data_2ke7_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 2ke7 _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 ' 815' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.585 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 816' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.87 117.47 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.885 0.374 . . . . 0.0 110.366 -177.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 174.47 -75.64 0.08 OUTLIER Glycine 0 CA--C 1.519 0.29 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 818' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 822' ' ' SER . 1.5 mt-30 -51.12 -35.75 37.07 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 819' ' ' TRP . . . . . 0.412 ' CZ2' ' HB2' ' A' ' 870' ' ' ALA . 30.0 t90 -55.52 -51.08 68.24 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.603 178.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 820' ' ' LEU . . . . . . . . . . . . . 27.4 mt -66.28 -41.55 89.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.126 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -64.96 -39.3 93.28 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.78 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 822' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 818' ' ' GLN . 50.4 m -55.0 -50.9 67.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.829 178.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 823' ' ' ILE . . . . . 0.591 ' O ' ' NH2' ' A' ' 866' ' ' ARG . 17.5 pt -75.5 1.67 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.884 177.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 61.69 43.59 99.06 Favored Glycine 0 CA--C 1.516 0.114 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . 0.442 ' N ' ' HD3' ' A' ' 826' ' ' PRO . 96.0 mt -130.27 62.69 65.86 Favored Pre-proline 0 C--O 1.235 0.326 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.424 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 826' ' ' PRO . . . . . 0.442 ' HD3' ' N ' ' A' ' 825' ' ' LEU . 27.6 Cg_exo -60.5 168.48 6.57 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 122.407 2.072 . . . . 0.0 111.387 178.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 827' ' ' GLN . . . . . 0.539 ' O ' ' ND1' ' A' ' 831' ' ' HIS . 62.2 mt-30 79.44 3.3 2.24 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.228 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 828' ' ' TYR . . . . . 0.573 ' OH ' ' ND1' ' A' ' 863' ' ' HIS . 9.0 m-30 -104.06 -3.89 23.97 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.11 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 829' ' ' GLU . . . . . 0.596 ' CD ' ' H ' ' A' ' 829' ' ' GLU . 0.0 OUTLIER -70.25 -55.19 9.87 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.004 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 830' ' ' ASN . . . . . 0.468 ' H ' ' CD ' ' A' ' 829' ' ' GLU . 11.0 m-80 -54.96 -41.47 71.17 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 831' ' ' HIS . . . . . 0.539 ' ND1' ' O ' ' A' ' 827' ' ' GLN . 20.8 m80 -55.57 -54.07 48.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.936 178.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 1.5 mp -55.76 -50.91 69.14 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 30.9 mmt -55.42 -48.06 74.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.096 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -55.46 -34.43 64.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.256 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.436 ' O ' ' ND2' ' A' ' 835' ' ' ASN . 0.1 OUTLIER -88.23 6.55 36.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.12 178.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 65.29 23.82 70.23 Favored Glycine 0 N--CA 1.454 -0.107 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 837' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -89.14 128.58 35.79 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -144.91 169.2 18.52 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.978 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 839' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 56.15 76.43 0.29 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.235 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 840' ' ' VAL . . . . . . . . . . . . . 34.2 m -45.83 -39.18 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.658 -179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 841' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 875' ' ' PRO . 54.0 tp60 -58.32 -58.9 6.46 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.179 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 842' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -50.27 -47.86 55.1 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 843' ' ' MET . . . . . 0.413 ' O ' ' N ' ' A' ' 847' ' ' VAL . 88.8 mtp -54.64 -56.59 17.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.195 178.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 844' ' ' GLY . . . . . 0.539 ' HA2' ' HB ' ' A' ' 871' ' ' ILE . . . -62.47 -14.3 48.47 Favored Glycine 0 CA--C 1.511 -0.159 0 N-CA-C 111.574 -0.61 . . . . 0.0 111.574 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.19 1.68 20.46 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.755 0.312 . . . . 0.0 110.338 179.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 846' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -131.59 -54.22 1.01 Allowed 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 843' ' ' MET . 1.2 p -108.26 119.23 57.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.092 0.472 . . . . 0.0 111.754 -177.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 848' ' ' MET . . . . . . . . . . . . . 11.6 mtt -139.48 101.55 4.26 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 176.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -167.18 154.8 9.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.562 -178.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 850' ' ' ASP . . . . . 0.486 ' OD1' ' NE ' ' A' ' 864' ' ' ARG . 35.6 t70 -71.51 -48.67 47.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.143 177.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -39.08 47.6 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.748 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.27 -41.56 93.55 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.212 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 29.7 mt -57.89 -42.2 84.18 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 176.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -41.28 95.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.337 176.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -51.82 -50.77 60.18 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.988 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 856' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.97 -13.58 17.14 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 95.73 17.25 36.38 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.665 -0.574 . . . . 0.0 111.665 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 858' ' ' ILE . . . . . . . . . . . . . 8.9 mm -74.66 98.14 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.96 -74.0 0.26 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.84 0.352 . . . . 0.0 111.353 -177.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 860' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -38.4 110.81 0.14 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.251 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 861' ' ' SER . . . . . 0.6 ' OG ' ' NH1' ' A' ' 864' ' ' ARG . 37.4 m -54.84 -38.08 66.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.701 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -54.46 -47.49 69.19 Favored Glycine 0 N--CA 1.451 -0.327 0 N-CA-C 108.939 -1.665 . . . . 0.0 108.939 176.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 863' ' ' HIS . . . . . 0.573 ' ND1' ' OH ' ' A' ' 828' ' ' TYR . 27.3 m170 -62.75 -49.03 76.64 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 864' ' ' ARG . . . . . 0.6 ' NH1' ' OG ' ' A' ' 861' ' ' SER . 19.8 mtm-85 -52.23 -52.12 54.27 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -56.82 -47.48 80.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.984 178.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 866' ' ' ARG . . . . . 0.591 ' NH2' ' O ' ' A' ' 823' ' ' ILE . 51.1 mtp180 -58.48 -48.22 81.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.043 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 5.8 mm -59.68 -44.83 94.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 12.4 tp -56.53 -47.01 80.29 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 869' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -66.72 -34.45 77.88 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.606 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 870' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 866' ' ' ARG . . . -59.06 -47.87 83.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.524 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.539 ' HB ' ' HA2' ' A' ' 844' ' ' GLY . 21.7 pt -67.66 -37.92 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 119.8 -0.76 . . . . 0.0 109.631 178.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -59.85 -32.4 70.65 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.796 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.86 -29.37 69.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.086 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 874' ' ' LEU . . . . . . . . . . . . . 61.8 mt -71.28 125.61 91.88 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.47 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 875' ' ' PRO . . . . . 0.49 ' O ' ' NE2' ' A' ' 841' ' ' GLN . 88.7 Cg_exo . . . . . 0 N--CA 1.495 1.571 0 C-N-CA 122.846 2.364 . . . . 0.0 112.099 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 815' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 817' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--O 1.236 0.354 0 CA-C-O 121.135 0.493 . . . . 0.0 110.935 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 816' ' ' VAL . . . . . . . . . . . . . 2.8 m -63.83 72.71 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.377 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 815' ' ' THR . . . -157.85 -78.03 0.02 OUTLIER Glycine 0 C--N 1.315 -0.588 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 818' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 822' ' ' SER . 0.0 OUTLIER -51.45 -43.17 62.0 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.305 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 819' ' ' TRP . . . . . 0.439 ' CH2' HG23 ' A' ' 871' ' ' ILE . 57.3 t90 -52.86 -57.03 11.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.45 176.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 820' ' ' LEU . . . . . . . . . . . . . 28.0 mt -54.75 -50.56 68.12 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.963 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.2 -30.39 64.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.092 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 822' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 818' ' ' GLN . 7.3 m -69.37 -51.03 40.64 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.999 177.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 823' ' ' ILE . . . . . 0.589 ' O ' ' NH1' ' A' ' 866' ' ' ARG . 0.0 OUTLIER -60.66 -34.75 59.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.567 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 110.73 31.81 2.85 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.654 176.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . 0.554 ' HB3' ' CG ' ' A' ' 863' ' ' HIS . 0.0 OUTLIER -145.6 86.06 7.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 117.437 0.619 . . . . 0.0 112.345 177.667 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 826' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -66.98 168.91 16.02 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.298 1.999 . . . . 0.0 110.662 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 827' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 71.37 27.14 3.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.179 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 828' ' ' TYR . . . . . 0.45 ' OH ' ' CG2' ' A' ' 858' ' ' ILE . 1.4 m-85 -104.39 -4.81 22.37 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 176.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 829' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -66.23 0.58 Allowed 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.906 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 830' ' ' ASN . . . . . 0.5 ' OD1' ' ND1' ' A' ' 831' ' ' HIS . 29.0 p-10 -45.56 -39.59 7.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.992 178.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 831' ' ' HIS . . . . . 0.5 ' ND1' ' OD1' ' A' ' 830' ' ' ASN . 70.3 m80 -63.59 -58.7 6.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.259 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 6.1 mp -59.44 -45.37 91.78 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.941 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 833' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 836' ' ' GLY . 32.4 mmt -57.23 -55.03 40.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.348 179.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -50.73 -52.27 41.99 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -62.54 -18.61 62.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.377 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 836' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 833' ' ' MET . . . 82.18 28.09 42.18 Favored Glycine 0 C--N 1.323 -0.179 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 837' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -96.84 82.53 3.28 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.964 0.411 . . . . 0.0 110.306 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 838' ' ' ASP . . . . . 0.403 ' CG ' ' N ' ' A' ' 839' ' ' ASN . 21.3 t70 -92.94 165.65 12.77 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.485 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 839' ' ' ASN . . . . . 0.403 ' N ' ' CG ' ' A' ' 838' ' ' ASP . 30.0 t-20 55.78 86.17 0.06 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.067 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 840' ' ' VAL . . . . . . . . . . . . . 31.3 m -45.85 -47.56 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.652 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 841' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -51.82 -54.54 27.7 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 842' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 846' ' ' ASN . 10.9 t80 -57.06 -49.36 76.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.641 178.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 843' ' ' MET . . . . . . . . . . . . . 6.2 ttt -46.75 -56.65 5.86 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.365 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 844' ' ' GLY . . . . . 0.496 ' CA ' ' HB ' ' A' ' 871' ' ' ILE . . . -63.7 -33.12 86.37 Favored Glycine 0 N--CA 1.459 0.223 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.4 m -88.91 8.34 29.83 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.675 0.274 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 846' ' ' ASN . . . . . 0.508 ' C ' HD21 ' A' ' 846' ' ' ASN . 0.3 OUTLIER -130.33 -52.54 1.1 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -178.668 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 1.4 p -150.63 129.78 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.158 -0.617 . . . . 0.0 112.051 -176.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 848' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.49 102.44 4.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.271 -0.877 . . . . 0.0 108.652 176.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.99 162.48 38.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.117 0.484 . . . . 0.0 111.826 -177.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 850' ' ' ASP . . . . . 0.508 ' OD1' ' NH1' ' A' ' 864' ' ' ARG . 4.5 t70 -70.72 -36.2 73.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.574 175.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -50.76 -40.27 54.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.033 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -60.57 -56.93 15.42 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.667 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 16.4 mt -55.29 -39.08 69.45 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.7 -48.57 74.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.563 176.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -49.23 -48.63 45.39 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.861 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 856' ' ' ILE . . . . . 0.518 HD13 HG22 ' A' ' 856' ' ' ILE . 0.0 OUTLIER -82.98 6.22 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.57 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 56.99 41.02 92.12 Favored Glycine 0 C--N 1.32 -0.358 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 858' ' ' ILE . . . . . 0.45 ' CG2' ' OH ' ' A' ' 828' ' ' TYR . 33.4 mm -67.14 133.15 31.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 31.4 mt -96.49 -74.42 0.56 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.844 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 860' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -41.75 103.11 0.03 OUTLIER 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.97 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.95 -37.78 72.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.493 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -57.92 -52.06 54.49 Favored Glycine 0 CA--C 1.508 -0.37 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 863' ' ' HIS . . . . . 0.554 ' CG ' ' HB3' ' A' ' 825' ' ' LEU . 2.6 m-70 -60.76 -39.71 89.77 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 177.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 864' ' ' ARG . . . . . 0.508 ' NH1' ' OD1' ' A' ' 850' ' ' ASP . 0.3 OUTLIER -55.28 -57.72 10.65 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.41 179.358 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -65.25 -36.12 83.14 Favored 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.437 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 866' ' ' ARG . . . . . 0.589 ' NH1' ' O ' ' A' ' 823' ' ' ILE . 0.3 OUTLIER -57.61 -54.27 48.78 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 177.269 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 4.1 mm -57.03 -53.3 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.273 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 7.1 tp -53.88 -53.06 57.87 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.688 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 869' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -66.14 -40.42 90.58 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.187 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 870' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 866' ' ' ARG . . . -59.67 -49.92 75.86 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.496 ' HB ' ' CA ' ' A' ' 844' ' ' GLY . 40.0 pt -61.12 -40.68 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 C-N-CA 119.57 -0.852 . . . . 0.0 109.368 178.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -64.85 -18.57 65.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.964 176.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.04 -0.85 57.81 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.603 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 874' ' ' LEU . . . . . 0.471 ' HB2' ' HD3' ' A' ' 875' ' ' PRO . 97.2 mt -84.72 -52.32 0.52 Allowed Pre-proline 0 C--N 1.325 -0.497 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.546 -179.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 875' ' ' PRO . . . . . 0.471 ' HD3' ' HB2' ' A' ' 874' ' ' LEU . 74.3 Cg_endo . . . . . 0 N--CA 1.494 1.504 0 C-N-CA 122.321 2.014 . . . . 0.0 112.713 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 815' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 817' ' ' GLY . 62.5 p . . . . . 0 C--O 1.241 0.614 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 816' ' ' VAL . . . . . . . . . . . . . 4.4 m -63.05 72.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.247 0.546 . . . . 0.0 110.276 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 815' ' ' THR . . . -158.17 -81.61 0.04 OUTLIER Glycine 0 C--N 1.319 -0.413 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -43.72 63.53 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 819' ' ' TRP . . . . . 0.422 ' CE3' ' CG1' ' A' ' 840' ' ' VAL . 36.8 t90 -49.95 -55.89 12.76 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.829 177.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 820' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 829' ' ' GLU . 16.6 mt -54.93 -46.03 74.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.708 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -59.43 -43.05 93.17 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 1.6 m -52.94 -37.59 61.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.212 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 823' ' ' ILE . . . . . 0.58 ' O ' ' NH2' ' A' ' 866' ' ' ARG . 12.2 pt -95.31 13.09 3.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.074 0.464 . . . . 0.0 110.423 177.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 58.63 41.94 95.92 Favored Glycine 0 N--CA 1.46 0.245 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.863 177.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 15.7 mt -119.36 70.1 11.59 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 121.248 0.547 . . . . 0.0 110.885 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 826' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.96 165.25 32.95 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.844 2.363 . . . . 0.0 111.856 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 827' ' ' GLN . . . . . 0.51 ' O ' ' ND1' ' A' ' 831' ' ' HIS . 50.5 mt-30 69.12 -3.86 1.41 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.556 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 828' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -102.72 -3.14 26.92 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.57 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 829' ' ' GLU . . . . . 0.554 ' CD ' ' H ' ' A' ' 829' ' ' GLU . 0.1 OUTLIER -71.75 -49.52 38.39 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.627 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 830' ' ' ASN . . . . . 0.413 ' N ' ' CG ' ' A' ' 829' ' ' GLU . 15.6 m-80 -59.96 -34.65 73.55 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.358 176.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 831' ' ' HIS . . . . . 0.51 ' ND1' ' O ' ' A' ' 827' ' ' GLN . 16.5 m80 -57.09 -57.84 10.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.751 178.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 832' ' ' LEU . . . . . 0.556 HD21 ' SD ' ' A' ' 843' ' ' MET . 4.9 mt -64.59 -43.38 94.03 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.144 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -52.34 65.47 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 834' ' ' ALA . . . . . 0.403 ' C ' ' H ' ' A' ' 836' ' ' GLY . . . -58.75 -42.8 89.69 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -67.78 -1.48 5.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.941 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 836' ' ' GLY . . . . . 0.403 ' H ' ' C ' ' A' ' 834' ' ' ALA . . . 58.73 26.72 60.61 Favored Glycine 0 N--CA 1.451 -0.34 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 837' ' ' PHE . . . . . 0.401 ' CE1' ' HG2' ' A' ' 843' ' ' MET . 0.1 OUTLIER -105.16 97.91 7.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.677 0.275 . . . . 0.0 110.46 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -109.89 176.56 5.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.135 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 839' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 70.03 80.63 0.17 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.571 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 840' ' ' VAL . . . . . 0.422 ' CG1' ' CE3' ' A' ' 819' ' ' TRP . 29.0 m -52.54 -35.62 20.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.828 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 841' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -62.31 -57.34 11.72 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 842' ' ' PHE . . . . . 0.44 ' CD2' ' ND2' ' A' ' 846' ' ' ASN . 6.7 t80 -54.36 -45.42 72.76 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.442 178.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 843' ' ' MET . . . . . 0.556 ' SD ' HD21 ' A' ' 832' ' ' LEU . 10.6 mtp -55.43 -57.04 13.52 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.553 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 844' ' ' GLY . . . . . . . . . . . . . . . -57.29 -32.01 63.21 Favored Glycine 0 CA--C 1.507 -0.408 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.09 22.29 8.69 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 120.655 0.264 . . . . 0.0 111.187 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 846' ' ' ASN . . . . . 0.44 ' ND2' ' CD2' ' A' ' 842' ' ' PHE . 4.4 m-80 -129.85 -55.72 1.13 Allowed 'General case' 0 CA--C 1.507 -0.675 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.671 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 14.9 p -154.5 127.05 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 C-N-CA 120.556 -0.457 . . . . 0.0 111.354 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 848' ' ' MET . . . . . . . . . . . . . 5.3 ptp -141.0 101.45 4.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.243 176.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 849' ' ' GLU . . . . . 0.465 ' N ' ' OD2' ' A' ' 852' ' ' ASP . 12.2 mt-10 -158.28 -172.35 3.84 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.103 0.478 . . . . 0.0 110.399 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 850' ' ' ASP . . . . . 0.53 ' HA ' ' CD ' ' A' ' 864' ' ' ARG . 20.0 p-10 -73.6 -54.94 7.0 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.081 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -48.39 -54.66 13.2 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.949 -177.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 852' ' ' ASP . . . . . 0.465 ' OD2' ' N ' ' A' ' 849' ' ' GLU . 0.0 OUTLIER -57.72 -53.06 62.45 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 120.7 0.286 . . . . 0.0 110.695 -178.484 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.402 ' CD1' ' HA ' ' A' ' 864' ' ' ARG . 40.8 mt -56.99 -41.15 77.91 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -47.24 77.38 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.589 177.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.08 -48.21 17.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.024 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 856' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.82 -34.8 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.04 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 95.16 43.22 3.55 Favored Glycine 0 CA--C 1.519 0.288 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 858' ' ' ILE . . . . . . . . . . . . . 4.2 mm -75.53 151.67 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -96.48 -74.58 0.56 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.556 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 860' ' ' ASN . . . . . 0.621 ' O ' ' ND1' ' A' ' 863' ' ' HIS . 29.5 t-20 -50.54 101.53 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.681 -178.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -45.28 -34.43 2.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -53.27 -27.8 33.08 Favored Glycine 0 C--N 1.322 -0.225 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 863' ' ' HIS . . . . . 0.621 ' ND1' ' O ' ' A' ' 860' ' ' ASN . 40.6 p-80 -48.43 -46.1 37.2 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-O 120.593 0.235 . . . . 0.0 110.749 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 864' ' ' ARG . . . . . 0.53 ' CD ' ' HA ' ' A' ' 850' ' ' ASP . 0.3 OUTLIER -51.67 -57.28 9.65 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.713 -178.715 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -49.76 71.19 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.327 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 866' ' ' ARG . . . . . 0.58 ' NH2' ' O ' ' A' ' 823' ' ' ILE . 16.5 mmm180 -58.75 -51.88 68.08 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.661 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . 0.439 ' O ' HG12 ' A' ' 871' ' ' ILE . 1.9 mm -64.36 -55.0 24.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.36 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 868' ' ' LEU . . . . . 0.426 ' HG ' ' H ' ' A' ' 869' ' ' GLN . 1.1 pp -52.83 -46.21 67.67 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.433 -177.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 869' ' ' GLN . . . . . 0.426 ' H ' ' HG ' ' A' ' 868' ' ' LEU . 68.8 mt-30 -63.87 -41.7 97.69 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.637 176.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 870' ' ' ALA . . . . . . . . . . . . . . . -59.74 -49.74 76.55 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.11 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 867' ' ' ILE . 0.1 OUTLIER -67.47 -42.15 86.82 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.327 179.214 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -52.94 -29.72 30.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 0.0 110.362 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.33 -20.26 44.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.356 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 874' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.31 154.91 89.44 Favored Pre-proline 0 N--CA 1.466 0.368 0 CA-C-O 120.635 0.255 . . . . 0.0 111.029 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo . . . . . 0 N--CA 1.492 1.42 0 C-N-CA 122.413 2.076 . . . . 0.0 111.28 178.784 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.239 0.531 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 816' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -60.04 164.34 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 76.25 -68.95 2.3 Favored Glycine 0 C--N 1.314 -0.68 0 N-CA-C 108.714 -1.754 . . . . 0.0 108.714 -175.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -52.45 -39.75 61.43 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 175.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 24.9 t90 -59.69 -55.17 37.69 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.763 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 820' ' ' LEU . . . . . . . . . . . . . 83.1 mt -54.82 -44.56 73.96 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.943 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -62.42 -48.22 80.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.49 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 39.2 m -52.86 -51.04 62.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.362 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 823' ' ' ILE . . . . . 0.445 HD12 HG23 ' A' ' 823' ' ' ILE . 27.6 pt -74.09 -0.03 2.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.033 0.444 . . . . 0.0 110.549 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 64.88 38.58 95.71 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 54.1 mt -132.91 63.45 67.18 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.95 0.405 . . . . 0.0 110.559 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 826' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -69.09 169.23 18.54 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.652 2.235 . . . . 0.0 111.585 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 827' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 73.49 28.95 1.66 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.425 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 828' ' ' TYR . . . . . 0.522 ' OH ' ' ND1' ' A' ' 863' ' ' HIS . 14.8 m-85 -126.2 -4.39 6.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.452 177.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 829' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.35 -61.11 2.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.788 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -45.62 -46.54 14.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.938 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 831' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -64.28 -49.26 72.52 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.218 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 832' ' ' LEU . . . . . 0.494 ' HG ' ' CD2' ' A' ' 837' ' ' PHE . 1.2 mp -54.35 -52.18 62.39 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 28.5 mtp -60.31 -52.85 63.51 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.045 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -49.42 -51.23 36.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.478 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -65.82 -28.44 68.99 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.274 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 103.09 34.85 3.84 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 837' ' ' PHE . . . . . 0.494 ' CD2' ' HG ' ' A' ' 832' ' ' LEU . 4.3 m-85 -68.74 99.82 1.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 838' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 839' ' ' ASN . 6.4 t70 -71.18 176.58 4.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.191 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 839' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 838' ' ' ASP . 47.2 t-20 -31.48 116.82 0.18 Allowed 'General case' 0 C--O 1.237 0.432 0 CA-C-O 120.845 0.355 . . . . 0.0 110.526 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 840' ' ' VAL . . . . . . . . . . . . . 34.9 m -45.91 -39.84 3.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.883 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 841' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -60.11 -47.61 85.17 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 842' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 846' ' ' ASN . 11.4 t80 -60.9 -51.71 68.14 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 176.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 843' ' ' MET . . . . . 0.455 ' HE3' ' CE2' ' A' ' 837' ' ' PHE . 29.8 mmm -49.75 -55.96 12.04 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.135 178.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 844' ' ' GLY . . . . . . . . . . . . . . . -56.4 -28.2 54.91 Favored Glycine 0 CA--C 1.51 -0.235 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.3 m -102.35 13.62 34.12 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.715 0.293 . . . . 0.0 110.58 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 846' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 842' ' ' PHE . 9.8 t-20 -126.23 -54.37 1.48 Allowed 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.996 -177.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 13.4 p -152.72 140.76 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.314 -0.554 . . . . 0.0 112.053 -178.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 848' ' ' MET . . . . . . . . . . . . . 3.9 ptm -140.31 103.48 4.59 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.553 176.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 849' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' A' ' 853' ' ' LEU . 0.1 OUTLIER -150.71 166.72 29.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.759 -178.449 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 850' ' ' ASP . . . . . 0.472 ' OD1' ' NH2' ' A' ' 864' ' ' ARG . 0.0 OUTLIER -71.77 -46.17 59.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.235 178.851 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 851' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 855' ' ' GLU . 46.0 mm-40 -48.68 -47.99 40.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.481 -177.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.65 -49.95 73.5 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.222 0.534 . . . . 0.0 110.107 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 849' ' ' GLU . 11.2 mt -64.36 -50.93 65.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.666 178.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.31 -39.2 66.76 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 855' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 851' ' ' GLN . 0.3 OUTLIER -54.31 -48.27 71.53 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.325 178.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 856' ' ' ILE . . . . . . . . . . . . . 8.7 pt -74.72 7.89 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.387 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 855' ' ' GLU . . . 61.77 43.11 99.68 Favored Glycine 0 C--O 1.234 0.13 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.026 177.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 858' ' ' ILE . . . . . . . . . . . . . 7.9 mm -50.91 122.71 2.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . 0.418 ' CD1' ' HH ' ' A' ' 828' ' ' TYR . 42.3 mt -39.65 -73.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -176.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 860' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -123.34 177.18 5.72 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.32 0.581 . . . . 0.0 112.194 -177.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 3.3 m -61.61 -39.21 90.44 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.655 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -53.24 -51.39 47.25 Favored Glycine 0 N--CA 1.454 -0.137 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 863' ' ' HIS . . . . . 0.522 ' ND1' ' OH ' ' A' ' 828' ' ' TYR . 22.2 m170 -58.69 -50.74 72.75 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 176.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 864' ' ' ARG . . . . . 0.472 ' NH2' ' OD1' ' A' ' 850' ' ' ASP . 0.0 OUTLIER -52.51 -54.91 26.29 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.448 178.262 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 865' ' ' GLN . . . . . 0.552 ' OE1' ' NE ' ' A' ' 866' ' ' ARG . 7.8 tm0? -55.62 -50.29 70.54 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.466 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 866' ' ' ARG . . . . . 0.564 ' NH2' ' OE1' ' A' ' 869' ' ' GLN . 0.0 OUTLIER -58.84 -52.61 65.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.64 -179.651 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 3.7 mm -57.13 -47.18 84.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 7.4 tp -59.14 -49.59 77.3 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.212 0.53 . . . . 0.0 109.916 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 869' ' ' GLN . . . . . 0.564 ' OE1' ' NH2' ' A' ' 866' ' ' ARG . 6.1 mt-30 -61.4 -40.19 93.5 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.969 178.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 870' ' ' ALA . . . . . . . . . . . . . . . -59.0 -49.56 77.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.774 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 46.6 pt -67.2 -37.65 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 120.059 -0.656 . . . . 0.0 109.885 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -62.37 -39.63 93.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.18 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -67.34 -30.98 70.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.094 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 874' ' ' LEU . . . . . . . . . . . . . 76.2 mt -55.78 111.98 3.76 Favored Pre-proline 0 N--CA 1.465 0.293 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.56 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo . . . . . 0 N--CA 1.494 1.513 0 C-N-CA 122.254 1.969 . . . . 0.0 111.15 179.176 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 815' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 817' ' ' GLY . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.705 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 816' ' ' VAL . . . . . . . . . . . . . 5.4 m -63.21 71.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-O 121.442 0.639 . . . . 0.0 110.294 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 815' ' ' THR . . . -158.5 -74.59 0.02 OUTLIER Glycine 0 C--N 1.308 -0.984 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -45.98 64.39 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 175.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 819' ' ' TRP . . . . . 0.475 ' CZ2' ' HB3' ' A' ' 870' ' ' ALA . 11.3 t90 -52.99 -62.47 1.63 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.578 176.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 820' ' ' LEU . . . . . 0.443 ' HB3' ' O ' ' A' ' 825' ' ' LEU . 64.5 mt -54.52 -47.61 72.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.986 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -56.99 -46.98 81.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.335 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 8.2 m -52.78 -51.45 60.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.508 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 823' ' ' ILE . . . . . . . . . . . . . 9.2 pt -75.42 -11.32 14.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.926 0.393 . . . . 0.0 111.025 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 81.79 33.57 26.97 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . 0.463 ' N ' ' CD ' ' A' ' 826' ' ' PRO . 61.5 mt -123.82 51.2 3.99 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 120.842 0.353 . . . . 0.0 110.577 178.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 826' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 825' ' ' LEU . 25.0 Cg_endo -62.94 169.15 9.37 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.719 2.28 . . . . 0.0 112.116 -179.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 827' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 63.94 20.86 12.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.934 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 828' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -104.51 -2.67 24.93 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 829' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.53 -76.2 0.03 OUTLIER 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.26 -178.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -46.68 -37.09 7.82 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.582 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 831' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -63.01 -58.07 8.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.485 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 1.7 mp -61.45 -51.52 68.34 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.036 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 14.1 mtm -54.7 -46.88 74.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.587 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -55.99 -36.12 67.54 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 120.996 0.427 . . . . 0.0 109.941 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.467 ' HB3' ' CD2' ' A' ' 837' ' ' PHE . 2.0 t30 -81.13 5.77 15.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.733 178.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 80.42 -1.08 83.21 Favored Glycine 0 CA--C 1.518 0.257 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 837' ' ' PHE . . . . . 0.467 ' CD2' ' HB3' ' A' ' 835' ' ' ASN . 20.2 m-85 -71.19 54.65 0.19 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.081 0.467 . . . . 0.0 110.481 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 838' ' ' ASP . . . . . 0.416 ' CG ' ' N ' ' A' ' 839' ' ' ASN . 1.6 t70 -83.27 161.66 21.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.113 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 839' ' ' ASN . . . . . 0.416 ' N ' ' CG ' ' A' ' 838' ' ' ASP . 16.2 t-20 53.35 82.37 0.08 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.096 0.474 . . . . 0.0 110.603 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 840' ' ' VAL . . . . . 0.421 ' CG1' ' CE3' ' A' ' 819' ' ' TRP . 34.8 m -45.21 -49.44 3.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.925 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 841' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -58.06 7.6 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.314 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 842' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 846' ' ' ASN . 0.2 OUTLIER -59.87 -48.08 83.13 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.894 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 843' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -51.67 -56.08 15.77 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.549 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 844' ' ' GLY . . . . . . . . . . . . . . . -57.9 -42.83 94.93 Favored Glycine 0 CA--C 1.507 -0.429 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.1 m -84.29 13.22 5.53 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 120.825 0.345 . . . . 0.0 110.446 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 846' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 842' ' ' PHE . 8.3 t30 -112.32 -53.73 2.68 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.858 -178.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 10.7 p -152.59 142.79 15.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.964 0.412 . . . . 0.0 111.115 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 848' ' ' MET . . . . . . . . . . . . . 3.0 mtt -135.24 102.29 5.12 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 849' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 852' ' ' ASP . 36.0 mm-40 -157.1 136.71 12.26 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 850' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -45.0 -26.6 0.45 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.849 0.357 . . . . 0.0 111.292 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -26.1 50.09 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.505 179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 852' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 853' ' ' LEU . 9.4 p30 -56.03 -62.82 1.44 Allowed 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.221 0.534 . . . . 0.0 110.91 -178.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.525 ' CD1' ' HA ' ' A' ' 864' ' ' ARG . 9.4 mt -67.33 -25.85 66.21 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.82 178.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.43 -39.34 91.99 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.4 -53.68 55.43 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.093 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 856' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -9.34 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.94 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 78.19 39.13 24.04 Favored Glycine 0 CA--C 1.522 0.527 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.208 177.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 858' ' ' ILE . . . . . . . . . . . . . 18.9 mm -81.38 120.74 33.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 43.9 mt -96.01 -11.61 26.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.461 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 860' ' ' ASN . . . . . 0.589 ' O ' ' CD2' ' A' ' 863' ' ' HIS . 15.1 t-20 -62.75 162.5 10.75 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 1.3 m -94.19 -52.87 4.18 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.179 0.514 . . . . 0.0 111.312 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -53.88 -43.75 71.1 Favored Glycine 0 CA--C 1.523 0.537 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.843 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 863' ' ' HIS . . . . . 0.662 ' CD2' ' H ' ' A' ' 864' ' ' ARG . 1.4 p80 -39.27 -46.88 1.6 Allowed 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.774 0.287 . . . . 0.0 111.276 -177.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 864' ' ' ARG . . . . . 0.662 ' H ' ' CD2' ' A' ' 863' ' ' HIS . 0.1 OUTLIER -54.73 -55.69 27.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.962 0.411 . . . . 0.0 110.286 179.414 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 865' ' ' GLN . . . . . 0.425 ' O ' ' HG ' ' A' ' 868' ' ' LEU . 11.1 mm100 -61.51 -50.07 74.18 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.259 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 866' ' ' ARG . . . . . 0.491 ' NE ' ' OE1' ' A' ' 869' ' ' GLN . 12.4 mmp_? -60.01 -51.98 67.33 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.022 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . 0.434 ' O ' HG12 ' A' ' 871' ' ' ILE . 7.4 mm -59.82 -46.81 93.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.813 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 868' ' ' LEU . . . . . 0.55 ' HG ' ' N ' ' A' ' 869' ' ' GLN . 0.3 OUTLIER -54.43 -45.25 72.98 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.094 -0.643 . . . . 0.0 109.449 178.643 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 869' ' ' GLN . . . . . 0.55 ' N ' ' HG ' ' A' ' 868' ' ' LEU . 27.8 mt-30 -64.54 -39.84 94.49 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.286 176.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 870' ' ' ALA . . . . . 0.475 ' HB3' ' CZ2' ' A' ' 819' ' ' TRP . . . -58.9 -49.21 78.66 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.629 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.44 ' O ' ' CD ' ' A' ' 875' ' ' PRO . 18.0 pt -68.07 -45.14 83.95 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.915 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -53.92 -29.03 40.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.398 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.44 -16.75 60.86 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.38 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 874' ' ' LEU . . . . . 0.542 ' HB2' ' HD3' ' A' ' 875' ' ' PRO . 32.9 mt -76.86 -54.03 1.71 Allowed Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -177.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 875' ' ' PRO . . . . . 0.542 ' HD3' ' HB2' ' A' ' 874' ' ' LEU . 32.9 Cg_exo . . . . . 0 N--CA 1.495 1.583 0 C-N-CA 121.721 1.614 . . . . 0.0 111.316 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.445 -0.714 0 CA-C-O 120.766 0.317 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 816' ' ' VAL . . . . . . . . . . . . . 6.4 m -63.65 173.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.339 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . 0.576 ' H ' ' CD1' ' A' ' 820' ' ' LEU . . . 79.24 -75.85 2.02 Favored Glycine 0 C--O 1.224 -0.486 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 -177.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.69 -51.02 62.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.303 0.573 . . . . 0.0 109.677 177.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 819' ' ' TRP . . . . . 0.488 ' CE3' ' CG1' ' A' ' 840' ' ' VAL . 67.4 t90 -58.53 -53.49 57.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.6 178.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 820' ' ' LEU . . . . . 0.576 ' CD1' ' H ' ' A' ' 817' ' ' GLY . 13.5 mt -54.46 -51.31 65.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.515 178.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -56.8 -48.38 78.09 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.829 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 22.3 m -52.85 -48.72 66.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.885 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 823' ' ' ILE . . . . . . . . . . . . . 44.3 pt -73.84 -1.52 2.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.943 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 91.44 28.47 14.55 Favored Glycine 0 CA--C 1.519 0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.134 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 99.2 mt -123.19 71.17 44.16 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.964 0.382 . . . . 0.0 111.338 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 826' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 827' ' ' GLN . 54.4 Cg_endo -73.19 147.36 42.35 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.167 1.911 . . . . 0.0 110.882 178.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 827' ' ' GLN . . . . . 0.456 ' O ' ' ND1' ' A' ' 831' ' ' HIS . 0.0 OUTLIER 83.31 17.28 0.27 Allowed 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.035 0.445 . . . . 0.0 110.706 -179.107 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 828' ' ' TYR . . . . . 0.474 ' HB3' HD13 ' A' ' 820' ' ' LEU . 9.3 m-85 -104.51 -4.89 22.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.029 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 829' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -63.88 -73.91 0.11 Allowed 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.303 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -45.0 -34.36 2.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.959 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 831' ' ' HIS . . . . . 0.456 ' ND1' ' O ' ' A' ' 827' ' ' GLN . 24.1 m80 -64.15 -57.67 8.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.809 178.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 5.8 mp -68.81 -35.99 77.68 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.166 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 39.7 mtm -60.28 -56.71 18.25 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.149 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -55.99 -44.79 78.91 Favored 'General case' 0 CA--C 1.511 -0.558 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 177.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -64.78 -9.24 18.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.241 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 61.75 35.37 91.15 Favored Glycine 0 C--O 1.235 0.196 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 837' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -107.63 50.22 0.78 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.134 0.492 . . . . 0.0 110.696 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -77.59 176.21 9.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.026 178.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 839' ' ' ASN . . . . . . . . . . . . . 7.0 t30 54.24 65.71 1.43 Allowed 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.352 0.596 . . . . 0.0 109.655 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 840' ' ' VAL . . . . . 0.488 ' CG1' ' CE3' ' A' ' 819' ' ' TRP . 16.5 m -44.93 -28.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.361 -176.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 841' ' ' GLN . . . . . 0.546 ' CD ' ' H ' ' A' ' 841' ' ' GLN . 0.0 OUTLIER -52.23 -41.43 62.76 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.805 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 842' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' A' ' 846' ' ' ASN . 16.3 m-30 -62.27 -49.3 76.21 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.481 177.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 843' ' ' MET . . . . . . . . . . . . . 82.5 mtp -49.21 -56.6 8.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.218 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 844' ' ' GLY . . . . . 0.42 ' CA ' ' HB ' ' A' ' 871' ' ' ILE . . . -56.47 -33.94 62.95 Favored Glycine 0 N--CA 1.458 0.153 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.5 m -89.32 -9.98 48.47 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.517 0.198 . . . . 0.0 111.353 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 846' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 842' ' ' PHE . 7.6 t30 -105.65 -54.71 2.44 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -177.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 3.5 p -152.88 138.37 11.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 C-N-CA 120.541 -0.464 . . . . 0.0 111.391 -177.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 848' ' ' MET . . . . . . . . . . . . . 9.3 ptp -140.06 100.94 4.04 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.843 176.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -179.0 -161.69 0.04 OUTLIER 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.944 0.402 . . . . 0.0 111.239 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 850' ' ' ASP . . . . . 0.516 ' HA ' ' CD ' ' A' ' 864' ' ' ARG . 3.2 m-20 -72.81 -50.86 21.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.165 -178.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -47.36 -37.81 11.84 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.685 -176.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.95 -61.95 2.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.126 0.488 . . . . 0.0 110.526 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.559 ' CD1' ' HA ' ' A' ' 864' ' ' ARG . 21.1 mt -64.03 -38.27 90.45 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.816 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.71 -47.08 74.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.386 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -53.05 -52.91 57.0 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.968 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 856' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.21 -15.55 16.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.194 178.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 80.91 31.47 35.39 Favored Glycine 0 C--O 1.237 0.296 0 N-CA-C 111.816 -0.514 . . . . 0.0 111.816 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 858' ' ' ILE . . . . . 0.44 HG23 HD12 ' A' ' 858' ' ' ILE . 23.4 mm -75.67 104.87 4.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.143 178.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 35.7 mt -79.43 -11.16 59.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.016 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 860' ' ' ASN . . . . . 0.507 ' O ' ' CD2' ' A' ' 863' ' ' HIS . 32.3 m120 -51.88 160.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.283 -178.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.13 -52.7 4.44 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.048 0.451 . . . . 0.0 111.71 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 862' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 863' ' ' HIS . . . -76.87 -32.49 49.57 Favored Glycine 0 N--CA 1.467 0.744 0 CA-C-N 116.168 -0.469 . . . . 0.0 113.058 -175.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 863' ' ' HIS . . . . . 0.529 ' CD2' ' H ' ' A' ' 864' ' ' ARG . 1.8 p80 -34.18 -46.76 0.26 Allowed 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 117.045 0.422 . . . . 0.0 111.605 -177.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 864' ' ' ARG . . . . . 0.559 ' HA ' ' CD1' ' A' ' 853' ' ' LEU . 4.7 mmm180 -51.75 -56.71 12.2 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 120.92 0.39 . . . . 0.0 110.532 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -60.71 -49.46 77.42 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.468 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 866' ' ' ARG . . . . . 0.539 ' NH2' ' OE1' ' A' ' 869' ' ' GLN . 1.4 mmp_? -58.39 -46.59 86.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.586 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . 0.439 ' O ' HG12 ' A' ' 871' ' ' ILE . 8.9 mm -65.14 -48.81 82.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.812 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.75 -55.57 25.13 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.833 0.349 . . . . 0.0 111.144 -177.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 869' ' ' GLN . . . . . 0.539 ' OE1' ' NH2' ' A' ' 866' ' ' ARG . 1.4 pt20 -61.39 -43.28 99.15 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.143 0.497 . . . . 0.0 109.977 179.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 870' ' ' ALA . . . . . 0.457 ' HB3' ' CZ2' ' A' ' 819' ' ' TRP . . . -59.92 -49.79 76.32 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.601 -178.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 867' ' ' ILE . 18.8 pt -67.64 -42.63 86.73 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 C-N-CA 119.887 -0.725 . . . . 0.0 110.702 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -56.19 -30.55 62.42 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -73.73 -4.19 33.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.951 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 874' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 871' ' ' ILE . 58.1 mt -90.74 130.21 41.78 Favored Pre-proline 0 C--N 1.326 -0.437 0 C-N-CA 121.034 -0.267 . . . . 0.0 110.306 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo . . . . . 0 N--CA 1.494 1.539 0 C-N-CA 122.37 2.047 . . . . 0.0 111.338 178.835 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.458 0.171 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 816' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 818' ' ' GLN . 17.5 m -62.14 -118.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.924 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . 0.433 ' H ' ' CG2' ' A' ' 816' ' ' VAL . . . 50.87 -85.55 0.01 OUTLIER Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 818' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 816' ' ' VAL . 19.4 mp0 -52.39 -39.53 60.96 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.857 0.36 . . . . 0.0 110.271 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 819' ' ' TRP . . . . . 0.436 ' CE3' HG11 ' A' ' 840' ' ' VAL . 44.5 t90 -57.94 -50.58 72.9 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 820' ' ' LEU . . . . . 0.423 ' CD1' ' HB3' ' A' ' 828' ' ' TYR . 13.8 mt -58.25 -43.16 87.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.605 177.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -62.1 -42.44 99.23 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.596 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 6.1 m -57.28 -46.0 83.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.219 178.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 823' ' ' ILE . . . . . 0.59 ' O ' ' NH2' ' A' ' 866' ' ' ARG . 28.6 pt -82.88 12.77 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.099 0.476 . . . . 0.0 110.113 177.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 824' ' ' GLY . . . . . 0.405 ' C ' ' HD3' ' A' ' 826' ' ' PRO . . . 54.55 47.21 71.07 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 13.3 mt -123.34 66.14 32.65 Favored Pre-proline 0 C--N 1.33 -0.27 0 O-C-N 122.673 -0.31 . . . . 0.0 111.573 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 826' ' ' PRO . . . . . 0.405 ' HD3' ' C ' ' A' ' 824' ' ' GLY . 35.6 Cg_exo -56.32 168.59 1.97 Allowed 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.369 2.046 . . . . 0.0 111.319 176.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 827' ' ' GLN . . . . . 0.566 ' O ' ' ND1' ' A' ' 831' ' ' HIS . 84.7 mm-40 65.08 20.24 11.99 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.592 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 828' ' ' TYR . . . . . 0.429 ' CE2' ' HB3' ' A' ' 863' ' ' HIS . 0.6 OUTLIER -112.77 -5.33 13.91 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 178.08 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 829' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -71.11 -77.43 0.09 Allowed 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.256 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -46.29 -35.47 5.33 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 831' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' A' ' 827' ' ' GLN . 2.6 m80 -57.68 -57.55 12.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.089 178.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 3.2 mp -69.63 -41.71 75.27 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.162 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 5.6 tpp -58.25 -55.44 34.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.964 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -57.32 -39.62 76.21 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -73.2 2.08 8.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.097 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 55.16 35.4 59.87 Favored Glycine 0 N--CA 1.452 -0.259 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 837' ' ' PHE . . . . . 0.404 ' CE1' ' HG3' ' A' ' 843' ' ' MET . 0.2 OUTLIER -103.59 102.94 12.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.775 0.322 . . . . 0.0 111.079 -179.14 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 838' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' A' ' 839' ' ' ASN . 9.4 p-10 -139.02 113.58 9.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.934 177.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 839' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 838' ' ' ASP . 37.2 p30 141.47 59.82 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.148 0.979 . . . . 0.0 109.799 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 840' ' ' VAL . . . . . 0.436 HG11 ' CE3' ' A' ' 819' ' ' TRP . 34.5 m -45.72 -45.91 4.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.252 -178.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 841' ' ' GLN . . . . . 0.423 ' NE2' ' OG ' ' A' ' 845' ' ' SER . 11.1 tm0? -52.8 -53.0 54.66 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 842' ' ' PHE . . . . . 0.485 ' O ' ' N ' ' A' ' 846' ' ' ASN . 93.2 t80 -61.65 -48.51 80.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.259 177.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 843' ' ' MET . . . . . 0.5 ' SD ' HG22 ' A' ' 871' ' ' ILE . 13.3 ttt -45.52 -55.86 5.75 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.036 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 844' ' ' GLY . . . . . 0.442 ' CA ' ' HB ' ' A' ' 871' ' ' ILE . . . -68.68 -31.22 73.08 Favored Glycine 0 C--N 1.32 -0.329 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 845' ' ' SER . . . . . 0.423 ' OG ' ' NE2' ' A' ' 841' ' ' GLN . 26.6 m -92.03 8.9 35.59 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 846' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 842' ' ' PHE . 19.2 t-20 -129.31 -56.55 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.75 -0.78 . . . . 0.0 112.67 -177.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 11.3 p -154.96 148.27 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.081 -0.647 . . . . 0.0 112.32 -178.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 848' ' ' MET . . . . . 0.444 ' SD ' ' NE2' ' A' ' 872' ' ' GLN . 0.0 OUTLIER -125.98 101.75 6.95 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 173.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -121.44 120.5 35.13 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.054 0.455 . . . . 0.0 112.072 -175.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 850' ' ' ASP . . . . . 0.519 ' OD1' ' NH1' ' A' ' 864' ' ' ARG . 10.4 t70 -63.65 -35.16 79.63 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 175.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -53.05 -49.79 65.61 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.799 179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -43.68 79.02 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 120.914 0.388 . . . . 0.0 110.016 -179.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 11.6 mt -59.83 -38.36 81.81 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 2.2 mp -72.19 -44.38 63.1 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.585 177.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -50.74 -52.8 37.02 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.213 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 856' ' ' ILE . . . . . 0.447 ' CG1' HG12 ' A' ' 858' ' ' ILE . 6.4 pt -69.16 -18.62 22.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 121.087 0.47 . . . . 0.0 109.919 177.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 96.45 40.84 3.82 Favored Glycine 0 CA--C 1.53 1.023 0 CA-C-N 115.904 -0.589 . . . . 0.0 113.533 175.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 858' ' ' ILE . . . . . 0.447 HG12 ' CG1' ' A' ' 856' ' ' ILE . 44.3 mm -79.35 115.89 22.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 175.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.71 -75.71 0.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -177.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 860' ' ' ASN . . . . . 0.516 HD22 ' CE1' ' A' ' 863' ' ' HIS . 2.0 p-10 -55.0 105.03 0.14 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.857 0.36 . . . . 0.0 110.998 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 861' ' ' SER . . . . . 0.594 ' OG ' ' NH2' ' A' ' 864' ' ' ARG . 43.0 m -45.99 -26.63 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.055 -178.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -53.22 -37.68 55.22 Favored Glycine 0 C--O 1.226 -0.375 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 177.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 863' ' ' HIS . . . . . 0.516 ' CE1' HD22 ' A' ' 860' ' ' ASN . 0.3 OUTLIER -68.66 -36.9 79.17 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 176.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 864' ' ' ARG . . . . . 0.594 ' NH2' ' OG ' ' A' ' 861' ' ' SER . 74.4 mtm180 -68.9 -53.54 20.54 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 177.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -57.26 -50.25 73.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.003 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 866' ' ' ARG . . . . . 0.59 ' NH2' ' O ' ' A' ' 823' ' ' ILE . 68.8 mtp85 -58.03 -48.92 78.62 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.429 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 10.5 mm -57.9 -52.69 54.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.495 -0.482 . . . . 0.0 109.957 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.03 -54.08 44.2 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 869' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -58.93 -44.58 91.37 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.483 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 870' ' ' ALA . . . . . . . . . . . . . . . -58.84 -49.28 78.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.705 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.5 HG22 ' SD ' ' A' ' 843' ' ' MET . 48.0 pt -67.59 -42.58 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 120.021 -0.672 . . . . 0.0 110.418 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 872' ' ' GLN . . . . . 0.444 ' NE2' ' SD ' ' A' ' 848' ' ' MET . 69.4 mt-30 -55.88 -38.45 70.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.361 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -78.25 -17.78 56.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.86 -178.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 874' ' ' LEU . . . . . 0.432 ' CD1' ' HA ' ' A' ' 871' ' ' ILE . 58.2 mt -55.98 147.9 41.77 Favored Pre-proline 0 N--CA 1.469 0.479 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.069 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo . . . . . 0 C--N 1.312 -1.392 0 C-N-CA 122.533 2.156 . . . . 0.0 111.616 -179.746 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.448 -0.562 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 816' ' ' VAL . . . . . . . . . . . . . 3.1 m -59.58 101.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.434 0.635 . . . . 0.0 110.814 -176.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . -173.57 -91.73 0.08 OUTLIER Glycine 0 CA--C 1.52 0.37 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 818' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 822' ' ' SER . 9.7 mp0 -51.31 -29.03 13.68 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 120.987 0.423 . . . . 0.0 110.005 178.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -57.98 -54.57 45.42 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.683 178.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 820' ' ' LEU . . . . . . . . . . . . . 5.8 mt -55.03 -38.54 68.09 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.823 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -67.33 -46.0 74.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.349 176.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 822' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 818' ' ' GLN . 9.1 m -53.01 -51.24 62.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.053 178.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 823' ' ' ILE . . . . . 0.578 ' O ' ' NH2' ' A' ' 866' ' ' ARG . 6.2 pt -76.4 -12.5 14.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.092 178.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 66.05 46.27 81.92 Favored Glycine 0 N--CA 1.453 -0.227 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 28.6 mt -129.69 58.27 36.58 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 120.641 0.258 . . . . 0.0 111.175 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 826' ' ' PRO . . . . . 0.481 ' O ' ' HB3' ' A' ' 827' ' ' GLN . 35.6 Cg_endo -67.46 122.57 9.81 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.044 1.83 . . . . 0.0 111.045 179.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 827' ' ' GLN . . . . . 0.481 ' HB3' ' O ' ' A' ' 826' ' ' PRO . 0.7 OUTLIER 152.24 -16.97 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.497 0.719 . . . . 0.0 110.418 179.466 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 828' ' ' TYR . . . . . 0.441 ' CZ ' ' HG3' ' A' ' 827' ' ' GLN . 38.8 m-85 -105.54 -2.62 23.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.635 -177.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 829' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -45.48 -72.49 0.06 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.032 0.444 . . . . 0.0 110.576 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -36.36 71.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.978 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 831' ' ' HIS . . . . . 0.605 ' NE2' ' O ' ' A' ' 856' ' ' ILE . 2.8 t-160 -53.73 -57.46 10.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.329 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 6.3 mp -62.37 -49.48 75.4 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.75 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 18.8 tpp -54.02 -55.96 22.41 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.548 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -50.06 -40.34 44.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.37 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.514 ' ND2' ' CE1' ' A' ' 837' ' ' PHE . 27.2 t30 -85.39 5.65 29.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.921 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 64.57 17.02 61.78 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 837' ' ' PHE . . . . . 0.514 ' CE1' ' ND2' ' A' ' 835' ' ' ASN . 3.4 m-30 -80.93 58.1 3.29 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.833 0.349 . . . . 0.0 110.436 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -96.52 175.83 6.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.576 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 839' ' ' ASN . . . . . 0.473 ' ND2' ' CG ' ' A' ' 842' ' ' PHE . 37.3 t30 61.53 62.89 1.25 Allowed 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.551 0.691 . . . . 0.0 109.271 -178.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 840' ' ' VAL . . . . . 0.402 ' HB ' HD11 ' A' ' 874' ' ' LEU . 27.2 m -44.94 -43.74 2.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.951 -176.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 841' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.17 -40.21 61.13 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.755 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 842' ' ' PHE . . . . . 0.473 ' CG ' ' ND2' ' A' ' 839' ' ' ASN . 3.2 m-30 -67.73 -46.43 72.18 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 843' ' ' MET . . . . . . . . . . . . . 90.3 mtp -48.41 -55.73 10.05 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 844' ' ' GLY . . . . . . . . . . . . . . . -59.81 -38.42 93.95 Favored Glycine 0 C--O 1.234 0.152 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 178.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.8 t -78.69 2.23 20.27 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 846' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 842' ' ' PHE . 0.0 OUTLIER -100.2 -55.6 2.58 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . 0.417 ' N ' ' CG ' ' A' ' 846' ' ' ASN . 31.1 m -153.79 150.91 11.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 848' ' ' MET . . . . . . . . . . . . . 33.6 mtm -123.96 100.87 6.95 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 173.28 -178.59 0.08 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.418 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 850' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 854' ' ' LEU . 3.8 p-10 -71.08 -25.22 62.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.641 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -48.17 -51.71 23.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.185 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -57.81 -52.57 64.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.404 0.621 . . . . 0.0 109.651 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 6.7 mt -57.86 -33.59 68.83 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.617 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 854' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 850' ' ' ASP . 1.0 OUTLIER -70.55 -40.08 73.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.544 177.673 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -53.4 -53.67 47.86 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 856' ' ' ILE . . . . . 0.605 ' O ' ' NE2' ' A' ' 831' ' ' HIS . 0.0 OUTLIER -64.39 -34.09 67.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 176.663 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 95.7 43.33 3.4 Favored Glycine 0 C--O 1.228 -0.262 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.479 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 858' ' ' ILE . . . . . 0.464 ' O ' ' NH1' ' A' ' 864' ' ' ARG . 12.7 mm -60.18 144.97 12.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 19.8 mt -96.16 -73.26 0.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.91 0.386 . . . . 0.0 111.187 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 860' ' ' ASN . . . . . 0.558 ' OD1' ' ND1' ' A' ' 863' ' ' HIS . 29.3 t-20 -62.99 121.12 12.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.281 -178.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 861' ' ' SER . . . . . 0.554 ' OG ' ' NH2' ' A' ' 864' ' ' ARG . 32.5 m -69.55 -31.96 70.48 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.042 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -55.8 -52.36 49.08 Favored Glycine 0 C--O 1.235 0.192 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 863' ' ' HIS . . . . . 0.558 ' ND1' ' OD1' ' A' ' 860' ' ' ASN . 25.3 m80 -63.22 -43.36 98.31 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 176.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 864' ' ' ARG . . . . . 0.554 ' NH2' ' OG ' ' A' ' 861' ' ' SER . 5.4 ttp180 -51.42 -54.46 26.55 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.722 177.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -53.84 -43.27 69.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.272 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 866' ' ' ARG . . . . . 0.578 ' NH2' ' O ' ' A' ' 823' ' ' ILE . 16.5 mmm180 -61.59 -46.31 90.41 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 1.4 mm -63.25 -43.68 98.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 49.4 tp -54.71 -54.93 35.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.603 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 869' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 870' ' ' ALA . 8.8 pt20 -60.55 -38.79 85.62 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.048 179.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 870' ' ' ALA . . . . . 0.4 ' N ' ' HG3' ' A' ' 869' ' ' GLN . . . -59.73 -49.64 76.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.765 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 23.6 pt -65.34 -37.18 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.009 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -61.85 -37.99 86.57 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 3.4 mp -75.25 -36.43 61.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.98 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 874' ' ' LEU . . . . . 0.402 HD11 ' HB ' ' A' ' 840' ' ' VAL . 19.5 mt -48.41 142.85 7.91 Favored Pre-proline 0 N--CA 1.469 0.505 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.245 -178.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo . . . . . 0 N--CA 1.496 1.676 0 C-N-CA 122.514 2.142 . . . . 0.0 110.907 178.212 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.653 0.263 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 816' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -63.47 106.38 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.768 -178.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . -164.65 -82.73 0.05 OUTLIER Glycine 0 CA--C 1.519 0.339 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -52.08 -35.38 47.53 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 120.856 0.36 . . . . 0.0 110.36 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 39.4 t90 -56.53 -50.51 71.63 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 820' ' ' LEU . . . . . 0.421 ' HB3' ' O ' ' A' ' 825' ' ' LEU . 57.6 mt -56.2 -48.53 76.23 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.247 178.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -61.76 -45.19 94.96 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.902 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 16.3 m -57.95 -40.32 80.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.302 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 823' ' ' ILE . . . . . 0.569 ' O ' ' NE ' ' A' ' 866' ' ' ARG . 46.0 pt -79.28 3.26 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.054 178.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 76.86 21.71 73.64 Favored Glycine 0 C--N 1.329 0.193 0 N-CA-C 111.581 -0.608 . . . . 0.0 111.581 178.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . 0.477 ' CD1' HG12 ' A' ' 867' ' ' ILE . 43.4 mt -118.98 74.29 13.04 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.786 0.293 . . . . 0.0 110.834 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 826' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -73.98 152.24 46.01 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.01 1.807 . . . . 0.0 111.306 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 827' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 72.01 50.5 0.23 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.394 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 828' ' ' TYR . . . . . 0.552 ' OH ' ' ND1' ' A' ' 863' ' ' HIS . 23.4 m-85 -133.51 -2.87 3.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.329 177.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 829' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.24 -58.49 6.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.346 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 830' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 831' ' ' HIS . 34.9 p-10 -48.87 -51.05 31.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.857 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 831' ' ' HIS . . . . . 0.513 ' N ' ' OD1' ' A' ' 830' ' ' ASN . 45.4 m80 -51.26 -58.21 6.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.508 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 9.7 mp -63.45 -52.02 63.2 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.457 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 32.1 tpp -53.31 -51.0 63.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.378 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -57.44 -45.3 84.87 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.094 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -74.28 4.97 4.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.588 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 69.08 14.59 68.55 Favored Glycine 0 CA--C 1.518 0.28 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 837' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.76 70.15 1.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.95 0.405 . . . . 0.0 110.088 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.27 158.37 15.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.973 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 839' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 63.38 83.67 0.16 Allowed 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.08 0.467 . . . . 0.0 110.117 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 840' ' ' VAL . . . . . 0.589 ' HA ' ' SD ' ' A' ' 843' ' ' MET . 27.4 m -47.64 -42.49 8.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.967 -179.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 841' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -55.08 -51.93 64.81 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 842' ' ' PHE . . . . . 0.595 ' O ' ' N ' ' A' ' 846' ' ' ASN . 1.7 m-85 -61.84 -54.63 39.52 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.56 178.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 843' ' ' MET . . . . . 0.589 ' SD ' ' HA ' ' A' ' 840' ' ' VAL . 8.0 mtp -46.63 -55.65 7.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.015 0.436 . . . . 0.0 110.243 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 844' ' ' GLY . . . . . . . . . . . . . . . -62.99 -19.69 61.56 Favored Glycine 0 CA--C 1.517 0.19 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 19.2 m -99.55 -22.54 15.42 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.86 -0.2 . . . . 0.0 111.49 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 846' ' ' ASN . . . . . 0.595 ' N ' ' O ' ' A' ' 842' ' ' PHE . 17.3 t30 -88.75 -57.12 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -176.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 12.3 p -155.16 131.85 2.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.701 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 848' ' ' MET . . . . . 0.635 ' SD ' ' N ' ' A' ' 848' ' ' MET . 0.0 OUTLIER -140.69 102.55 4.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.645 177.786 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 849' ' ' GLU . . . . . 0.403 ' CD ' ' H ' ' A' ' 850' ' ' ASP . 2.4 mm-40 -170.41 -171.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.255 0.55 . . . . 0.0 111.897 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 850' ' ' ASP . . . . . 0.496 ' OD2' ' NH1' ' A' ' 864' ' ' ARG . 0.1 OUTLIER -60.5 -49.06 79.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.706 -177.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -47.52 -47.43 27.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.38 -176.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.32 -55.86 29.52 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.329 0.585 . . . . 0.0 109.979 179.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 9.7 mt -56.89 -35.02 68.48 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.431 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 4.0 mp -64.69 -47.72 77.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.732 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -47.75 -48.98 29.66 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.268 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 856' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.23 2.92 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.818 178.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 53.73 43.24 69.33 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 858' ' ' ILE . . . . . . . . . . . . . 13.2 mm -63.69 85.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.907 0.384 . . . . 0.0 110.425 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 1.5 mp -55.91 -40.24 72.79 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.165 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 860' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.42 85.91 0.11 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.166 -178.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -46.74 -42.14 16.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.631 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -56.8 -52.01 53.45 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 863' ' ' HIS . . . . . 0.552 ' ND1' ' OH ' ' A' ' 828' ' ' TYR . 43.3 m170 -57.72 -41.01 80.88 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 864' ' ' ARG . . . . . 0.496 ' NH1' ' OD2' ' A' ' 850' ' ' ASP . 0.8 OUTLIER -52.1 -56.39 14.76 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.397 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.99 -41.97 93.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.886 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 866' ' ' ARG . . . . . 0.569 ' NE ' ' O ' ' A' ' 823' ' ' ILE . 9.5 tpt180 -58.06 -50.54 73.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.833 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . 0.477 HG12 ' CD1' ' A' ' 825' ' ' LEU . 3.8 mm -59.29 -45.7 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 33.7 mt -57.08 -55.44 34.73 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.783 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 869' ' ' GLN . . . . . 0.539 ' OE1' ' NH1' ' A' ' 866' ' ' ARG . 3.9 pt20 -60.68 -42.24 96.7 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.271 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 870' ' ' ALA . . . . . 0.523 ' N ' ' HG3' ' A' ' 869' ' ' GLN . . . -59.16 -48.81 80.26 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.427 ' HA ' ' CD1' ' A' ' 874' ' ' LEU . 0.1 OUTLIER -61.86 -47.09 94.86 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.819 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -59.58 -22.31 61.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.264 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.85 -4.5 59.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.074 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 874' ' ' LEU . . . . . 0.515 ' HB2' ' HD3' ' A' ' 875' ' ' PRO . 80.0 mt -75.55 -49.34 3.76 Favored Pre-proline 0 C--N 1.328 -0.347 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.395 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 875' ' ' PRO . . . . . 0.515 ' HD3' ' HB2' ' A' ' 874' ' ' LEU . 77.5 Cg_exo . . . . . 0 N--CA 1.494 1.528 0 C-N-CA 122.352 2.035 . . . . 0.0 111.758 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.701 0 CA-C-O 120.791 0.329 . . . . 0.0 110.478 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 816' ' ' VAL . . . . . . . . . . . . . 12.8 m -63.07 84.58 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-O 121.399 0.618 . . . . 0.0 110.124 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 177.56 -67.41 0.08 OUTLIER Glycine 0 C--N 1.312 -0.792 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -51.23 -46.04 62.15 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 176.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 42.0 t90 -56.85 -53.97 51.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.57 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 820' ' ' LEU . . . . . . . . . . . . . 56.5 mt -53.57 -46.26 70.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.046 178.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.54 -49.68 76.55 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 7.1 m -52.5 -45.33 66.15 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.721 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 823' ' ' ILE . . . . . 0.556 ' O ' ' NH1' ' A' ' 866' ' ' ARG . 21.6 pt -83.29 6.79 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 120.957 0.408 . . . . 0.0 110.747 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 65.02 38.04 94.96 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.761 -0.535 . . . . 0.0 111.761 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 825' ' ' LEU . . . . . 0.597 ' N ' ' CD ' ' A' ' 826' ' ' PRO . 77.1 mt -131.2 41.0 0.66 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.62 0.21 . . . . 0.0 110.848 178.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 826' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 825' ' ' LEU . 48.1 Cg_endo -70.03 122.66 9.26 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 122.06 1.84 . . . . 0.0 111.097 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 827' ' ' GLN . . . . . 0.48 ' HB3' ' O ' ' A' ' 826' ' ' PRO . 1.8 pt20 151.58 -13.28 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.678 0.791 . . . . 0.0 109.706 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 828' ' ' TYR . . . . . 0.573 ' OH ' ' ND1' ' A' ' 863' ' ' HIS . 60.3 m-85 -103.69 -2.12 27.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.104 -177.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 829' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.93 -77.34 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.033 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -55.63 -38.05 69.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.886 178.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 831' ' ' HIS . . . . . 0.578 ' NE2' ' O ' ' A' ' 856' ' ' ILE . 1.6 t-160 -49.89 -52.71 30.83 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.151 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 2.2 mp -59.25 -52.17 66.82 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 7.5 mtp -52.22 -54.73 27.33 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.919 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -49.18 -51.34 33.26 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.335 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -70.13 -3.67 17.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.964 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 77.45 26.89 60.4 Favored Glycine 0 C--O 1.236 0.256 0 N-CA-C 110.529 -1.029 . . . . 0.0 110.529 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 837' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -98.14 83.3 3.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.814 0.34 . . . . 0.0 110.185 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 838' ' ' ASP . . . . . 0.47 ' CG ' ' N ' ' A' ' 839' ' ' ASN . 16.3 t70 -102.66 168.44 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.735 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 839' ' ' ASN . . . . . 0.47 ' N ' ' CG ' ' A' ' 838' ' ' ASP . 55.9 t-20 52.37 81.38 0.08 Allowed 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.333 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 840' ' ' VAL . . . . . . . . . . . . . 27.5 m -53.57 -42.28 49.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.672 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 841' ' ' GLN . . . . . 0.414 HE21 ' C ' ' A' ' 875' ' ' PRO . 0.6 OUTLIER -59.55 -48.42 81.74 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 178.681 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 842' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 846' ' ' ASN . 89.2 t80 -60.94 -48.19 82.95 Favored 'General case' 0 CA--C 1.505 -0.768 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 843' ' ' MET . . . . . . . . . . . . . 38.9 mtp -46.1 -56.32 5.79 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 844' ' ' GLY . . . . . 0.465 ' CA ' ' HB ' ' A' ' 871' ' ' ILE . . . -57.58 -35.66 74.27 Favored Glycine 0 C--O 1.226 -0.355 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 178.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.6 m -92.78 13.62 19.72 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.647 0.26 . . . . 0.0 110.794 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 846' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 842' ' ' PHE . 12.8 t-20 -129.67 -52.32 1.16 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.458 -177.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 6.1 p -152.27 130.29 2.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.912 0.387 . . . . 0.0 110.683 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 848' ' ' MET . . . . . 0.641 ' SD ' ' HG2' ' A' ' 872' ' ' GLN . 9.2 mtm -139.22 101.8 4.35 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -172.49 157.39 3.96 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.236 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 850' ' ' ASP . . . . . 0.426 ' OD2' ' NH2' ' A' ' 864' ' ' ARG . 0.9 OUTLIER -46.29 -38.92 9.26 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.12 179.538 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -50.88 -31.02 16.14 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.99 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 852' ' ' ASP . . . . . 0.547 ' CG ' ' N ' ' A' ' 853' ' ' LEU . 0.0 OUTLIER -70.6 -61.72 1.66 Allowed 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.563 -179.503 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.547 ' N ' ' CG ' ' A' ' 852' ' ' ASP . 0.4 OUTLIER -56.79 -36.52 69.97 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.722 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -60.87 -41.89 96.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.543 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.14 -59.22 5.24 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.753 178.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 856' ' ' ILE . . . . . 0.578 ' O ' ' NE2' ' A' ' 831' ' ' HIS . 0.0 OUTLIER -58.77 -29.87 41.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 177.852 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 96.93 35.4 5.35 Favored Glycine 0 CA--C 1.517 0.202 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 858' ' ' ILE . . . . . 0.462 ' HB ' ' CD2' ' A' ' 853' ' ' LEU . 2.4 mm -97.46 85.83 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 178.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 10.5 mt -76.07 -24.86 55.12 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.972 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 860' ' ' ASN . . . . . 0.458 ' HB3' ' CG ' ' A' ' 863' ' ' HIS . 1.0 OUTLIER -43.22 101.27 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.675 -179.279 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.59 -52.29 10.81 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.384 -178.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -57.59 -42.42 94.1 Favored Glycine 0 C--N 1.322 -0.214 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 863' ' ' HIS . . . . . 0.573 ' ND1' ' OH ' ' A' ' 828' ' ' TYR . 29.4 m170 -69.25 -42.15 76.01 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 864' ' ' ARG . . . . . 0.426 ' NH2' ' OD2' ' A' ' 850' ' ' ASP . 1.5 mmm180 -52.52 -56.59 14.14 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.752 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -64.73 -45.29 87.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.936 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 866' ' ' ARG . . . . . 0.556 ' NH1' ' O ' ' A' ' 823' ' ' ILE . 19.3 ttm180 -58.53 -55.18 38.36 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.639 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 5.3 mm -53.63 -54.01 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.165 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.41 -54.84 35.35 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.102 0.477 . . . . 0.0 110.039 178.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 869' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -57.67 -43.55 85.09 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.007 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 870' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 866' ' ' ARG . . . -60.06 -49.84 76.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.037 -178.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 871' ' ' ILE . . . . . 0.465 ' HB ' ' CA ' ' A' ' 844' ' ' GLY . 41.0 pt -66.5 -37.66 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.852 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 872' ' ' GLN . . . . . 0.641 ' HG2' ' SD ' ' A' ' 848' ' ' MET . 1.1 mt-30 -59.19 -31.82 69.36 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.05 178.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -80.71 -20.84 41.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.259 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 874' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.98 147.02 95.03 Favored Pre-proline 0 C--N 1.327 -0.372 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.097 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 875' ' ' PRO . . . . . 0.414 ' C ' HE21 ' A' ' 841' ' ' GLN . 60.9 Cg_endo . . . . . 0 C--N 1.309 -1.553 0 C-N-CA 122.415 2.077 . . . . 0.0 110.994 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 814' ' ' GLN . . . . . . . . . . . . . 7.1 pm0 . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.62 165.41 23.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.949 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 816' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.87 117.47 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.885 0.374 . . . . 0.0 110.366 -177.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 174.47 -75.64 0.08 OUTLIER Glycine 0 CA--C 1.519 0.29 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 818' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 822' ' ' SER . 1.5 mt-30 -51.12 -35.75 37.07 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 819' ' ' TRP . . . . . 0.412 ' CZ2' ' HB2' ' A' ' 870' ' ' ALA . 30.0 t90 -55.52 -51.08 68.24 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.603 178.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 820' ' ' LEU . . . . . . . . . . . . . 27.4 mt -66.28 -41.55 89.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.126 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -64.96 -39.3 93.28 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.78 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 822' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 818' ' ' GLN . 50.4 m -55.0 -50.9 67.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.829 178.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 823' ' ' ILE . . . . . 0.591 ' O ' ' NH2' ' A' ' 866' ' ' ARG . 17.5 pt -75.5 1.67 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.884 177.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 61.69 43.59 99.06 Favored Glycine 0 CA--C 1.516 0.114 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . 0.442 ' N ' ' HD3' ' A' ' 826' ' ' PRO . 96.0 mt -130.27 62.69 65.86 Favored Pre-proline 0 C--O 1.235 0.326 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.424 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 826' ' ' PRO . . . . . 0.442 ' HD3' ' N ' ' A' ' 825' ' ' LEU . 27.6 Cg_exo -60.5 168.48 6.57 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 122.407 2.072 . . . . 0.0 111.387 178.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 827' ' ' GLN . . . . . 0.539 ' O ' ' ND1' ' A' ' 831' ' ' HIS . 62.2 mt-30 79.44 3.3 2.24 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.228 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 828' ' ' TYR . . . . . 0.573 ' OH ' ' ND1' ' A' ' 863' ' ' HIS . 9.0 m-30 -104.06 -3.89 23.97 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.11 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 829' ' ' GLU . . . . . 0.596 ' CD ' ' H ' ' A' ' 829' ' ' GLU . 0.0 OUTLIER -70.25 -55.19 9.87 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.004 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 830' ' ' ASN . . . . . 0.468 ' H ' ' CD ' ' A' ' 829' ' ' GLU . 11.0 m-80 -54.96 -41.47 71.17 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 831' ' ' HIS . . . . . 0.539 ' ND1' ' O ' ' A' ' 827' ' ' GLN . 20.8 m80 -55.57 -54.07 48.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.936 178.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 1.5 mp -55.76 -50.91 69.14 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 30.9 mmt -55.42 -48.06 74.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.096 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -55.46 -34.43 64.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.256 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.436 ' O ' ' ND2' ' A' ' 835' ' ' ASN . 0.1 OUTLIER -88.23 6.55 36.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.12 178.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 65.29 23.82 70.23 Favored Glycine 0 N--CA 1.454 -0.107 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 837' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -89.14 128.58 35.79 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -144.91 169.2 18.52 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.978 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 839' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 56.15 76.43 0.29 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.235 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 840' ' ' VAL . . . . . . . . . . . . . 34.2 m -45.83 -39.18 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.658 -179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 841' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 875' ' ' PRO . 54.0 tp60 -58.32 -58.9 6.46 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.179 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 842' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -50.27 -47.86 55.1 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 843' ' ' MET . . . . . 0.413 ' O ' ' N ' ' A' ' 847' ' ' VAL . 88.8 mtp -54.64 -56.59 17.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.195 178.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 844' ' ' GLY . . . . . 0.539 ' HA2' ' HB ' ' A' ' 871' ' ' ILE . . . -62.47 -14.3 48.47 Favored Glycine 0 CA--C 1.511 -0.159 0 N-CA-C 111.574 -0.61 . . . . 0.0 111.574 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.19 1.68 20.46 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.755 0.312 . . . . 0.0 110.338 179.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 846' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -131.59 -54.22 1.01 Allowed 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 843' ' ' MET . 1.2 p -108.26 119.23 57.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.092 0.472 . . . . 0.0 111.754 -177.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 848' ' ' MET . . . . . . . . . . . . . 11.6 mtt -139.48 101.55 4.26 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 176.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -167.18 154.8 9.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.562 -178.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 850' ' ' ASP . . . . . 0.486 ' OD1' ' NE ' ' A' ' 864' ' ' ARG . 35.6 t70 -71.51 -48.67 47.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.143 177.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -39.08 47.6 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.748 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.27 -41.56 93.55 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.212 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 29.7 mt -57.89 -42.2 84.18 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 176.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -41.28 95.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.337 176.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -51.82 -50.77 60.18 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.988 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 856' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -67.97 -13.58 17.14 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 95.73 17.25 36.38 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.665 -0.574 . . . . 0.0 111.665 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 858' ' ' ILE . . . . . . . . . . . . . 8.9 mm -74.66 98.14 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.96 -74.0 0.26 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.84 0.352 . . . . 0.0 111.353 -177.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 860' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -38.4 110.81 0.14 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.251 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 861' ' ' SER . . . . . 0.6 ' OG ' ' NH1' ' A' ' 864' ' ' ARG . 37.4 m -54.84 -38.08 66.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.701 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -54.46 -47.49 69.19 Favored Glycine 0 N--CA 1.451 -0.327 0 N-CA-C 108.939 -1.665 . . . . 0.0 108.939 176.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 863' ' ' HIS . . . . . 0.573 ' ND1' ' OH ' ' A' ' 828' ' ' TYR . 27.3 m170 -62.75 -49.03 76.64 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 864' ' ' ARG . . . . . 0.6 ' NH1' ' OG ' ' A' ' 861' ' ' SER . 19.8 mtm-85 -52.23 -52.12 54.27 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -56.82 -47.48 80.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.984 178.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 866' ' ' ARG . . . . . 0.591 ' NH2' ' O ' ' A' ' 823' ' ' ILE . 51.1 mtp180 -58.48 -48.22 81.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.043 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 5.8 mm -59.68 -44.83 94.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 12.4 tp -56.53 -47.01 80.29 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 869' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -66.72 -34.45 77.88 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.606 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 870' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 866' ' ' ARG . . . -59.06 -47.87 83.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.524 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.539 ' HB ' ' HA2' ' A' ' 844' ' ' GLY . 21.7 pt -67.66 -37.92 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 119.8 -0.76 . . . . 0.0 109.631 178.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -59.85 -32.4 70.65 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.796 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.86 -29.37 69.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.086 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 874' ' ' LEU . . . . . . . . . . . . . 61.8 mt -71.28 125.61 91.88 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.47 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 875' ' ' PRO . . . . . 0.49 ' O ' ' NE2' ' A' ' 841' ' ' GLN . 88.7 Cg_exo -42.92 145.57 1.1 Allowed 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 122.846 2.364 . . . . 0.0 112.099 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 876' ' ' LYS . . . . . . . . . . . . . 54.0 mttm . . . . . 0 C--O 1.212 -0.904 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.749 179.212 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 814' ' ' GLN . . . . . 0.481 ' OE1' ' N ' ' A' ' 814' ' ' GLN . 9.4 pm0 . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 815' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 817' ' ' GLY . 0.2 OUTLIER -78.75 162.25 26.27 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.135 0.493 . . . . 0.0 110.935 -178.522 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 816' ' ' VAL . . . . . . . . . . . . . 2.8 m -63.83 72.71 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.377 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 815' ' ' THR . . . -157.85 -78.03 0.02 OUTLIER Glycine 0 C--N 1.315 -0.588 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 818' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 822' ' ' SER . 0.0 OUTLIER -51.45 -43.17 62.0 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.305 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 819' ' ' TRP . . . . . 0.439 ' CH2' HG23 ' A' ' 871' ' ' ILE . 57.3 t90 -52.86 -57.03 11.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.45 176.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 820' ' ' LEU . . . . . . . . . . . . . 28.0 mt -54.75 -50.56 68.12 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.963 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.2 -30.39 64.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.092 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 822' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 818' ' ' GLN . 7.3 m -69.37 -51.03 40.64 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.999 177.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 823' ' ' ILE . . . . . 0.589 ' O ' ' NH1' ' A' ' 866' ' ' ARG . 0.0 OUTLIER -60.66 -34.75 59.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.567 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 110.73 31.81 2.85 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.654 176.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . 0.554 ' HB3' ' CG ' ' A' ' 863' ' ' HIS . 0.0 OUTLIER -145.6 86.06 7.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 117.437 0.619 . . . . 0.0 112.345 177.667 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 826' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -66.98 168.91 16.02 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.298 1.999 . . . . 0.0 110.662 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 827' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 71.37 27.14 3.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.179 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 828' ' ' TYR . . . . . 0.45 ' OH ' ' CG2' ' A' ' 858' ' ' ILE . 1.4 m-85 -104.39 -4.81 22.37 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 176.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 829' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -66.23 0.58 Allowed 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.906 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 830' ' ' ASN . . . . . 0.5 ' OD1' ' ND1' ' A' ' 831' ' ' HIS . 29.0 p-10 -45.56 -39.59 7.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.992 178.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 831' ' ' HIS . . . . . 0.5 ' ND1' ' OD1' ' A' ' 830' ' ' ASN . 70.3 m80 -63.59 -58.7 6.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.259 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 6.1 mp -59.44 -45.37 91.78 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.941 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 833' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 836' ' ' GLY . 32.4 mmt -57.23 -55.03 40.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.348 179.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -50.73 -52.27 41.99 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -62.54 -18.61 62.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.377 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 836' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 833' ' ' MET . . . 82.18 28.09 42.18 Favored Glycine 0 C--N 1.323 -0.179 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 837' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -96.84 82.53 3.28 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.964 0.411 . . . . 0.0 110.306 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . 0.403 ' CG ' ' N ' ' A' ' 839' ' ' ASN . 21.3 t70 -92.94 165.65 12.77 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.485 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 839' ' ' ASN . . . . . 0.403 ' N ' ' CG ' ' A' ' 838' ' ' ASP . 30.0 t-20 55.78 86.17 0.06 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.067 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 840' ' ' VAL . . . . . . . . . . . . . 31.3 m -45.85 -47.56 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.652 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 841' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -51.82 -54.54 27.7 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 842' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 846' ' ' ASN . 10.9 t80 -57.06 -49.36 76.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.641 178.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 843' ' ' MET . . . . . . . . . . . . . 6.2 ttt -46.75 -56.65 5.86 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.365 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 844' ' ' GLY . . . . . 0.496 ' CA ' ' HB ' ' A' ' 871' ' ' ILE . . . -63.7 -33.12 86.37 Favored Glycine 0 N--CA 1.459 0.223 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.4 m -88.91 8.34 29.83 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.675 0.274 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 846' ' ' ASN . . . . . 0.508 ' C ' HD21 ' A' ' 846' ' ' ASN . 0.3 OUTLIER -130.33 -52.54 1.1 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -178.668 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 1.4 p -150.63 129.78 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.158 -0.617 . . . . 0.0 112.051 -176.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 848' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.49 102.44 4.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.271 -0.877 . . . . 0.0 108.652 176.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.99 162.48 38.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.117 0.484 . . . . 0.0 111.826 -177.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 850' ' ' ASP . . . . . 0.508 ' OD1' ' NH1' ' A' ' 864' ' ' ARG . 4.5 t70 -70.72 -36.2 73.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.574 175.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -50.76 -40.27 54.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.033 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -60.57 -56.93 15.42 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.667 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 16.4 mt -55.29 -39.08 69.45 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.7 -48.57 74.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.563 176.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -49.23 -48.63 45.39 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.861 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 856' ' ' ILE . . . . . 0.518 HD13 HG22 ' A' ' 856' ' ' ILE . 0.0 OUTLIER -82.98 6.22 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.57 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 56.99 41.02 92.12 Favored Glycine 0 C--N 1.32 -0.358 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 858' ' ' ILE . . . . . 0.45 ' CG2' ' OH ' ' A' ' 828' ' ' TYR . 33.4 mm -67.14 133.15 31.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 31.4 mt -96.49 -74.42 0.56 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.844 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 860' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -41.75 103.11 0.03 OUTLIER 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.97 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.95 -37.78 72.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.493 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -57.92 -52.06 54.49 Favored Glycine 0 CA--C 1.508 -0.37 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 863' ' ' HIS . . . . . 0.554 ' CG ' ' HB3' ' A' ' 825' ' ' LEU . 2.6 m-70 -60.76 -39.71 89.77 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 177.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 864' ' ' ARG . . . . . 0.508 ' NH1' ' OD1' ' A' ' 850' ' ' ASP . 0.3 OUTLIER -55.28 -57.72 10.65 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.41 179.358 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -65.25 -36.12 83.14 Favored 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.437 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 866' ' ' ARG . . . . . 0.589 ' NH1' ' O ' ' A' ' 823' ' ' ILE . 0.3 OUTLIER -57.61 -54.27 48.78 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 177.269 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 4.1 mm -57.03 -53.3 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.273 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 7.1 tp -53.88 -53.06 57.87 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.688 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 869' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -66.14 -40.42 90.58 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.187 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 870' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 866' ' ' ARG . . . -59.67 -49.92 75.86 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.496 ' HB ' ' CA ' ' A' ' 844' ' ' GLY . 40.0 pt -61.12 -40.68 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 C-N-CA 119.57 -0.852 . . . . 0.0 109.368 178.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 872' ' ' GLN . . . . . 0.591 ' O ' ' NZ ' ' A' ' 876' ' ' LYS . 8.2 mm100 -64.85 -18.57 65.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.964 176.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.04 -0.85 57.81 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.603 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 874' ' ' LEU . . . . . 0.471 ' HB2' ' HD3' ' A' ' 875' ' ' PRO . 97.2 mt -84.72 -52.32 0.52 Allowed Pre-proline 0 C--N 1.325 -0.497 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.546 -179.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 875' ' ' PRO . . . . . 0.471 ' HD3' ' HB2' ' A' ' 874' ' ' LEU . 74.3 Cg_endo -76.25 -8.63 18.73 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.321 2.014 . . . . 0.0 112.713 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 876' ' ' LYS . . . . . 0.591 ' NZ ' ' O ' ' A' ' 872' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.207 -1.184 0 CA-C-O 118.333 -0.841 . . . . 0.0 110.534 -178.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 814' ' ' GLN . . . . . 0.535 ' N ' ' OE1' ' A' ' 818' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 815' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 817' ' ' GLY . 62.5 p -78.3 165.92 23.3 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.768 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 816' ' ' VAL . . . . . . . . . . . . . 4.4 m -63.05 72.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.247 0.546 . . . . 0.0 110.276 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 815' ' ' THR . . . -158.17 -81.61 0.04 OUTLIER Glycine 0 C--N 1.319 -0.413 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 818' ' ' GLN . . . . . 0.535 ' OE1' ' N ' ' A' ' 814' ' ' GLN . 0.0 OUTLIER -51.92 -43.72 63.53 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.28 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 819' ' ' TRP . . . . . 0.422 ' CE3' ' CG1' ' A' ' 840' ' ' VAL . 36.8 t90 -49.95 -55.89 12.76 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.829 177.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 820' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 829' ' ' GLU . 16.6 mt -54.93 -46.03 74.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.708 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -59.43 -43.05 93.17 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 1.6 m -52.94 -37.59 61.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.212 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 823' ' ' ILE . . . . . 0.58 ' O ' ' NH2' ' A' ' 866' ' ' ARG . 12.2 pt -95.31 13.09 3.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.074 0.464 . . . . 0.0 110.423 177.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 58.63 41.94 95.92 Favored Glycine 0 N--CA 1.46 0.245 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.863 177.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 15.7 mt -119.36 70.1 11.59 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 121.248 0.547 . . . . 0.0 110.885 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 826' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.96 165.25 32.95 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.844 2.363 . . . . 0.0 111.856 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 827' ' ' GLN . . . . . 0.51 ' O ' ' ND1' ' A' ' 831' ' ' HIS . 50.5 mt-30 69.12 -3.86 1.41 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.556 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 828' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -102.72 -3.14 26.92 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.57 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 829' ' ' GLU . . . . . 0.554 ' CD ' ' H ' ' A' ' 829' ' ' GLU . 0.1 OUTLIER -71.75 -49.52 38.39 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.627 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 830' ' ' ASN . . . . . 0.413 ' N ' ' CG ' ' A' ' 829' ' ' GLU . 15.6 m-80 -59.96 -34.65 73.55 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.358 176.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 831' ' ' HIS . . . . . 0.51 ' ND1' ' O ' ' A' ' 827' ' ' GLN . 16.5 m80 -57.09 -57.84 10.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.751 178.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . 0.556 HD21 ' SD ' ' A' ' 843' ' ' MET . 4.9 mt -64.59 -43.38 94.03 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.144 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -52.34 65.47 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 834' ' ' ALA . . . . . 0.403 ' C ' ' H ' ' A' ' 836' ' ' GLY . . . -58.75 -42.8 89.69 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -67.78 -1.48 5.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.941 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 836' ' ' GLY . . . . . 0.403 ' H ' ' C ' ' A' ' 834' ' ' ALA . . . 58.73 26.72 60.61 Favored Glycine 0 N--CA 1.451 -0.34 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 837' ' ' PHE . . . . . 0.401 ' CE1' ' HG2' ' A' ' 843' ' ' MET . 0.1 OUTLIER -105.16 97.91 7.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.677 0.275 . . . . 0.0 110.46 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -109.89 176.56 5.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.135 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 839' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 70.03 80.63 0.17 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.571 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 840' ' ' VAL . . . . . 0.422 ' CG1' ' CE3' ' A' ' 819' ' ' TRP . 29.0 m -52.54 -35.62 20.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.828 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 841' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -62.31 -57.34 11.72 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 842' ' ' PHE . . . . . 0.44 ' CD2' ' ND2' ' A' ' 846' ' ' ASN . 6.7 t80 -54.36 -45.42 72.76 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.442 178.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 843' ' ' MET . . . . . 0.556 ' SD ' HD21 ' A' ' 832' ' ' LEU . 10.6 mtp -55.43 -57.04 13.52 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.553 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 844' ' ' GLY . . . . . . . . . . . . . . . -57.29 -32.01 63.21 Favored Glycine 0 CA--C 1.507 -0.408 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.09 22.29 8.69 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 120.655 0.264 . . . . 0.0 111.187 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 846' ' ' ASN . . . . . 0.44 ' ND2' ' CD2' ' A' ' 842' ' ' PHE . 4.4 m-80 -129.85 -55.72 1.13 Allowed 'General case' 0 CA--C 1.507 -0.675 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.671 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 14.9 p -154.5 127.05 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 C-N-CA 120.556 -0.457 . . . . 0.0 111.354 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 848' ' ' MET . . . . . . . . . . . . . 5.3 ptp -141.0 101.45 4.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.243 176.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 849' ' ' GLU . . . . . 0.465 ' N ' ' OD2' ' A' ' 852' ' ' ASP . 12.2 mt-10 -158.28 -172.35 3.84 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.103 0.478 . . . . 0.0 110.399 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 850' ' ' ASP . . . . . 0.53 ' HA ' ' CD ' ' A' ' 864' ' ' ARG . 20.0 p-10 -73.6 -54.94 7.0 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.081 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -48.39 -54.66 13.2 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.949 -177.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . 0.465 ' OD2' ' N ' ' A' ' 849' ' ' GLU . 0.0 OUTLIER -57.72 -53.06 62.45 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 120.7 0.286 . . . . 0.0 110.695 -178.484 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.402 ' CD1' ' HA ' ' A' ' 864' ' ' ARG . 40.8 mt -56.99 -41.15 77.91 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -47.24 77.38 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.589 177.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.08 -48.21 17.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.024 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 856' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.82 -34.8 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.04 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 95.16 43.22 3.55 Favored Glycine 0 CA--C 1.519 0.288 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 858' ' ' ILE . . . . . . . . . . . . . 4.2 mm -75.53 151.67 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -96.48 -74.58 0.56 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.556 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 860' ' ' ASN . . . . . 0.621 ' O ' ' ND1' ' A' ' 863' ' ' HIS . 29.5 t-20 -50.54 101.53 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.681 -178.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -45.28 -34.43 2.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -53.27 -27.8 33.08 Favored Glycine 0 C--N 1.322 -0.225 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 863' ' ' HIS . . . . . 0.621 ' ND1' ' O ' ' A' ' 860' ' ' ASN . 40.6 p-80 -48.43 -46.1 37.2 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-O 120.593 0.235 . . . . 0.0 110.749 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 864' ' ' ARG . . . . . 0.53 ' CD ' ' HA ' ' A' ' 850' ' ' ASP . 0.3 OUTLIER -51.67 -57.28 9.65 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.713 -178.715 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -49.76 71.19 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.327 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 866' ' ' ARG . . . . . 0.58 ' NH2' ' O ' ' A' ' 823' ' ' ILE . 16.5 mmm180 -58.75 -51.88 68.08 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.661 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . 0.439 ' O ' HG12 ' A' ' 871' ' ' ILE . 1.9 mm -64.36 -55.0 24.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.36 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . 0.426 ' HG ' ' H ' ' A' ' 869' ' ' GLN . 1.1 pp -52.83 -46.21 67.67 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.433 -177.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 869' ' ' GLN . . . . . 0.426 ' H ' ' HG ' ' A' ' 868' ' ' LEU . 68.8 mt-30 -63.87 -41.7 97.69 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.637 176.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 870' ' ' ALA . . . . . . . . . . . . . . . -59.74 -49.74 76.55 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.11 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 867' ' ' ILE . 0.1 OUTLIER -67.47 -42.15 86.82 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.327 179.214 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -52.94 -29.72 30.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 0.0 110.362 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.33 -20.26 44.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.356 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 874' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.31 154.91 89.44 Favored Pre-proline 0 N--CA 1.466 0.368 0 CA-C-O 120.635 0.255 . . . . 0.0 111.029 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.32 150.37 26.23 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.413 2.076 . . . . 0.0 111.28 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 876' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.21 -1.024 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.668 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 814' ' ' GLN . . . . . 0.413 ' N ' ' OE1' ' A' ' 818' ' ' GLN . 4.2 tt0 . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 815' ' ' THR . . . . . 0.404 ' OG1' ' OE1' ' A' ' 814' ' ' GLN . 2.4 m -78.42 167.13 21.78 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 178.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 816' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -60.04 164.34 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 76.25 -68.95 2.3 Favored Glycine 0 C--N 1.314 -0.68 0 N-CA-C 108.714 -1.754 . . . . 0.0 108.714 -175.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 818' ' ' GLN . . . . . 0.413 ' OE1' ' N ' ' A' ' 814' ' ' GLN . 9.6 tm0? -52.45 -39.75 61.43 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 175.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 24.9 t90 -59.69 -55.17 37.69 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.763 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 820' ' ' LEU . . . . . . . . . . . . . 83.1 mt -54.82 -44.56 73.96 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.943 178.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -62.42 -48.22 80.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.49 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 39.2 m -52.86 -51.04 62.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.362 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 823' ' ' ILE . . . . . 0.445 HD12 HG23 ' A' ' 823' ' ' ILE . 27.6 pt -74.09 -0.03 2.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.033 0.444 . . . . 0.0 110.549 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 64.88 38.58 95.71 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 54.1 mt -132.91 63.45 67.18 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.95 0.405 . . . . 0.0 110.559 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 826' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -69.09 169.23 18.54 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.652 2.235 . . . . 0.0 111.585 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 827' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 73.49 28.95 1.66 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.425 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 828' ' ' TYR . . . . . 0.522 ' OH ' ' ND1' ' A' ' 863' ' ' HIS . 14.8 m-85 -126.2 -4.39 6.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.452 177.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 829' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.35 -61.11 2.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.788 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -45.62 -46.54 14.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.938 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 831' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -64.28 -49.26 72.52 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.218 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . 0.494 ' HG ' ' CD2' ' A' ' 837' ' ' PHE . 1.2 mp -54.35 -52.18 62.39 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 28.5 mtp -60.31 -52.85 63.51 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.045 178.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -49.42 -51.23 36.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.478 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -65.82 -28.44 68.99 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.274 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 103.09 34.85 3.84 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 837' ' ' PHE . . . . . 0.494 ' CD2' ' HG ' ' A' ' 832' ' ' LEU . 4.3 m-85 -68.74 99.82 1.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 839' ' ' ASN . 6.4 t70 -71.18 176.58 4.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.191 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 839' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 838' ' ' ASP . 47.2 t-20 -31.48 116.82 0.18 Allowed 'General case' 0 C--O 1.237 0.432 0 CA-C-O 120.845 0.355 . . . . 0.0 110.526 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 840' ' ' VAL . . . . . . . . . . . . . 34.9 m -45.91 -39.84 3.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.883 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 841' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -60.11 -47.61 85.17 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 842' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 846' ' ' ASN . 11.4 t80 -60.9 -51.71 68.14 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 176.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 843' ' ' MET . . . . . 0.455 ' HE3' ' CE2' ' A' ' 837' ' ' PHE . 29.8 mmm -49.75 -55.96 12.04 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.135 178.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 844' ' ' GLY . . . . . . . . . . . . . . . -56.4 -28.2 54.91 Favored Glycine 0 CA--C 1.51 -0.235 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.3 m -102.35 13.62 34.12 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.715 0.293 . . . . 0.0 110.58 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 846' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 842' ' ' PHE . 9.8 t-20 -126.23 -54.37 1.48 Allowed 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.996 -177.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 13.4 p -152.72 140.76 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.314 -0.554 . . . . 0.0 112.053 -178.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 848' ' ' MET . . . . . . . . . . . . . 3.9 ptm -140.31 103.48 4.59 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.553 176.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 849' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' A' ' 853' ' ' LEU . 0.1 OUTLIER -150.71 166.72 29.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.759 -178.449 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 850' ' ' ASP . . . . . 0.472 ' OD1' ' NH2' ' A' ' 864' ' ' ARG . 0.0 OUTLIER -71.77 -46.17 59.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.235 178.851 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 851' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 855' ' ' GLU . 46.0 mm-40 -48.68 -47.99 40.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.481 -177.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.65 -49.95 73.5 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.222 0.534 . . . . 0.0 110.107 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 849' ' ' GLU . 11.2 mt -64.36 -50.93 65.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.666 178.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.31 -39.2 66.76 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 855' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 851' ' ' GLN . 0.3 OUTLIER -54.31 -48.27 71.53 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.325 178.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 856' ' ' ILE . . . . . . . . . . . . . 8.7 pt -74.72 7.89 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.387 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 855' ' ' GLU . . . 61.77 43.11 99.68 Favored Glycine 0 C--O 1.234 0.13 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.026 177.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 858' ' ' ILE . . . . . . . . . . . . . 7.9 mm -50.91 122.71 2.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . 0.418 ' CD1' ' HH ' ' A' ' 828' ' ' TYR . 42.3 mt -39.65 -73.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -176.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 860' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -123.34 177.18 5.72 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.32 0.581 . . . . 0.0 112.194 -177.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 3.3 m -61.61 -39.21 90.44 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.655 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -53.24 -51.39 47.25 Favored Glycine 0 N--CA 1.454 -0.137 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 863' ' ' HIS . . . . . 0.522 ' ND1' ' OH ' ' A' ' 828' ' ' TYR . 22.2 m170 -58.69 -50.74 72.75 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 176.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 864' ' ' ARG . . . . . 0.472 ' NH2' ' OD1' ' A' ' 850' ' ' ASP . 0.0 OUTLIER -52.51 -54.91 26.29 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.448 178.262 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 865' ' ' GLN . . . . . 0.552 ' OE1' ' NE ' ' A' ' 866' ' ' ARG . 7.8 tm0? -55.62 -50.29 70.54 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.466 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 866' ' ' ARG . . . . . 0.564 ' NH2' ' OE1' ' A' ' 869' ' ' GLN . 0.0 OUTLIER -58.84 -52.61 65.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.64 -179.651 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 3.7 mm -57.13 -47.18 84.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 7.4 tp -59.14 -49.59 77.3 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.212 0.53 . . . . 0.0 109.916 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 869' ' ' GLN . . . . . 0.564 ' OE1' ' NH2' ' A' ' 866' ' ' ARG . 6.1 mt-30 -61.4 -40.19 93.5 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.969 178.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 870' ' ' ALA . . . . . . . . . . . . . . . -59.0 -49.56 77.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.774 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 46.6 pt -67.2 -37.65 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 120.059 -0.656 . . . . 0.0 109.885 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -62.37 -39.63 93.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.18 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -67.34 -30.98 70.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.094 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 874' ' ' LEU . . . . . . . . . . . . . 76.2 mt -55.78 111.98 3.76 Favored Pre-proline 0 N--CA 1.465 0.293 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.56 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.22 107.42 0.19 Allowed 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.254 1.969 . . . . 0.0 111.15 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 876' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.21 -0.979 0 CA-C-O 118.078 -0.963 . . . . 0.0 111.069 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 814' ' ' GLN . . . . . 0.51 ' N ' ' OE1' ' A' ' 818' ' ' GLN . 9.0 tt0 . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 815' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 817' ' ' GLY . 0.6 OUTLIER -77.96 165.38 24.14 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.041 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 816' ' ' VAL . . . . . . . . . . . . . 5.4 m -63.21 71.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-O 121.442 0.639 . . . . 0.0 110.294 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 815' ' ' THR . . . -158.5 -74.59 0.02 OUTLIER Glycine 0 C--N 1.308 -0.984 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 818' ' ' GLN . . . . . 0.51 ' OE1' ' N ' ' A' ' 814' ' ' GLN . 0.0 OUTLIER -51.9 -45.98 64.39 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 175.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 819' ' ' TRP . . . . . 0.475 ' CZ2' ' HB3' ' A' ' 870' ' ' ALA . 11.3 t90 -52.99 -62.47 1.63 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.578 176.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 820' ' ' LEU . . . . . 0.443 ' HB3' ' O ' ' A' ' 825' ' ' LEU . 64.5 mt -54.52 -47.61 72.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.986 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -56.99 -46.98 81.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.335 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 8.2 m -52.78 -51.45 60.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.508 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 823' ' ' ILE . . . . . . . . . . . . . 9.2 pt -75.42 -11.32 14.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.926 0.393 . . . . 0.0 111.025 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 81.79 33.57 26.97 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . 0.463 ' N ' ' CD ' ' A' ' 826' ' ' PRO . 61.5 mt -123.82 51.2 3.99 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 120.842 0.353 . . . . 0.0 110.577 178.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 826' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 825' ' ' LEU . 25.0 Cg_endo -62.94 169.15 9.37 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.719 2.28 . . . . 0.0 112.116 -179.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 827' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 63.94 20.86 12.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.934 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 828' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -104.51 -2.67 24.93 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 829' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.53 -76.2 0.03 OUTLIER 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.26 -178.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -46.68 -37.09 7.82 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.582 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 831' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -63.01 -58.07 8.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.485 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 1.7 mp -61.45 -51.52 68.34 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.036 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 14.1 mtm -54.7 -46.88 74.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.587 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -55.99 -36.12 67.54 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 120.996 0.427 . . . . 0.0 109.941 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.467 ' HB3' ' CD2' ' A' ' 837' ' ' PHE . 2.0 t30 -81.13 5.77 15.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.733 178.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 80.42 -1.08 83.21 Favored Glycine 0 CA--C 1.518 0.257 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 837' ' ' PHE . . . . . 0.467 ' CD2' ' HB3' ' A' ' 835' ' ' ASN . 20.2 m-85 -71.19 54.65 0.19 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.081 0.467 . . . . 0.0 110.481 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . 0.416 ' CG ' ' N ' ' A' ' 839' ' ' ASN . 1.6 t70 -83.27 161.66 21.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.113 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 839' ' ' ASN . . . . . 0.416 ' N ' ' CG ' ' A' ' 838' ' ' ASP . 16.2 t-20 53.35 82.37 0.08 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.096 0.474 . . . . 0.0 110.603 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 840' ' ' VAL . . . . . 0.421 ' CG1' ' CE3' ' A' ' 819' ' ' TRP . 34.8 m -45.21 -49.44 3.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.925 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 841' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.96 -58.06 7.6 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.314 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 842' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 846' ' ' ASN . 0.2 OUTLIER -59.87 -48.08 83.13 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.894 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 843' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -51.67 -56.08 15.77 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.549 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 844' ' ' GLY . . . . . . . . . . . . . . . -57.9 -42.83 94.93 Favored Glycine 0 CA--C 1.507 -0.429 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.1 m -84.29 13.22 5.53 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 120.825 0.345 . . . . 0.0 110.446 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 846' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 842' ' ' PHE . 8.3 t30 -112.32 -53.73 2.68 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.858 -178.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 10.7 p -152.59 142.79 15.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.964 0.412 . . . . 0.0 111.115 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 848' ' ' MET . . . . . . . . . . . . . 3.0 mtt -135.24 102.29 5.12 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 849' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 852' ' ' ASP . 36.0 mm-40 -157.1 136.71 12.26 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 850' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -45.0 -26.6 0.45 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.849 0.357 . . . . 0.0 111.292 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -26.1 50.09 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.505 179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 853' ' ' LEU . 9.4 p30 -56.03 -62.82 1.44 Allowed 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.221 0.534 . . . . 0.0 110.91 -178.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.525 ' CD1' ' HA ' ' A' ' 864' ' ' ARG . 9.4 mt -67.33 -25.85 66.21 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.82 178.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.43 -39.34 91.99 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.4 -53.68 55.43 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.093 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 856' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -9.34 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.94 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 78.19 39.13 24.04 Favored Glycine 0 CA--C 1.522 0.527 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.208 177.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 858' ' ' ILE . . . . . . . . . . . . . 18.9 mm -81.38 120.74 33.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 43.9 mt -96.01 -11.61 26.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.461 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 860' ' ' ASN . . . . . 0.589 ' O ' ' CD2' ' A' ' 863' ' ' HIS . 15.1 t-20 -62.75 162.5 10.75 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 1.3 m -94.19 -52.87 4.18 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.179 0.514 . . . . 0.0 111.312 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -53.88 -43.75 71.1 Favored Glycine 0 CA--C 1.523 0.537 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.843 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 863' ' ' HIS . . . . . 0.662 ' CD2' ' H ' ' A' ' 864' ' ' ARG . 1.4 p80 -39.27 -46.88 1.6 Allowed 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.774 0.287 . . . . 0.0 111.276 -177.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 864' ' ' ARG . . . . . 0.662 ' H ' ' CD2' ' A' ' 863' ' ' HIS . 0.1 OUTLIER -54.73 -55.69 27.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.962 0.411 . . . . 0.0 110.286 179.414 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 865' ' ' GLN . . . . . 0.425 ' O ' ' HG ' ' A' ' 868' ' ' LEU . 11.1 mm100 -61.51 -50.07 74.18 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.259 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 866' ' ' ARG . . . . . 0.491 ' NE ' ' OE1' ' A' ' 869' ' ' GLN . 12.4 mmp_? -60.01 -51.98 67.33 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.022 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . 0.434 ' O ' HG12 ' A' ' 871' ' ' ILE . 7.4 mm -59.82 -46.81 93.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.813 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . 0.55 ' HG ' ' N ' ' A' ' 869' ' ' GLN . 0.3 OUTLIER -54.43 -45.25 72.98 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.094 -0.643 . . . . 0.0 109.449 178.643 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 869' ' ' GLN . . . . . 0.55 ' N ' ' HG ' ' A' ' 868' ' ' LEU . 27.8 mt-30 -64.54 -39.84 94.49 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.286 176.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 870' ' ' ALA . . . . . 0.475 ' HB3' ' CZ2' ' A' ' 819' ' ' TRP . . . -58.9 -49.21 78.66 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.629 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.44 ' O ' ' CD ' ' A' ' 875' ' ' PRO . 18.0 pt -68.07 -45.14 83.95 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.915 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -53.92 -29.03 40.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.398 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.44 -16.75 60.86 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.38 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 874' ' ' LEU . . . . . 0.542 ' HB2' ' HD3' ' A' ' 875' ' ' PRO . 32.9 mt -76.86 -54.03 1.71 Allowed Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -177.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 875' ' ' PRO . . . . . 0.542 ' HD3' ' HB2' ' A' ' 874' ' ' LEU . 32.9 Cg_exo -55.69 110.57 0.58 Allowed 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 121.721 1.614 . . . . 0.0 111.316 178.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 876' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.206 -1.207 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.219 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 814' ' ' GLN . . . . . 0.549 ' OE1' ' N ' ' A' ' 814' ' ' GLN . 4.8 pm0 . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 815' ' ' THR . . . . . 0.466 ' H ' ' HG2' ' A' ' 814' ' ' GLN . 1.6 p -83.43 163.81 20.3 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.27 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 816' ' ' VAL . . . . . . . . . . . . . 6.4 m -63.65 173.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.339 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . 0.576 ' H ' ' CD1' ' A' ' 820' ' ' LEU . . . 79.24 -75.85 2.02 Favored Glycine 0 C--O 1.224 -0.486 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 -177.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.69 -51.02 62.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.303 0.573 . . . . 0.0 109.677 177.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 819' ' ' TRP . . . . . 0.488 ' CE3' ' CG1' ' A' ' 840' ' ' VAL . 67.4 t90 -58.53 -53.49 57.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.6 178.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 820' ' ' LEU . . . . . 0.576 ' CD1' ' H ' ' A' ' 817' ' ' GLY . 13.5 mt -54.46 -51.31 65.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.515 178.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -56.8 -48.38 78.09 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.829 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 22.3 m -52.85 -48.72 66.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.885 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 823' ' ' ILE . . . . . . . . . . . . . 44.3 pt -73.84 -1.52 2.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.943 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 91.44 28.47 14.55 Favored Glycine 0 CA--C 1.519 0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.134 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 99.2 mt -123.19 71.17 44.16 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.964 0.382 . . . . 0.0 111.338 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 826' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 827' ' ' GLN . 54.4 Cg_endo -73.19 147.36 42.35 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.167 1.911 . . . . 0.0 110.882 178.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 827' ' ' GLN . . . . . 0.456 ' O ' ' ND1' ' A' ' 831' ' ' HIS . 0.0 OUTLIER 83.31 17.28 0.27 Allowed 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.035 0.445 . . . . 0.0 110.706 -179.107 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 828' ' ' TYR . . . . . 0.474 ' HB3' HD13 ' A' ' 820' ' ' LEU . 9.3 m-85 -104.51 -4.89 22.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.029 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 829' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -63.88 -73.91 0.11 Allowed 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.303 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -45.0 -34.36 2.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.959 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 831' ' ' HIS . . . . . 0.456 ' ND1' ' O ' ' A' ' 827' ' ' GLN . 24.1 m80 -64.15 -57.67 8.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.809 178.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 5.8 mp -68.81 -35.99 77.68 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.166 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 39.7 mtm -60.28 -56.71 18.25 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.149 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -55.99 -44.79 78.91 Favored 'General case' 0 CA--C 1.511 -0.558 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 177.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -64.78 -9.24 18.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.241 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 61.75 35.37 91.15 Favored Glycine 0 C--O 1.235 0.196 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 837' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -107.63 50.22 0.78 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.134 0.492 . . . . 0.0 110.696 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -77.59 176.21 9.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.026 178.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 839' ' ' ASN . . . . . . . . . . . . . 7.0 t30 54.24 65.71 1.43 Allowed 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.352 0.596 . . . . 0.0 109.655 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 840' ' ' VAL . . . . . 0.488 ' CG1' ' CE3' ' A' ' 819' ' ' TRP . 16.5 m -44.93 -28.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.361 -176.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 841' ' ' GLN . . . . . 0.546 ' CD ' ' H ' ' A' ' 841' ' ' GLN . 0.0 OUTLIER -52.23 -41.43 62.76 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.805 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 842' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' A' ' 846' ' ' ASN . 16.3 m-30 -62.27 -49.3 76.21 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.481 177.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 843' ' ' MET . . . . . . . . . . . . . 82.5 mtp -49.21 -56.6 8.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.218 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 844' ' ' GLY . . . . . 0.42 ' CA ' ' HB ' ' A' ' 871' ' ' ILE . . . -56.47 -33.94 62.95 Favored Glycine 0 N--CA 1.458 0.153 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.5 m -89.32 -9.98 48.47 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.517 0.198 . . . . 0.0 111.353 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 846' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 842' ' ' PHE . 7.6 t30 -105.65 -54.71 2.44 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -177.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 3.5 p -152.88 138.37 11.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 C-N-CA 120.541 -0.464 . . . . 0.0 111.391 -177.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 848' ' ' MET . . . . . . . . . . . . . 9.3 ptp -140.06 100.94 4.04 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.843 176.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -179.0 -161.69 0.04 OUTLIER 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.944 0.402 . . . . 0.0 111.239 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 850' ' ' ASP . . . . . 0.516 ' HA ' ' CD ' ' A' ' 864' ' ' ARG . 3.2 m-20 -72.81 -50.86 21.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.165 -178.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -47.36 -37.81 11.84 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.685 -176.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.95 -61.95 2.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.126 0.488 . . . . 0.0 110.526 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.559 ' CD1' ' HA ' ' A' ' 864' ' ' ARG . 21.1 mt -64.03 -38.27 90.45 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.816 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.71 -47.08 74.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.386 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -53.05 -52.91 57.0 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.968 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 856' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.21 -15.55 16.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.194 178.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 80.91 31.47 35.39 Favored Glycine 0 C--O 1.237 0.296 0 N-CA-C 111.816 -0.514 . . . . 0.0 111.816 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 858' ' ' ILE . . . . . 0.44 HG23 HD12 ' A' ' 858' ' ' ILE . 23.4 mm -75.67 104.87 4.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.143 178.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 35.7 mt -79.43 -11.16 59.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.016 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 860' ' ' ASN . . . . . 0.507 ' O ' ' CD2' ' A' ' 863' ' ' HIS . 32.3 m120 -51.88 160.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.283 -178.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.13 -52.7 4.44 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.048 0.451 . . . . 0.0 111.71 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 862' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 863' ' ' HIS . . . -76.87 -32.49 49.57 Favored Glycine 0 N--CA 1.467 0.744 0 CA-C-N 116.168 -0.469 . . . . 0.0 113.058 -175.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 863' ' ' HIS . . . . . 0.529 ' CD2' ' H ' ' A' ' 864' ' ' ARG . 1.8 p80 -34.18 -46.76 0.26 Allowed 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 117.045 0.422 . . . . 0.0 111.605 -177.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 864' ' ' ARG . . . . . 0.559 ' HA ' ' CD1' ' A' ' 853' ' ' LEU . 4.7 mmm180 -51.75 -56.71 12.2 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 120.92 0.39 . . . . 0.0 110.532 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -60.71 -49.46 77.42 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.468 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 866' ' ' ARG . . . . . 0.539 ' NH2' ' OE1' ' A' ' 869' ' ' GLN . 1.4 mmp_? -58.39 -46.59 86.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.586 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . 0.439 ' O ' HG12 ' A' ' 871' ' ' ILE . 8.9 mm -65.14 -48.81 82.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.812 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.75 -55.57 25.13 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.833 0.349 . . . . 0.0 111.144 -177.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 869' ' ' GLN . . . . . 0.539 ' OE1' ' NH2' ' A' ' 866' ' ' ARG . 1.4 pt20 -61.39 -43.28 99.15 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.143 0.497 . . . . 0.0 109.977 179.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 870' ' ' ALA . . . . . 0.457 ' HB3' ' CZ2' ' A' ' 819' ' ' TRP . . . -59.92 -49.79 76.32 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.601 -178.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 867' ' ' ILE . 18.8 pt -67.64 -42.63 86.73 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 C-N-CA 119.887 -0.725 . . . . 0.0 110.702 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -56.19 -30.55 62.42 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -73.73 -4.19 33.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.951 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 874' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 871' ' ' ILE . 58.1 mt -90.74 130.21 41.78 Favored Pre-proline 0 C--N 1.326 -0.437 0 C-N-CA 121.034 -0.267 . . . . 0.0 110.306 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.02 161.93 4.47 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.37 2.047 . . . . 0.0 111.338 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 876' ' ' LYS . . . . . 0.459 ' NZ ' ' O ' ' A' ' 876' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.207 -1.145 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.695 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 814' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 . . . . . 0 N--CA 1.488 1.43 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.15 166.35 22.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.633 -178.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 816' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 818' ' ' GLN . 17.5 m -62.14 -118.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.924 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . 0.433 ' H ' ' CG2' ' A' ' 816' ' ' VAL . . . 50.87 -85.55 0.01 OUTLIER Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 818' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 816' ' ' VAL . 19.4 mp0 -52.39 -39.53 60.96 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.857 0.36 . . . . 0.0 110.271 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 819' ' ' TRP . . . . . 0.436 ' CE3' HG11 ' A' ' 840' ' ' VAL . 44.5 t90 -57.94 -50.58 72.9 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 820' ' ' LEU . . . . . 0.423 ' CD1' ' HB3' ' A' ' 828' ' ' TYR . 13.8 mt -58.25 -43.16 87.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.605 177.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -62.1 -42.44 99.23 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.596 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 6.1 m -57.28 -46.0 83.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.219 178.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 823' ' ' ILE . . . . . 0.59 ' O ' ' NH2' ' A' ' 866' ' ' ARG . 28.6 pt -82.88 12.77 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.099 0.476 . . . . 0.0 110.113 177.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 824' ' ' GLY . . . . . 0.405 ' C ' ' HD3' ' A' ' 826' ' ' PRO . . . 54.55 47.21 71.07 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 13.3 mt -123.34 66.14 32.65 Favored Pre-proline 0 C--N 1.33 -0.27 0 O-C-N 122.673 -0.31 . . . . 0.0 111.573 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 826' ' ' PRO . . . . . 0.405 ' HD3' ' C ' ' A' ' 824' ' ' GLY . 35.6 Cg_exo -56.32 168.59 1.97 Allowed 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.369 2.046 . . . . 0.0 111.319 176.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 827' ' ' GLN . . . . . 0.566 ' O ' ' ND1' ' A' ' 831' ' ' HIS . 84.7 mm-40 65.08 20.24 11.99 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.592 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 828' ' ' TYR . . . . . 0.429 ' CE2' ' HB3' ' A' ' 863' ' ' HIS . 0.6 OUTLIER -112.77 -5.33 13.91 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 178.08 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 829' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -71.11 -77.43 0.09 Allowed 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.256 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -46.29 -35.47 5.33 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 831' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' A' ' 827' ' ' GLN . 2.6 m80 -57.68 -57.55 12.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.089 178.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 3.2 mp -69.63 -41.71 75.27 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.162 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 5.6 tpp -58.25 -55.44 34.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.964 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -57.32 -39.62 76.21 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -73.2 2.08 8.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.097 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 55.16 35.4 59.87 Favored Glycine 0 N--CA 1.452 -0.259 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 837' ' ' PHE . . . . . 0.404 ' CE1' ' HG3' ' A' ' 843' ' ' MET . 0.2 OUTLIER -103.59 102.94 12.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.775 0.322 . . . . 0.0 111.079 -179.14 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' A' ' 839' ' ' ASN . 9.4 p-10 -139.02 113.58 9.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.934 177.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 839' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 838' ' ' ASP . 37.2 p30 141.47 59.82 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.148 0.979 . . . . 0.0 109.799 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 840' ' ' VAL . . . . . 0.436 HG11 ' CE3' ' A' ' 819' ' ' TRP . 34.5 m -45.72 -45.91 4.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.252 -178.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 841' ' ' GLN . . . . . 0.423 ' NE2' ' OG ' ' A' ' 845' ' ' SER . 11.1 tm0? -52.8 -53.0 54.66 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 842' ' ' PHE . . . . . 0.485 ' O ' ' N ' ' A' ' 846' ' ' ASN . 93.2 t80 -61.65 -48.51 80.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.259 177.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 843' ' ' MET . . . . . 0.5 ' SD ' HG22 ' A' ' 871' ' ' ILE . 13.3 ttt -45.52 -55.86 5.75 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.036 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 844' ' ' GLY . . . . . 0.442 ' CA ' ' HB ' ' A' ' 871' ' ' ILE . . . -68.68 -31.22 73.08 Favored Glycine 0 C--N 1.32 -0.329 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 845' ' ' SER . . . . . 0.597 ' OG ' ' NZ ' ' A' ' 876' ' ' LYS . 26.6 m -92.03 8.9 35.59 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 846' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 842' ' ' PHE . 19.2 t-20 -129.31 -56.55 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.75 -0.78 . . . . 0.0 112.67 -177.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 11.3 p -154.96 148.27 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.081 -0.647 . . . . 0.0 112.32 -178.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 848' ' ' MET . . . . . 0.444 ' SD ' ' NE2' ' A' ' 872' ' ' GLN . 0.0 OUTLIER -125.98 101.75 6.95 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 173.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -121.44 120.5 35.13 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.054 0.455 . . . . 0.0 112.072 -175.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 850' ' ' ASP . . . . . 0.519 ' OD1' ' NH1' ' A' ' 864' ' ' ARG . 10.4 t70 -63.65 -35.16 79.63 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 175.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -53.05 -49.79 65.61 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.799 179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -43.68 79.02 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 120.914 0.388 . . . . 0.0 110.016 -179.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 11.6 mt -59.83 -38.36 81.81 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 2.2 mp -72.19 -44.38 63.1 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.585 177.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -50.74 -52.8 37.02 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.213 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 856' ' ' ILE . . . . . 0.447 ' CG1' HG12 ' A' ' 858' ' ' ILE . 6.4 pt -69.16 -18.62 22.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 121.087 0.47 . . . . 0.0 109.919 177.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 96.45 40.84 3.82 Favored Glycine 0 CA--C 1.53 1.023 0 CA-C-N 115.904 -0.589 . . . . 0.0 113.533 175.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 858' ' ' ILE . . . . . 0.447 HG12 ' CG1' ' A' ' 856' ' ' ILE . 44.3 mm -79.35 115.89 22.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 175.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.71 -75.71 0.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -177.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 860' ' ' ASN . . . . . 0.516 HD22 ' CE1' ' A' ' 863' ' ' HIS . 2.0 p-10 -55.0 105.03 0.14 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.857 0.36 . . . . 0.0 110.998 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 861' ' ' SER . . . . . 0.594 ' OG ' ' NH2' ' A' ' 864' ' ' ARG . 43.0 m -45.99 -26.63 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.055 -178.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -53.22 -37.68 55.22 Favored Glycine 0 C--O 1.226 -0.375 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 177.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 863' ' ' HIS . . . . . 0.516 ' CE1' HD22 ' A' ' 860' ' ' ASN . 0.3 OUTLIER -68.66 -36.9 79.17 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 176.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 864' ' ' ARG . . . . . 0.594 ' NH2' ' OG ' ' A' ' 861' ' ' SER . 74.4 mtm180 -68.9 -53.54 20.54 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 177.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -57.26 -50.25 73.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.003 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 866' ' ' ARG . . . . . 0.59 ' NH2' ' O ' ' A' ' 823' ' ' ILE . 68.8 mtp85 -58.03 -48.92 78.62 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.429 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 10.5 mm -57.9 -52.69 54.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.495 -0.482 . . . . 0.0 109.957 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.03 -54.08 44.2 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 869' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -58.93 -44.58 91.37 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.483 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 870' ' ' ALA . . . . . . . . . . . . . . . -58.84 -49.28 78.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.705 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.5 HG22 ' SD ' ' A' ' 843' ' ' MET . 48.0 pt -67.59 -42.58 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 120.021 -0.672 . . . . 0.0 110.418 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 872' ' ' GLN . . . . . 0.444 ' NE2' ' SD ' ' A' ' 848' ' ' MET . 69.4 mt-30 -55.88 -38.45 70.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.361 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -78.25 -17.78 56.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.86 -178.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 874' ' ' LEU . . . . . 0.432 ' CD1' ' HA ' ' A' ' 871' ' ' ILE . 58.2 mt -55.98 147.9 41.77 Favored Pre-proline 0 N--CA 1.469 0.479 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.069 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.36 116.72 3.15 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 122.533 2.156 . . . . 0.0 111.616 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 876' ' ' LYS . . . . . 0.597 ' NZ ' ' OG ' ' A' ' 845' ' ' SER . 3.3 tptp . . . . . 0 C--O 1.205 -1.243 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.252 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 814' ' ' GLN . . . . . 0.421 ' HB3' ' H ' ' A' ' 815' ' ' THR . 45.0 mt-30 . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 815' ' ' THR . . . . . 0.421 ' H ' ' HB3' ' A' ' 814' ' ' GLN . 1.7 p -77.76 166.66 22.68 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 816' ' ' VAL . . . . . . . . . . . . . 3.1 m -59.58 101.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.434 0.635 . . . . 0.0 110.814 -176.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . -173.57 -91.73 0.08 OUTLIER Glycine 0 CA--C 1.52 0.37 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 818' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 822' ' ' SER . 9.7 mp0 -51.31 -29.03 13.68 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 120.987 0.423 . . . . 0.0 110.005 178.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 12.4 t90 -57.98 -54.57 45.42 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.683 178.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 820' ' ' LEU . . . . . . . . . . . . . 5.8 mt -55.03 -38.54 68.09 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.823 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -67.33 -46.0 74.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.349 176.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 822' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 818' ' ' GLN . 9.1 m -53.01 -51.24 62.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.053 178.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 823' ' ' ILE . . . . . 0.578 ' O ' ' NH2' ' A' ' 866' ' ' ARG . 6.2 pt -76.4 -12.5 14.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.092 178.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 66.05 46.27 81.92 Favored Glycine 0 N--CA 1.453 -0.227 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . . . . . . . . . 28.6 mt -129.69 58.27 36.58 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 120.641 0.258 . . . . 0.0 111.175 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 826' ' ' PRO . . . . . 0.481 ' O ' ' HB3' ' A' ' 827' ' ' GLN . 35.6 Cg_endo -67.46 122.57 9.81 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.044 1.83 . . . . 0.0 111.045 179.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 827' ' ' GLN . . . . . 0.481 ' HB3' ' O ' ' A' ' 826' ' ' PRO . 0.7 OUTLIER 152.24 -16.97 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.497 0.719 . . . . 0.0 110.418 179.466 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 828' ' ' TYR . . . . . 0.441 ' CZ ' ' HG3' ' A' ' 827' ' ' GLN . 38.8 m-85 -105.54 -2.62 23.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.635 -177.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 829' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -45.48 -72.49 0.06 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.032 0.444 . . . . 0.0 110.576 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -36.36 71.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.978 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 831' ' ' HIS . . . . . 0.605 ' NE2' ' O ' ' A' ' 856' ' ' ILE . 2.8 t-160 -53.73 -57.46 10.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.329 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 6.3 mp -62.37 -49.48 75.4 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.75 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 18.8 tpp -54.02 -55.96 22.41 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.548 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -50.06 -40.34 44.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.37 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.514 ' ND2' ' CE1' ' A' ' 837' ' ' PHE . 27.2 t30 -85.39 5.65 29.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.921 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 64.57 17.02 61.78 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 837' ' ' PHE . . . . . 0.514 ' CE1' ' ND2' ' A' ' 835' ' ' ASN . 3.4 m-30 -80.93 58.1 3.29 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.833 0.349 . . . . 0.0 110.436 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -96.52 175.83 6.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.576 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 839' ' ' ASN . . . . . 0.473 ' ND2' ' CG ' ' A' ' 842' ' ' PHE . 37.3 t30 61.53 62.89 1.25 Allowed 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.551 0.691 . . . . 0.0 109.271 -178.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 840' ' ' VAL . . . . . 0.402 ' HB ' HD11 ' A' ' 874' ' ' LEU . 27.2 m -44.94 -43.74 2.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.951 -176.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 841' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.17 -40.21 61.13 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.755 179.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 842' ' ' PHE . . . . . 0.473 ' CG ' ' ND2' ' A' ' 839' ' ' ASN . 3.2 m-30 -67.73 -46.43 72.18 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 843' ' ' MET . . . . . . . . . . . . . 90.3 mtp -48.41 -55.73 10.05 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 844' ' ' GLY . . . . . . . . . . . . . . . -59.81 -38.42 93.95 Favored Glycine 0 C--O 1.234 0.152 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 178.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.8 t -78.69 2.23 20.27 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 846' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 842' ' ' PHE . 0.0 OUTLIER -100.2 -55.6 2.58 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . 0.417 ' N ' ' CG ' ' A' ' 846' ' ' ASN . 31.1 m -153.79 150.91 11.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 848' ' ' MET . . . . . . . . . . . . . 33.6 mtm -123.96 100.87 6.95 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 173.28 -178.59 0.08 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.418 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 850' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 854' ' ' LEU . 3.8 p-10 -71.08 -25.22 62.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.641 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -48.17 -51.71 23.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.185 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -57.81 -52.57 64.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.404 0.621 . . . . 0.0 109.651 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 6.7 mt -57.86 -33.59 68.83 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.617 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 854' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 850' ' ' ASP . 1.0 OUTLIER -70.55 -40.08 73.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.544 177.673 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -53.4 -53.67 47.86 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 856' ' ' ILE . . . . . 0.605 ' O ' ' NE2' ' A' ' 831' ' ' HIS . 0.0 OUTLIER -64.39 -34.09 67.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 176.663 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 95.7 43.33 3.4 Favored Glycine 0 C--O 1.228 -0.262 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.479 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 858' ' ' ILE . . . . . 0.464 ' O ' ' NH1' ' A' ' 864' ' ' ARG . 12.7 mm -60.18 144.97 12.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 19.8 mt -96.16 -73.26 0.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.91 0.386 . . . . 0.0 111.187 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 860' ' ' ASN . . . . . 0.558 ' OD1' ' ND1' ' A' ' 863' ' ' HIS . 29.3 t-20 -62.99 121.12 12.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.281 -178.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 861' ' ' SER . . . . . 0.554 ' OG ' ' NH2' ' A' ' 864' ' ' ARG . 32.5 m -69.55 -31.96 70.48 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.042 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -55.8 -52.36 49.08 Favored Glycine 0 C--O 1.235 0.192 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 863' ' ' HIS . . . . . 0.558 ' ND1' ' OD1' ' A' ' 860' ' ' ASN . 25.3 m80 -63.22 -43.36 98.31 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 176.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 864' ' ' ARG . . . . . 0.554 ' NH2' ' OG ' ' A' ' 861' ' ' SER . 5.4 ttp180 -51.42 -54.46 26.55 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.722 177.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -53.84 -43.27 69.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.272 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 866' ' ' ARG . . . . . 0.578 ' NH2' ' O ' ' A' ' 823' ' ' ILE . 16.5 mmm180 -61.59 -46.31 90.41 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 1.4 mm -63.25 -43.68 98.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 49.4 tp -54.71 -54.93 35.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.603 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 869' ' ' GLN . . . . . 0.4 ' HG3' ' N ' ' A' ' 870' ' ' ALA . 8.8 pt20 -60.55 -38.79 85.62 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.048 179.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 870' ' ' ALA . . . . . 0.4 ' N ' ' HG3' ' A' ' 869' ' ' GLN . . . -59.73 -49.64 76.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.765 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . . . . . . . . . 23.6 pt -65.34 -37.18 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.009 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 872' ' ' GLN . . . . . 0.599 ' O ' ' NZ ' ' A' ' 876' ' ' LYS . 91.8 mt-30 -61.85 -37.99 86.57 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 3.4 mp -75.25 -36.43 61.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.98 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 874' ' ' LEU . . . . . 0.548 ' O ' ' NZ ' ' A' ' 876' ' ' LYS . 19.5 mt -48.41 142.85 7.91 Favored Pre-proline 0 N--CA 1.469 0.505 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.245 -178.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -65.45 123.82 12.0 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.514 2.142 . . . . 0.0 110.907 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 876' ' ' LYS . . . . . 0.599 ' NZ ' ' O ' ' A' ' 872' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.207 -1.144 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.877 -177.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 814' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.07 156.75 28.2 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.313 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 816' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -63.47 106.38 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.768 -178.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . -164.65 -82.73 0.05 OUTLIER Glycine 0 CA--C 1.519 0.339 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -52.08 -35.38 47.53 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 120.856 0.36 . . . . 0.0 110.36 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 39.4 t90 -56.53 -50.51 71.63 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 820' ' ' LEU . . . . . 0.421 ' HB3' ' O ' ' A' ' 825' ' ' LEU . 57.6 mt -56.2 -48.53 76.23 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.247 178.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -61.76 -45.19 94.96 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.902 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 16.3 m -57.95 -40.32 80.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.302 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 823' ' ' ILE . . . . . 0.569 ' O ' ' NE ' ' A' ' 866' ' ' ARG . 46.0 pt -79.28 3.26 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.054 178.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 76.86 21.71 73.64 Favored Glycine 0 C--N 1.329 0.193 0 N-CA-C 111.581 -0.608 . . . . 0.0 111.581 178.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . 0.477 ' CD1' HG12 ' A' ' 867' ' ' ILE . 43.4 mt -118.98 74.29 13.04 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.786 0.293 . . . . 0.0 110.834 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 826' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -73.98 152.24 46.01 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.01 1.807 . . . . 0.0 111.306 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 827' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 72.01 50.5 0.23 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.394 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 828' ' ' TYR . . . . . 0.552 ' OH ' ' ND1' ' A' ' 863' ' ' HIS . 23.4 m-85 -133.51 -2.87 3.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.329 177.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 829' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.24 -58.49 6.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.346 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 830' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 831' ' ' HIS . 34.9 p-10 -48.87 -51.05 31.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.857 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 831' ' ' HIS . . . . . 0.513 ' N ' ' OD1' ' A' ' 830' ' ' ASN . 45.4 m80 -51.26 -58.21 6.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.508 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 9.7 mp -63.45 -52.02 63.2 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.457 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 32.1 tpp -53.31 -51.0 63.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.378 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -57.44 -45.3 84.87 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.094 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -74.28 4.97 4.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.588 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 69.08 14.59 68.55 Favored Glycine 0 CA--C 1.518 0.28 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 837' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.76 70.15 1.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.95 0.405 . . . . 0.0 110.088 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.27 158.37 15.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.973 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 839' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 63.38 83.67 0.16 Allowed 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.08 0.467 . . . . 0.0 110.117 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 840' ' ' VAL . . . . . 0.589 ' HA ' ' SD ' ' A' ' 843' ' ' MET . 27.4 m -47.64 -42.49 8.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.967 -179.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 841' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -55.08 -51.93 64.81 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 842' ' ' PHE . . . . . 0.595 ' O ' ' N ' ' A' ' 846' ' ' ASN . 1.7 m-85 -61.84 -54.63 39.52 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.56 178.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 843' ' ' MET . . . . . 0.589 ' SD ' ' HA ' ' A' ' 840' ' ' VAL . 8.0 mtp -46.63 -55.65 7.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.015 0.436 . . . . 0.0 110.243 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 844' ' ' GLY . . . . . . . . . . . . . . . -62.99 -19.69 61.56 Favored Glycine 0 CA--C 1.517 0.19 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 19.2 m -99.55 -22.54 15.42 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.86 -0.2 . . . . 0.0 111.49 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 846' ' ' ASN . . . . . 0.595 ' N ' ' O ' ' A' ' 842' ' ' PHE . 17.3 t30 -88.75 -57.12 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -176.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 12.3 p -155.16 131.85 2.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.701 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 848' ' ' MET . . . . . 0.635 ' SD ' ' N ' ' A' ' 848' ' ' MET . 0.0 OUTLIER -140.69 102.55 4.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.645 177.786 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 849' ' ' GLU . . . . . 0.403 ' CD ' ' H ' ' A' ' 850' ' ' ASP . 2.4 mm-40 -170.41 -171.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.255 0.55 . . . . 0.0 111.897 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 850' ' ' ASP . . . . . 0.496 ' OD2' ' NH1' ' A' ' 864' ' ' ARG . 0.1 OUTLIER -60.5 -49.06 79.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.706 -177.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -47.52 -47.43 27.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.38 -176.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.32 -55.86 29.52 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.329 0.585 . . . . 0.0 109.979 179.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 9.7 mt -56.89 -35.02 68.48 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.431 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 4.0 mp -64.69 -47.72 77.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.732 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -47.75 -48.98 29.66 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.268 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 856' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.23 2.92 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.818 178.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 53.73 43.24 69.33 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 858' ' ' ILE . . . . . . . . . . . . . 13.2 mm -63.69 85.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.907 0.384 . . . . 0.0 110.425 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 1.5 mp -55.91 -40.24 72.79 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.165 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 860' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.42 85.91 0.11 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.166 -178.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -46.74 -42.14 16.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.631 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -56.8 -52.01 53.45 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 863' ' ' HIS . . . . . 0.552 ' ND1' ' OH ' ' A' ' 828' ' ' TYR . 43.3 m170 -57.72 -41.01 80.88 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 864' ' ' ARG . . . . . 0.496 ' NH1' ' OD2' ' A' ' 850' ' ' ASP . 0.8 OUTLIER -52.1 -56.39 14.76 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.397 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.99 -41.97 93.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.886 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 866' ' ' ARG . . . . . 0.569 ' NE ' ' O ' ' A' ' 823' ' ' ILE . 9.5 tpt180 -58.06 -50.54 73.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.833 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . 0.477 HG12 ' CD1' ' A' ' 825' ' ' LEU . 3.8 mm -59.29 -45.7 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 33.7 mt -57.08 -55.44 34.73 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.783 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 869' ' ' GLN . . . . . 0.539 ' OE1' ' NH1' ' A' ' 866' ' ' ARG . 3.9 pt20 -60.68 -42.24 96.7 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.271 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 870' ' ' ALA . . . . . 0.523 ' N ' ' HG3' ' A' ' 869' ' ' GLN . . . -59.16 -48.81 80.26 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.427 ' HA ' ' CD1' ' A' ' 874' ' ' LEU . 0.1 OUTLIER -61.86 -47.09 94.86 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.819 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -59.58 -22.31 61.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.264 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . 0.559 ' O ' ' NZ ' ' A' ' 876' ' ' LYS . 0.7 OUTLIER -86.85 -4.5 59.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.074 -179.618 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 874' ' ' LEU . . . . . 0.515 ' HB2' ' HD3' ' A' ' 875' ' ' PRO . 80.0 mt -75.55 -49.34 3.76 Favored Pre-proline 0 C--N 1.328 -0.347 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.395 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 875' ' ' PRO . . . . . 0.515 ' HD3' ' HB2' ' A' ' 874' ' ' LEU . 77.5 Cg_exo -47.11 99.24 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 122.352 2.035 . . . . 0.0 111.758 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 876' ' ' LYS . . . . . 0.559 ' NZ ' ' O ' ' A' ' 873' ' ' LEU . 19.2 mttp . . . . . 0 C--O 1.208 -1.126 0 CA-C-O 118.131 -0.938 . . . . 0.0 110.423 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 814' ' ' GLN . . . . . 0.524 ' N ' ' OE1' ' A' ' 818' ' ' GLN . 6.0 tt0 . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.04 165.19 24.32 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.478 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 816' ' ' VAL . . . . . . . . . . . . . 12.8 m -63.07 84.58 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-O 121.399 0.618 . . . . 0.0 110.124 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 177.56 -67.41 0.08 OUTLIER Glycine 0 C--N 1.312 -0.792 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 818' ' ' GLN . . . . . 0.524 ' OE1' ' N ' ' A' ' 814' ' ' GLN . 3.4 tm0? -51.23 -46.04 62.15 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 176.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 42.0 t90 -56.85 -53.97 51.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.57 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 820' ' ' LEU . . . . . . . . . . . . . 56.5 mt -53.57 -46.26 70.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.046 178.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.54 -49.68 76.55 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 7.1 m -52.5 -45.33 66.15 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.721 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 823' ' ' ILE . . . . . 0.556 ' O ' ' NH1' ' A' ' 866' ' ' ARG . 21.6 pt -83.29 6.79 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 120.957 0.408 . . . . 0.0 110.747 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 65.02 38.04 94.96 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.761 -0.535 . . . . 0.0 111.761 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 825' ' ' LEU . . . . . 0.597 ' N ' ' CD ' ' A' ' 826' ' ' PRO . 77.1 mt -131.2 41.0 0.66 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.62 0.21 . . . . 0.0 110.848 178.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 826' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 825' ' ' LEU . 48.1 Cg_endo -70.03 122.66 9.26 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 122.06 1.84 . . . . 0.0 111.097 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 827' ' ' GLN . . . . . 0.48 ' HB3' ' O ' ' A' ' 826' ' ' PRO . 1.8 pt20 151.58 -13.28 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.678 0.791 . . . . 0.0 109.706 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 828' ' ' TYR . . . . . 0.573 ' OH ' ' ND1' ' A' ' 863' ' ' HIS . 60.3 m-85 -103.69 -2.12 27.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.104 -177.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 829' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.93 -77.34 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.033 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -55.63 -38.05 69.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.886 178.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 831' ' ' HIS . . . . . 0.578 ' NE2' ' O ' ' A' ' 856' ' ' ILE . 1.6 t-160 -49.89 -52.71 30.83 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.151 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 2.2 mp -59.25 -52.17 66.82 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 7.5 mtp -52.22 -54.73 27.33 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.919 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -49.18 -51.34 33.26 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.335 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -70.13 -3.67 17.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.964 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 77.45 26.89 60.4 Favored Glycine 0 C--O 1.236 0.256 0 N-CA-C 110.529 -1.029 . . . . 0.0 110.529 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 837' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -98.14 83.3 3.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.814 0.34 . . . . 0.0 110.185 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 838' ' ' ASP . . . . . 0.47 ' CG ' ' N ' ' A' ' 839' ' ' ASN . 16.3 t70 -102.66 168.44 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.735 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 839' ' ' ASN . . . . . 0.47 ' N ' ' CG ' ' A' ' 838' ' ' ASP . 55.9 t-20 52.37 81.38 0.08 Allowed 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.333 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 840' ' ' VAL . . . . . . . . . . . . . 27.5 m -53.57 -42.28 49.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.672 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 841' ' ' GLN . . . . . 0.414 HE21 ' C ' ' A' ' 875' ' ' PRO . 0.6 OUTLIER -59.55 -48.42 81.74 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 178.681 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 842' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 846' ' ' ASN . 89.2 t80 -60.94 -48.19 82.95 Favored 'General case' 0 CA--C 1.505 -0.768 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 843' ' ' MET . . . . . . . . . . . . . 38.9 mtp -46.1 -56.32 5.79 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 844' ' ' GLY . . . . . 0.465 ' CA ' ' HB ' ' A' ' 871' ' ' ILE . . . -57.58 -35.66 74.27 Favored Glycine 0 C--O 1.226 -0.355 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 178.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.6 m -92.78 13.62 19.72 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.647 0.26 . . . . 0.0 110.794 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 846' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 842' ' ' PHE . 12.8 t-20 -129.67 -52.32 1.16 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.458 -177.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 6.1 p -152.27 130.29 2.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.912 0.387 . . . . 0.0 110.683 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 848' ' ' MET . . . . . 0.641 ' SD ' ' HG2' ' A' ' 872' ' ' GLN . 9.2 mtm -139.22 101.8 4.35 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -172.49 157.39 3.96 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.236 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 850' ' ' ASP . . . . . 0.426 ' OD2' ' NH2' ' A' ' 864' ' ' ARG . 0.9 OUTLIER -46.29 -38.92 9.26 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.12 179.538 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -50.88 -31.02 16.14 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.99 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 852' ' ' ASP . . . . . 0.547 ' CG ' ' N ' ' A' ' 853' ' ' LEU . 0.0 OUTLIER -70.6 -61.72 1.66 Allowed 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.563 -179.503 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.547 ' N ' ' CG ' ' A' ' 852' ' ' ASP . 0.4 OUTLIER -56.79 -36.52 69.97 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.722 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -60.87 -41.89 96.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.543 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.14 -59.22 5.24 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.753 178.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 856' ' ' ILE . . . . . 0.578 ' O ' ' NE2' ' A' ' 831' ' ' HIS . 0.0 OUTLIER -58.77 -29.87 41.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 177.852 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 96.93 35.4 5.35 Favored Glycine 0 CA--C 1.517 0.202 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 858' ' ' ILE . . . . . 0.462 ' HB ' ' CD2' ' A' ' 853' ' ' LEU . 2.4 mm -97.46 85.83 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 178.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 10.5 mt -76.07 -24.86 55.12 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.972 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 860' ' ' ASN . . . . . 0.458 ' HB3' ' CG ' ' A' ' 863' ' ' HIS . 1.0 OUTLIER -43.22 101.27 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.675 -179.279 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.59 -52.29 10.81 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.384 -178.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -57.59 -42.42 94.1 Favored Glycine 0 C--N 1.322 -0.214 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 863' ' ' HIS . . . . . 0.573 ' ND1' ' OH ' ' A' ' 828' ' ' TYR . 29.4 m170 -69.25 -42.15 76.01 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 864' ' ' ARG . . . . . 0.426 ' NH2' ' OD2' ' A' ' 850' ' ' ASP . 1.5 mmm180 -52.52 -56.59 14.14 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.752 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -64.73 -45.29 87.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.936 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 866' ' ' ARG . . . . . 0.556 ' NH1' ' O ' ' A' ' 823' ' ' ILE . 19.3 ttm180 -58.53 -55.18 38.36 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.639 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 5.3 mm -53.63 -54.01 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.165 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.41 -54.84 35.35 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.102 0.477 . . . . 0.0 110.039 178.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 869' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -57.67 -43.55 85.09 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.007 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 870' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 866' ' ' ARG . . . -60.06 -49.84 76.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.037 -178.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 871' ' ' ILE . . . . . 0.465 ' HB ' ' CA ' ' A' ' 844' ' ' GLY . 41.0 pt -66.5 -37.66 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.852 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 872' ' ' GLN . . . . . 0.641 ' HG2' ' SD ' ' A' ' 848' ' ' MET . 1.1 mt-30 -59.19 -31.82 69.36 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.05 178.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -80.71 -20.84 41.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.259 -178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 874' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.98 147.02 95.03 Favored Pre-proline 0 C--N 1.327 -0.372 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.097 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 875' ' ' PRO . . . . . 0.414 ' C ' HE21 ' A' ' 841' ' ' GLN . 60.9 Cg_endo -76.31 178.44 7.51 Favored 'Trans proline' 0 C--N 1.309 -1.553 0 C-N-CA 122.415 2.077 . . . . 0.0 110.994 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 876' ' ' LYS . . . . . . . . . . . . . 1.2 pttm . . . . . 0 C--O 1.209 -1.066 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.706 179.202 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.585 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 816' ' ' VAL . . . . . 0.841 HG11 HD22 ' A' ' 832' ' ' LEU . 2.3 t -61.87 117.47 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.885 0.374 . . . . 0.0 110.366 -177.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 174.47 -75.64 0.08 OUTLIER Glycine 0 CA--C 1.519 0.29 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 818' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 822' ' ' SER . 1.5 mt-30 -51.12 -35.75 37.07 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 819' ' ' TRP . . . . . 0.43 ' HZ2' ' N ' ' A' ' 871' ' ' ILE . 30.0 t90 -55.52 -51.08 68.24 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.603 178.086 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 820' ' ' LEU . . . . . . . . . . . . . 27.4 mt -66.28 -41.55 89.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.126 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -64.96 -39.3 93.28 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.78 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 822' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 818' ' ' GLN . 50.4 m -55.0 -50.9 67.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.829 178.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 823' ' ' ILE . . . . . 0.787 HG21 ' HB2' ' A' ' 870' ' ' ALA . 17.5 pt -75.5 1.67 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.884 177.078 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 824' ' ' GLY . . . . . 0.402 ' C ' ' HD3' ' A' ' 826' ' ' PRO . . . 61.69 43.59 99.06 Favored Glycine 0 CA--C 1.516 0.114 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 825' ' ' LEU . . . . . 0.508 HD21 ' CZ ' ' A' ' 866' ' ' ARG . 96.0 mt -130.27 62.69 65.86 Favored Pre-proline 0 C--O 1.235 0.326 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.424 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 826' ' ' PRO . . . . . 0.448 ' HD3' ' N ' ' A' ' 825' ' ' LEU . 27.6 Cg_exo -60.5 168.48 6.57 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 122.407 2.072 . . . . 0.0 111.387 178.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 827' ' ' GLN . . . . . 0.452 ' O ' ' ND1' ' A' ' 831' ' ' HIS . 62.2 mt-30 79.44 3.3 2.24 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.228 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 828' ' ' TYR . . . . . 0.411 ' HA ' ' HB2' ' A' ' 831' ' ' HIS . 9.0 m-30 -104.06 -3.89 23.97 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.11 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 829' ' ' GLU . . . . . 0.657 ' CD ' ' H ' ' A' ' 829' ' ' GLU . 0.0 OUTLIER -70.25 -55.19 9.87 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.004 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 830' ' ' ASN . . . . . 0.476 ' H ' ' CD ' ' A' ' 829' ' ' GLU . 11.0 m-80 -54.96 -41.47 71.17 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 831' ' ' HIS . . . . . 0.452 ' ND1' ' O ' ' A' ' 827' ' ' GLN . 20.8 m80 -55.57 -54.07 48.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.936 178.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 832' ' ' LEU . . . . . 0.841 HD22 HG11 ' A' ' 816' ' ' VAL . 1.5 mp -55.76 -50.91 69.14 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 833' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 829' ' ' GLU . 30.9 mmt -55.42 -48.06 74.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.096 178.06 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -55.46 -34.43 64.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.256 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.436 ' O ' ' ND2' ' A' ' 835' ' ' ASN . 0.1 OUTLIER -88.23 6.55 36.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.12 178.841 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 65.29 23.82 70.23 Favored Glycine 0 N--CA 1.454 -0.107 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 837' ' ' PHE . . . . . 0.409 ' CE1' HG11 ' A' ' 847' ' ' VAL . 1.4 m-85 -89.14 128.58 35.79 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -144.91 169.2 18.52 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.978 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 839' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 56.15 76.43 0.29 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.235 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 840' ' ' VAL . . . . . 0.792 ' CG1' HG13 ' A' ' 816' ' ' VAL . 34.2 m -45.83 -39.18 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.658 -179.133 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 841' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 875' ' ' PRO . 54.0 tp60 -58.32 -58.9 6.46 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.179 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 842' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -50.27 -47.86 55.1 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 843' ' ' MET . . . . . 0.445 ' HA ' HG12 ' A' ' 847' ' ' VAL . 88.8 mtp -54.64 -56.59 17.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.195 178.02 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 844' ' ' GLY . . . . . 0.596 ' HA2' ' HB ' ' A' ' 871' ' ' ILE . . . -62.47 -14.3 48.47 Favored Glycine 0 CA--C 1.511 -0.159 0 N-CA-C 111.574 -0.61 . . . . 0.0 111.574 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.19 1.68 20.46 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.755 0.312 . . . . 0.0 110.338 179.024 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 846' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -131.59 -54.22 1.01 Allowed 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 847' ' ' VAL . . . . . 0.445 HG12 ' HA ' ' A' ' 843' ' ' MET . 1.2 p -108.26 119.23 57.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.092 0.472 . . . . 0.0 111.754 -177.165 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 848' ' ' MET . . . . . . . . . . . . . 11.6 mtt -139.48 101.55 4.26 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 176.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -167.18 154.8 9.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.562 -178.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 850' ' ' ASP . . . . . 0.427 ' OD1' ' NE ' ' A' ' 864' ' ' ARG . 35.6 t70 -71.51 -48.67 47.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.143 177.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -39.08 47.6 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.748 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 852' ' ' ASP . . . . . 0.499 ' O ' ' HB2' ' A' ' 855' ' ' GLU . 0.6 OUTLIER -60.27 -41.56 93.55 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.212 179.798 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 29.7 mt -57.89 -42.2 84.18 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 176.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 854' ' ' LEU . . . . . 0.428 ' HA ' HD22 ' A' ' 854' ' ' LEU . 0.2 OUTLIER -64.83 -41.28 95.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.337 176.502 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 855' ' ' GLU . . . . . 0.499 ' HB2' ' O ' ' A' ' 852' ' ' ASP . 11.3 mm-40 -51.82 -50.77 60.18 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.988 178.346 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 856' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 852' ' ' ASP . 0.1 OUTLIER -67.97 -13.58 17.14 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 179.208 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 95.73 17.25 36.38 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.665 -0.574 . . . . 0.0 111.665 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 858' ' ' ILE . . . . . . . . . . . . . 8.9 mm -74.66 98.14 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.96 -74.0 0.26 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.84 0.352 . . . . 0.0 111.353 -177.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 860' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -38.4 110.81 0.14 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.251 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 861' ' ' SER . . . . . 0.588 ' HA ' ' NH1' ' A' ' 864' ' ' ARG . 37.4 m -54.84 -38.08 66.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.701 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -54.46 -47.49 69.19 Favored Glycine 0 N--CA 1.451 -0.327 0 N-CA-C 108.939 -1.665 . . . . 0.0 108.939 176.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 863' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -62.75 -49.03 76.64 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 864' ' ' ARG . . . . . 0.588 ' NH1' ' HA ' ' A' ' 861' ' ' SER . 19.8 mtm-85 -52.23 -52.12 54.27 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.13 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -56.82 -47.48 80.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.984 178.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 866' ' ' ARG . . . . . 0.508 ' CZ ' HD21 ' A' ' 825' ' ' LEU . 51.1 mtp180 -58.48 -48.22 81.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.043 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.449 ' O ' ' HB3' ' A' ' 870' ' ' ALA . 5.8 mm -59.68 -44.83 94.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 868' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 868' ' ' LEU . 12.4 tp -56.53 -47.01 80.29 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 869' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -66.72 -34.45 77.88 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.606 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 870' ' ' ALA . . . . . 0.787 ' HB2' HG21 ' A' ' 823' ' ' ILE . . . -59.06 -47.87 83.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.524 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.596 ' HB ' ' HA2' ' A' ' 844' ' ' GLY . 21.7 pt -67.66 -37.92 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 119.8 -0.76 . . . . 0.0 109.631 178.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -59.85 -32.4 70.65 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.796 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.86 -29.37 69.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.086 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 874' ' ' LEU . . . . . . . . . . . . . 61.8 mt -71.28 125.61 91.88 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.47 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 875' ' ' PRO . . . . . 0.49 ' O ' ' NE2' ' A' ' 841' ' ' GLN . 88.7 Cg_exo . . . . . 0 N--CA 1.495 1.571 0 C-N-CA 122.846 2.364 . . . . 0.0 112.099 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 815' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 817' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--O 1.236 0.354 0 CA-C-O 121.135 0.493 . . . . 0.0 110.935 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 816' ' ' VAL . . . . . 0.409 ' O ' ' HB3' ' A' ' 829' ' ' GLU . 2.8 m -63.83 72.71 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.377 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 817' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 815' ' ' THR . . . -157.85 -78.03 0.02 OUTLIER Glycine 0 C--N 1.315 -0.588 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 818' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 822' ' ' SER . 1.7 tp60 -51.45 -43.17 62.0 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.305 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 819' ' ' TRP . . . . . 0.482 ' CE3' HD11 ' A' ' 823' ' ' ILE . 57.3 t90 -52.86 -57.03 11.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.45 176.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 820' ' ' LEU . . . . . 0.538 HD13 ' HB2' ' A' ' 828' ' ' TYR . 28.0 mt -54.75 -50.56 68.12 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.963 177.128 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.2 -30.39 64.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.092 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 822' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 818' ' ' GLN . 7.3 m -69.37 -51.03 40.64 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.999 177.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 823' ' ' ILE . . . . . 0.624 ' HB ' HD11 ' A' ' 825' ' ' LEU . 0.0 OUTLIER -60.66 -34.75 59.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.567 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 824' ' ' GLY . . . . . 0.645 ' C ' HD13 ' A' ' 825' ' ' LEU . . . 110.73 31.81 2.85 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.654 176.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 825' ' ' LEU . . . . . 0.71 ' N ' HD13 ' A' ' 825' ' ' LEU . 0.0 OUTLIER -145.6 86.06 7.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 117.437 0.619 . . . . 0.0 112.345 177.667 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 826' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -66.98 168.91 16.02 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.298 1.999 . . . . 0.0 110.662 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 827' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 71.37 27.14 3.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.179 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 828' ' ' TYR . . . . . 0.61 ' CE2' HD12 ' A' ' 858' ' ' ILE . 1.4 m-85 -104.39 -4.81 22.37 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 176.471 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 829' ' ' GLU . . . . . 0.409 ' HB3' ' O ' ' A' ' 816' ' ' VAL . 0.0 OUTLIER -66.77 -66.23 0.58 Allowed 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.906 179.671 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 830' ' ' ASN . . . . . 0.468 ' OD1' ' ND1' ' A' ' 831' ' ' HIS . 29.0 p-10 -45.56 -39.59 7.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.992 178.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 831' ' ' HIS . . . . . 0.468 ' ND1' ' OD1' ' A' ' 830' ' ' ASN . 70.3 m80 -63.59 -58.7 6.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.259 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 832' ' ' LEU . . . . . 0.416 HD21 ' SD ' ' A' ' 843' ' ' MET . 6.1 mp -59.44 -45.37 91.78 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.941 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 32.4 mmt -57.23 -55.03 40.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.348 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -50.73 -52.27 41.99 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.511 ' HB2' HG23 ' A' ' 856' ' ' ILE . 3.7 t-20 -62.54 -18.61 62.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.377 177.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 82.18 28.09 42.18 Favored Glycine 0 C--N 1.323 -0.179 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 837' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -96.84 82.53 3.28 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.964 0.411 . . . . 0.0 110.306 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 838' ' ' ASP . . . . . 0.403 ' CG ' ' N ' ' A' ' 839' ' ' ASN . 21.3 t70 -92.94 165.65 12.77 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.485 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 839' ' ' ASN . . . . . 0.403 ' N ' ' CG ' ' A' ' 838' ' ' ASP . 30.0 t-20 55.78 86.17 0.06 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.067 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 840' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 841' ' ' GLN . 31.3 m -45.85 -47.56 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.652 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 841' ' ' GLN . . . . . 0.469 ' N ' HG23 ' A' ' 840' ' ' VAL . 11.0 mm-40 -51.82 -54.54 27.7 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 842' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 846' ' ' ASN . 10.9 t80 -57.06 -49.36 76.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.641 178.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 843' ' ' MET . . . . . 0.416 ' SD ' HD21 ' A' ' 832' ' ' LEU . 6.2 ttt -46.75 -56.65 5.86 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.365 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 844' ' ' GLY . . . . . 0.519 ' CA ' ' HB ' ' A' ' 871' ' ' ILE . . . -63.7 -33.12 86.37 Favored Glycine 0 N--CA 1.459 0.223 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.4 m -88.91 8.34 29.83 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.675 0.274 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 846' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 842' ' ' PHE . 52.7 t-20 -130.33 -52.54 1.1 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -178.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 1.4 p -150.63 129.78 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.158 -0.617 . . . . 0.0 112.051 -176.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 848' ' ' MET . . . . . 0.402 ' HB3' ' CD1' ' A' ' 871' ' ' ILE . 0.0 OUTLIER -140.49 102.44 4.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.271 -0.877 . . . . 0.0 108.652 176.628 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.99 162.48 38.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.117 0.484 . . . . 0.0 111.826 -177.045 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 850' ' ' ASP . . . . . 0.5 ' CG ' HH22 ' A' ' 864' ' ' ARG . 4.5 t70 -70.72 -36.2 73.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.574 175.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -50.76 -40.27 54.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.033 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -60.57 -56.93 15.42 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.667 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.669 HD13 ' HB3' ' A' ' 864' ' ' ARG . 16.4 mt -55.29 -39.08 69.45 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.7 -48.57 74.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.563 176.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -49.23 -48.63 45.39 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.861 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 856' ' ' ILE . . . . . 0.511 HG23 ' HB2' ' A' ' 835' ' ' ASN . 0.0 OUTLIER -82.98 6.22 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.57 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 56.99 41.02 92.12 Favored Glycine 0 C--N 1.32 -0.358 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 858' ' ' ILE . . . . . 0.61 HD12 ' CE2' ' A' ' 828' ' ' TYR . 33.4 mm -67.14 133.15 31.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 859' ' ' LEU . . . . . 0.453 ' HA ' HD23 ' A' ' 859' ' ' LEU . 31.4 mt -96.49 -74.42 0.56 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.844 -178.302 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 860' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -41.75 103.11 0.03 OUTLIER 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.97 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.95 -37.78 72.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.493 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -57.92 -52.06 54.49 Favored Glycine 0 CA--C 1.508 -0.37 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 863' ' ' HIS . . . . . 0.579 ' CG ' ' HB3' ' A' ' 825' ' ' LEU . 2.6 m-70 -60.76 -39.71 89.77 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 177.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 864' ' ' ARG . . . . . 0.669 ' HB3' HD13 ' A' ' 853' ' ' LEU . 0.3 OUTLIER -55.28 -57.72 10.65 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.41 179.358 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -65.25 -36.12 83.14 Favored 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.437 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 866' ' ' ARG . . . . . 0.589 ' NH1' ' O ' ' A' ' 823' ' ' ILE . 0.3 OUTLIER -57.61 -54.27 48.78 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 177.269 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 4.1 mm -57.03 -53.3 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.273 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 7.1 tp -53.88 -53.06 57.87 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.688 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 869' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -66.14 -40.42 90.58 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.187 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 870' ' ' ALA . . . . . 0.454 ' CB ' HD13 ' A' ' 823' ' ' ILE . . . -59.67 -49.92 75.86 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.519 ' HB ' ' CA ' ' A' ' 844' ' ' GLY . 40.0 pt -61.12 -40.68 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 C-N-CA 119.57 -0.852 . . . . 0.0 109.368 178.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -64.85 -18.57 65.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.964 176.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 873' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' A' ' 873' ' ' LEU . 0.2 OUTLIER -90.04 -0.85 57.81 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.603 179.2 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 874' ' ' LEU . . . . . 0.511 ' HB2' ' HD3' ' A' ' 875' ' ' PRO . 97.2 mt -84.72 -52.32 0.52 Allowed Pre-proline 0 C--N 1.325 -0.497 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.546 -179.002 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 875' ' ' PRO . . . . . 0.511 ' HD3' ' HB2' ' A' ' 874' ' ' LEU . 74.3 Cg_endo . . . . . 0 N--CA 1.494 1.504 0 C-N-CA 122.321 2.014 . . . . 0.0 112.713 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 815' ' ' THR . . . . . 0.523 ' O ' ' N ' ' A' ' 817' ' ' GLY . 62.5 p . . . . . 0 C--O 1.241 0.614 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 816' ' ' VAL . . . . . 0.427 HG22 ' H ' ' A' ' 816' ' ' VAL . 4.4 m -63.05 72.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.247 0.546 . . . . 0.0 110.276 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 817' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 815' ' ' THR . . . -158.17 -81.61 0.04 OUTLIER Glycine 0 C--N 1.319 -0.413 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -43.72 63.53 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 819' ' ' TRP . . . . . 0.45 ' CH2' HG23 ' A' ' 871' ' ' ILE . 36.8 t90 -49.95 -55.89 12.76 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.829 177.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 820' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 829' ' ' GLU . 16.6 mt -54.93 -46.03 74.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.708 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -59.43 -43.05 93.17 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 1.6 m -52.94 -37.59 61.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.212 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 823' ' ' ILE . . . . . 0.641 ' CD1' HD12 ' A' ' 825' ' ' LEU . 12.2 pt -95.31 13.09 3.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.074 0.464 . . . . 0.0 110.423 177.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 58.63 41.94 95.92 Favored Glycine 0 N--CA 1.46 0.245 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.863 177.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 825' ' ' LEU . . . . . 0.641 HD12 ' CD1' ' A' ' 823' ' ' ILE . 15.7 mt -119.36 70.1 11.59 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 121.248 0.547 . . . . 0.0 110.885 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 826' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.96 165.25 32.95 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.844 2.363 . . . . 0.0 111.856 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 827' ' ' GLN . . . . . 0.442 ' O ' ' ND1' ' A' ' 831' ' ' HIS . 50.5 mt-30 69.12 -3.86 1.41 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.556 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 828' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -102.72 -3.14 26.92 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.57 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 829' ' ' GLU . . . . . 0.601 ' CD ' ' H ' ' A' ' 829' ' ' GLU . 0.1 OUTLIER -71.75 -49.52 38.39 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.627 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 830' ' ' ASN . . . . . 0.453 ' N ' ' HG2' ' A' ' 829' ' ' GLU . 15.6 m-80 -59.96 -34.65 73.55 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.358 176.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 831' ' ' HIS . . . . . 0.442 ' ND1' ' O ' ' A' ' 827' ' ' GLN . 16.5 m80 -57.09 -57.84 10.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.751 178.266 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 832' ' ' LEU . . . . . 0.587 HD22 ' SD ' ' A' ' 843' ' ' MET . 4.9 mt -64.59 -43.38 94.03 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.144 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -52.34 65.47 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -58.75 -42.8 89.69 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -67.78 -1.48 5.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.941 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 58.73 26.72 60.61 Favored Glycine 0 N--CA 1.451 -0.34 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 837' ' ' PHE . . . . . 0.424 ' CE1' ' HG2' ' A' ' 843' ' ' MET . 0.1 OUTLIER -105.16 97.91 7.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.677 0.275 . . . . 0.0 110.46 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -109.89 176.56 5.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.135 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 839' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 70.03 80.63 0.17 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.571 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 840' ' ' VAL . . . . . 0.422 ' CG1' ' CE3' ' A' ' 819' ' ' TRP . 29.0 m -52.54 -35.62 20.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.828 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 841' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -62.31 -57.34 11.72 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 842' ' ' PHE . . . . . 0.44 ' CD2' ' ND2' ' A' ' 846' ' ' ASN . 6.7 t80 -54.36 -45.42 72.76 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.442 178.067 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 843' ' ' MET . . . . . 0.587 ' SD ' HD22 ' A' ' 832' ' ' LEU . 10.6 mtp -55.43 -57.04 13.52 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.553 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 844' ' ' GLY . . . . . . . . . . . . . . . -57.29 -32.01 63.21 Favored Glycine 0 CA--C 1.507 -0.408 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.09 22.29 8.69 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 120.655 0.264 . . . . 0.0 111.187 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 846' ' ' ASN . . . . . 0.44 ' ND2' ' CD2' ' A' ' 842' ' ' PHE . 4.4 m-80 -129.85 -55.72 1.13 Allowed 'General case' 0 CA--C 1.507 -0.675 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.671 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 847' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 847' ' ' VAL . 14.9 p -154.5 127.05 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 C-N-CA 120.556 -0.457 . . . . 0.0 111.354 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 848' ' ' MET . . . . . 0.61 ' HB3' HD12 ' A' ' 871' ' ' ILE . 5.3 ptp -141.0 101.45 4.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.243 176.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 849' ' ' GLU . . . . . 0.465 ' N ' ' OD2' ' A' ' 852' ' ' ASP . 12.2 mt-10 -158.28 -172.35 3.84 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.103 0.478 . . . . 0.0 110.399 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 850' ' ' ASP . . . . . 0.545 ' HA ' ' CD ' ' A' ' 864' ' ' ARG . 20.0 p-10 -73.6 -54.94 7.0 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.081 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -48.39 -54.66 13.2 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.949 -177.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 852' ' ' ASP . . . . . 0.465 ' OD2' ' N ' ' A' ' 849' ' ' GLU . 0.0 OUTLIER -57.72 -53.06 62.45 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 120.7 0.286 . . . . 0.0 110.695 -178.484 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.874 HD13 ' HA ' ' A' ' 864' ' ' ARG . 40.8 mt -56.99 -41.15 77.91 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -47.24 77.38 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.589 177.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.08 -48.21 17.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.024 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 856' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.82 -34.8 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.04 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 95.16 43.22 3.55 Favored Glycine 0 CA--C 1.519 0.288 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 858' ' ' ILE . . . . . 0.568 HG21 ' CG ' ' A' ' 863' ' ' HIS . 4.2 mm -75.53 151.67 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -96.48 -74.58 0.56 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.556 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 860' ' ' ASN . . . . . 0.554 ' O ' ' ND1' ' A' ' 863' ' ' HIS . 29.5 t-20 -50.54 101.53 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.681 -178.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -45.28 -34.43 2.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -53.27 -27.8 33.08 Favored Glycine 0 C--N 1.322 -0.225 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 863' ' ' HIS . . . . . 0.568 ' CG ' HG21 ' A' ' 858' ' ' ILE . 40.6 p-80 -48.43 -46.1 37.2 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-O 120.593 0.235 . . . . 0.0 110.749 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 864' ' ' ARG . . . . . 0.874 ' HA ' HD13 ' A' ' 853' ' ' LEU . 0.3 OUTLIER -51.67 -57.28 9.65 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.713 -178.715 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -64.0 -49.76 71.19 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.327 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 866' ' ' ARG . . . . . 0.524 ' NH2' ' O ' ' A' ' 823' ' ' ILE . 16.5 mmm180 -58.75 -51.88 68.08 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.661 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.504 HG12 HD13 ' A' ' 825' ' ' LEU . 1.9 mm -64.36 -55.0 24.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.36 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 868' ' ' LEU . . . . . 0.598 HD12 ' C ' ' A' ' 868' ' ' LEU . 1.1 pp -52.83 -46.21 67.67 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.433 -177.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 869' ' ' GLN . . . . . 0.459 ' H ' ' HG ' ' A' ' 868' ' ' LEU . 68.8 mt-30 -63.87 -41.7 97.69 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.637 176.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 870' ' ' ALA . . . . . 0.477 ' CB ' HG21 ' A' ' 823' ' ' ILE . . . -59.74 -49.74 76.55 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.11 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.61 HD12 ' HB3' ' A' ' 848' ' ' MET . 0.1 OUTLIER -67.47 -42.15 86.82 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.327 179.214 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -52.94 -29.72 30.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 0.0 110.362 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.33 -20.26 44.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.356 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 874' ' ' LEU . . . . . 0.608 HD12 HG22 ' A' ' 871' ' ' ILE . 95.1 mt -66.31 154.91 89.44 Favored Pre-proline 0 N--CA 1.466 0.368 0 CA-C-O 120.635 0.255 . . . . 0.0 111.029 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo . . . . . 0 N--CA 1.492 1.42 0 C-N-CA 122.413 2.076 . . . . 0.0 111.28 178.784 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 815' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 816' ' ' VAL . 2.4 m . . . . . 0 C--O 1.239 0.531 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 816' ' ' VAL . . . . . 0.46 HG22 ' H ' ' A' ' 816' ' ' VAL . 0.6 OUTLIER -60.04 164.34 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.346 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 76.25 -68.95 2.3 Favored Glycine 0 C--N 1.314 -0.68 0 N-CA-C 108.714 -1.754 . . . . 0.0 108.714 -175.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -52.45 -39.75 61.43 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 175.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 819' ' ' TRP . . . . . 0.51 ' CG ' HG11 ' A' ' 840' ' ' VAL . 24.9 t90 -59.69 -55.17 37.69 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.763 178.29 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 820' ' ' LEU . . . . . 0.411 HD23 HD11 ' A' ' 823' ' ' ILE . 83.1 mt -54.82 -44.56 73.96 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.943 178.279 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -62.42 -48.22 80.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.49 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 39.2 m -52.86 -51.04 62.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.362 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 823' ' ' ILE . . . . . 0.528 HG21 ' HB1' ' A' ' 870' ' ' ALA . 27.6 pt -74.09 -0.03 2.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.033 0.444 . . . . 0.0 110.549 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 64.88 38.58 95.71 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 825' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' A' ' 825' ' ' LEU . 54.1 mt -132.91 63.45 67.18 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.95 0.405 . . . . 0.0 110.559 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 826' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -69.09 169.23 18.54 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.652 2.235 . . . . 0.0 111.585 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 827' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 73.49 28.95 1.66 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.425 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 828' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -126.2 -4.39 6.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.452 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 829' ' ' GLU . . . . . 0.426 ' HG3' ' SD ' ' A' ' 833' ' ' MET . 1.2 tp10 -57.35 -61.11 2.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.788 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -45.62 -46.54 14.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.938 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 831' ' ' HIS . . . . . 0.41 ' HB3' ' HB ' ' A' ' 856' ' ' ILE . 23.5 m80 -64.28 -49.26 72.52 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.218 178.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 832' ' ' LEU . . . . . 0.507 ' HG ' ' CG ' ' A' ' 837' ' ' PHE . 1.2 mp -54.35 -52.18 62.39 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 833' ' ' MET . . . . . 0.426 ' SD ' ' HG3' ' A' ' 829' ' ' GLU . 28.5 mtp -60.31 -52.85 63.51 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.045 178.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -49.42 -51.23 36.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.478 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -65.82 -28.44 68.99 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.274 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 103.09 34.85 3.84 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 837' ' ' PHE . . . . . 0.507 ' CG ' ' HG ' ' A' ' 832' ' ' LEU . 4.3 m-85 -68.74 99.82 1.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.065 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 838' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 839' ' ' ASN . 6.4 t70 -71.18 176.58 4.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.191 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 839' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 838' ' ' ASP . 47.2 t-20 -31.48 116.82 0.18 Allowed 'General case' 0 C--O 1.237 0.432 0 CA-C-O 120.845 0.355 . . . . 0.0 110.526 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 840' ' ' VAL . . . . . 0.51 HG11 ' CG ' ' A' ' 819' ' ' TRP . 34.9 m -45.91 -39.84 3.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.883 -179.066 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 841' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -60.11 -47.61 85.17 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 842' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 846' ' ' ASN . 11.4 t80 -60.9 -51.71 68.14 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 176.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 843' ' ' MET . . . . . 0.452 ' HE1' ' CE2' ' A' ' 837' ' ' PHE . 29.8 mmm -49.75 -55.96 12.04 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.135 178.473 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 844' ' ' GLY . . . . . 0.431 ' HA2' ' HB ' ' A' ' 871' ' ' ILE . . . -56.4 -28.2 54.91 Favored Glycine 0 CA--C 1.51 -0.235 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.3 m -102.35 13.62 34.12 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.715 0.293 . . . . 0.0 110.58 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 846' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 842' ' ' PHE . 9.8 t-20 -126.23 -54.37 1.48 Allowed 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.996 -177.35 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 13.4 p -152.72 140.76 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.314 -0.554 . . . . 0.0 112.053 -178.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 848' ' ' MET . . . . . . . . . . . . . 3.9 ptm -140.31 103.48 4.59 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.553 176.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 849' ' ' GLU . . . . . 0.422 ' O ' ' HG ' ' A' ' 853' ' ' LEU . 0.1 OUTLIER -150.71 166.72 29.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.759 -178.449 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 850' ' ' ASP . . . . . 0.433 ' OD1' ' NH2' ' A' ' 864' ' ' ARG . 0.0 OUTLIER -71.77 -46.17 59.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.235 178.851 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -48.68 -47.99 40.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.481 -177.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.65 -49.95 73.5 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.222 0.534 . . . . 0.0 110.107 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.483 ' HB2' ' HD3' ' A' ' 864' ' ' ARG . 11.2 mt -64.36 -50.93 65.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.666 178.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.31 -39.2 66.76 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.31 -48.27 71.53 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.325 178.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 856' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 853' ' ' LEU . 8.7 pt -74.72 7.89 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.387 177.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 61.77 43.11 99.68 Favored Glycine 0 C--O 1.234 0.13 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.026 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 858' ' ' ILE . . . . . 0.606 HG21 ' N ' ' A' ' 864' ' ' ARG . 7.9 mm -50.91 122.71 2.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 42.3 mt -39.65 -73.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -176.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 860' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -123.34 177.18 5.72 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.32 0.581 . . . . 0.0 112.194 -177.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 3.3 m -61.61 -39.21 90.44 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.655 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -53.24 -51.39 47.25 Favored Glycine 0 N--CA 1.454 -0.137 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 863' ' ' HIS . . . . . 0.531 ' HB3' HG23 ' A' ' 858' ' ' ILE . 22.2 m170 -58.69 -50.74 72.75 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 176.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 864' ' ' ARG . . . . . 0.606 ' N ' HG21 ' A' ' 858' ' ' ILE . 0.0 OUTLIER -52.51 -54.91 26.29 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.448 178.262 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 865' ' ' GLN . . . . . 0.432 ' NE2' ' OE1' ' A' ' 869' ' ' GLN . 7.8 tm0? -55.62 -50.29 70.54 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.466 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 866' ' ' ARG . . . . . 0.442 ' NH2' ' OE1' ' A' ' 869' ' ' GLN . 0.0 OUTLIER -58.84 -52.61 65.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.64 -179.651 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.436 HG21 HD22 ' A' ' 853' ' ' LEU . 3.7 mm -57.13 -47.18 84.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 7.4 tp -59.14 -49.59 77.3 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.212 0.53 . . . . 0.0 109.916 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 869' ' ' GLN . . . . . 0.442 ' OE1' ' NH2' ' A' ' 866' ' ' ARG . 6.1 mt-30 -61.4 -40.19 93.5 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.969 178.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 870' ' ' ALA . . . . . 0.528 ' HB1' HG21 ' A' ' 823' ' ' ILE . . . -59.0 -49.56 77.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.774 -178.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.679 ' HA ' HD12 ' A' ' 874' ' ' LEU . 46.6 pt -67.2 -37.65 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 120.059 -0.656 . . . . 0.0 109.885 178.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 872' ' ' GLN . . . . . 0.423 ' N ' HG13 ' A' ' 871' ' ' ILE . 34.2 mt-30 -62.37 -39.63 93.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.18 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -67.34 -30.98 70.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.094 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 874' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 871' ' ' ILE . 76.2 mt -55.78 111.98 3.76 Favored Pre-proline 0 N--CA 1.465 0.293 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.56 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo . . . . . 0 N--CA 1.494 1.513 0 C-N-CA 122.254 1.969 . . . . 0.0 111.15 179.176 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 815' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 817' ' ' GLY . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.705 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 816' ' ' VAL . . . . . 0.568 HG21 ' HG3' ' A' ' 833' ' ' MET . 5.4 m -63.21 71.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-O 121.442 0.639 . . . . 0.0 110.294 -178.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 817' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 815' ' ' THR . . . -158.5 -74.59 0.02 OUTLIER Glycine 0 C--N 1.308 -0.984 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -45.98 64.39 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 175.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 819' ' ' TRP . . . . . 0.575 ' CE2' ' HB1' ' A' ' 870' ' ' ALA . 11.3 t90 -52.99 -62.47 1.63 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.578 176.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 820' ' ' LEU . . . . . 0.449 ' HB3' ' O ' ' A' ' 825' ' ' LEU . 64.5 mt -54.52 -47.61 72.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.986 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -56.99 -46.98 81.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.335 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 8.2 m -52.78 -51.45 60.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.508 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 823' ' ' ILE . . . . . 1.063 HG21 ' HB2' ' A' ' 870' ' ' ALA . 9.2 pt -75.42 -11.32 14.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.926 0.393 . . . . 0.0 111.025 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 81.79 33.57 26.97 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 825' ' ' LEU . . . . . 0.537 HD12 HD12 ' A' ' 823' ' ' ILE . 61.5 mt -123.82 51.2 3.99 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 120.842 0.353 . . . . 0.0 110.577 178.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 826' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 825' ' ' LEU . 25.0 Cg_endo -62.94 169.15 9.37 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.719 2.28 . . . . 0.0 112.116 -179.036 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 827' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 63.94 20.86 12.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.934 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 828' ' ' TYR . . . . . 0.435 ' HB2' HD13 ' A' ' 820' ' ' LEU . 3.2 m-85 -104.51 -2.67 24.93 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 829' ' ' GLU . . . . . 0.441 ' HB3' HG23 ' A' ' 816' ' ' VAL . 0.5 OUTLIER -55.53 -76.2 0.03 OUTLIER 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.26 -178.83 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -46.68 -37.09 7.82 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.582 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 831' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -63.01 -58.07 8.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.485 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 1.7 mp -61.45 -51.52 68.34 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.036 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 833' ' ' MET . . . . . 0.568 ' HG3' HG21 ' A' ' 816' ' ' VAL . 14.1 mtm -54.7 -46.88 74.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.587 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -55.99 -36.12 67.54 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 120.996 0.427 . . . . 0.0 109.941 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.479 ' HB3' ' CD2' ' A' ' 837' ' ' PHE . 2.0 t30 -81.13 5.77 15.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.733 178.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 836' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 838' ' ' ASP . . . 80.42 -1.08 83.21 Favored Glycine 0 CA--C 1.518 0.257 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 837' ' ' PHE . . . . . 0.479 ' CD2' ' HB3' ' A' ' 835' ' ' ASN . 20.2 m-85 -71.19 54.65 0.19 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.081 0.467 . . . . 0.0 110.481 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 838' ' ' ASP . . . . . 0.416 ' CG ' ' N ' ' A' ' 839' ' ' ASN . 1.6 t70 -83.27 161.66 21.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.113 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 839' ' ' ASN . . . . . 0.416 ' N ' ' CG ' ' A' ' 838' ' ' ASP . 16.2 t-20 53.35 82.37 0.08 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.096 0.474 . . . . 0.0 110.603 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 840' ' ' VAL . . . . . 0.532 HG23 ' N ' ' A' ' 841' ' ' GLN . 34.8 m -45.21 -49.44 3.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.925 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 841' ' ' GLN . . . . . 0.6 ' HA ' HD13 ' A' ' 874' ' ' LEU . 5.5 mp0 -51.96 -58.06 7.6 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.314 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 842' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 846' ' ' ASN . 0.2 OUTLIER -59.87 -48.08 83.13 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.894 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 843' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -51.67 -56.08 15.77 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.549 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 844' ' ' GLY . . . . . . . . . . . . . . . -57.9 -42.83 94.93 Favored Glycine 0 CA--C 1.507 -0.429 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.1 m -84.29 13.22 5.53 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 120.825 0.345 . . . . 0.0 110.446 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 846' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 842' ' ' PHE . 4.7 t-20 -112.32 -53.73 2.68 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.858 -178.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 10.7 p -152.59 142.79 15.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.964 0.412 . . . . 0.0 111.115 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 848' ' ' MET . . . . . 0.568 ' HG2' HD12 ' A' ' 871' ' ' ILE . 3.0 mtt -135.24 102.29 5.12 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 849' ' ' GLU . . . . . 0.462 ' HB3' ' CG ' ' A' ' 851' ' ' GLN . 36.0 mm-40 -157.1 136.71 12.26 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 850' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -45.0 -26.6 0.45 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.849 0.357 . . . . 0.0 111.292 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 851' ' ' GLN . . . . . 0.462 ' CG ' ' HB3' ' A' ' 849' ' ' GLU . 0.2 OUTLIER -56.24 -26.1 50.09 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.505 179.277 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 852' ' ' ASP . . . . . 0.57 ' OD1' ' N ' ' A' ' 853' ' ' LEU . 9.4 p30 -56.03 -62.82 1.44 Allowed 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.221 0.534 . . . . 0.0 110.91 -178.062 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.853 HD12 ' HD2' ' A' ' 864' ' ' ARG . 9.4 mt -67.33 -25.85 66.21 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.82 178.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 854' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 854' ' ' LEU . 11.9 tp -65.43 -39.34 91.99 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 855' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 852' ' ' ASP . 8.4 mm-40 -57.4 -53.68 55.43 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.093 178.348 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 856' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -9.34 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.94 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 78.19 39.13 24.04 Favored Glycine 0 CA--C 1.522 0.527 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.208 177.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 858' ' ' ILE . . . . . 0.412 ' HB ' ' HB3' ' A' ' 853' ' ' LEU . 18.9 mm -81.38 120.74 33.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 43.9 mt -96.01 -11.61 26.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.461 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 860' ' ' ASN . . . . . 0.589 ' O ' ' CD2' ' A' ' 863' ' ' HIS . 15.1 t-20 -62.75 162.5 10.75 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 1.3 m -94.19 -52.87 4.18 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.179 0.514 . . . . 0.0 111.312 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -53.88 -43.75 71.1 Favored Glycine 0 CA--C 1.523 0.537 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.843 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 863' ' ' HIS . . . . . 0.687 ' CD2' ' H ' ' A' ' 864' ' ' ARG . 1.4 p80 -39.27 -46.88 1.6 Allowed 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.774 0.287 . . . . 0.0 111.276 -177.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 864' ' ' ARG . . . . . 0.853 ' HD2' HD12 ' A' ' 853' ' ' LEU . 0.1 OUTLIER -54.73 -55.69 27.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.962 0.411 . . . . 0.0 110.286 179.414 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 865' ' ' GLN . . . . . 0.627 ' HA ' HD23 ' A' ' 868' ' ' LEU . 11.1 mm100 -61.51 -50.07 74.18 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.259 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 866' ' ' ARG . . . . . 0.428 ' NE ' ' OE1' ' A' ' 869' ' ' GLN . 12.4 mmp_? -60.01 -51.98 67.33 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.022 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.753 HG13 HD21 ' A' ' 853' ' ' LEU . 7.4 mm -59.82 -46.81 93.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.813 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 868' ' ' LEU . . . . . 0.635 HD12 ' C ' ' A' ' 868' ' ' LEU . 0.3 OUTLIER -54.43 -45.25 72.98 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.094 -0.643 . . . . 0.0 109.449 178.643 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 869' ' ' GLN . . . . . 0.569 ' N ' ' HG ' ' A' ' 868' ' ' LEU . 27.8 mt-30 -64.54 -39.84 94.49 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.286 176.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 870' ' ' ALA . . . . . 1.063 ' HB2' HG21 ' A' ' 823' ' ' ILE . . . -58.9 -49.21 78.66 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.629 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.568 HD12 ' HG2' ' A' ' 848' ' ' MET . 18.0 pt -68.07 -45.14 83.95 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.915 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -53.92 -29.03 40.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.398 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.44 -16.75 60.86 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.38 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 874' ' ' LEU . . . . . 0.6 HD13 ' HA ' ' A' ' 841' ' ' GLN . 32.9 mt -76.86 -54.03 1.71 Allowed Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -177.046 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 875' ' ' PRO . . . . . 0.581 ' HD3' ' HB2' ' A' ' 874' ' ' LEU . 32.9 Cg_exo . . . . . 0 N--CA 1.495 1.583 0 C-N-CA 121.721 1.614 . . . . 0.0 111.316 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.445 -0.714 0 CA-C-O 120.766 0.317 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 816' ' ' VAL . . . . . 0.527 HG11 ' HB3' ' A' ' 832' ' ' LEU . 6.4 m -63.65 173.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.339 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 817' ' ' GLY . . . . . 1.002 ' H ' HD12 ' A' ' 820' ' ' LEU . . . 79.24 -75.85 2.02 Favored Glycine 0 C--O 1.224 -0.486 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 -177.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.69 -51.02 62.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.303 0.573 . . . . 0.0 109.677 177.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 819' ' ' TRP . . . . . 0.957 ' CE3' HG11 ' A' ' 840' ' ' VAL . 67.4 t90 -58.53 -53.49 57.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.6 178.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 820' ' ' LEU . . . . . 1.002 HD12 ' H ' ' A' ' 817' ' ' GLY . 13.5 mt -54.46 -51.31 65.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.515 178.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -56.8 -48.38 78.09 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.829 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 22.3 m -52.85 -48.72 66.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.885 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 823' ' ' ILE . . . . . 0.819 HG21 ' HB1' ' A' ' 870' ' ' ALA . 44.3 pt -73.84 -1.52 2.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.943 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 91.44 28.47 14.55 Favored Glycine 0 CA--C 1.519 0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.134 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 825' ' ' LEU . . . . . 0.531 HD12 HD11 ' A' ' 823' ' ' ILE . 99.2 mt -123.19 71.17 44.16 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.964 0.382 . . . . 0.0 111.338 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 826' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 827' ' ' GLN . 54.4 Cg_endo -73.19 147.36 42.35 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.167 1.911 . . . . 0.0 110.882 178.171 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 827' ' ' GLN . . . . . 0.435 ' CB ' ' O ' ' A' ' 826' ' ' PRO . 1.5 tt0 83.31 17.28 0.27 Allowed 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.035 0.445 . . . . 0.0 110.706 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 828' ' ' TYR . . . . . 0.756 ' CB ' HD13 ' A' ' 820' ' ' LEU . 9.3 m-85 -104.51 -4.89 22.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.029 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 829' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' A' ' 829' ' ' GLU . 1.8 pm0 -63.88 -73.91 0.11 Allowed 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.303 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -45.0 -34.36 2.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.959 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 831' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -64.15 -57.67 8.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.809 178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 832' ' ' LEU . . . . . 0.527 ' HB3' HG11 ' A' ' 816' ' ' VAL . 5.8 mp -68.81 -35.99 77.68 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.166 178.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 39.7 mtm -60.28 -56.71 18.25 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.149 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -55.99 -44.79 78.91 Favored 'General case' 0 CA--C 1.511 -0.558 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 177.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -64.78 -9.24 18.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.241 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 61.75 35.37 91.15 Favored Glycine 0 C--O 1.235 0.196 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 837' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -107.63 50.22 0.78 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.134 0.492 . . . . 0.0 110.696 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 838' ' ' ASP . . . . . 0.467 ' HA ' HG13 ' A' ' 816' ' ' VAL . 3.7 t0 -77.59 176.21 9.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.026 178.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 839' ' ' ASN . . . . . 0.406 ' N ' ' OD1' ' A' ' 838' ' ' ASP . 7.0 t30 54.24 65.71 1.43 Allowed 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.352 0.596 . . . . 0.0 109.655 -179.131 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 840' ' ' VAL . . . . . 0.957 HG11 ' CE3' ' A' ' 819' ' ' TRP . 16.5 m -44.93 -28.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.361 -176.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 841' ' ' GLN . . . . . 0.653 ' CD ' ' H ' ' A' ' 841' ' ' GLN . 0.0 OUTLIER -52.23 -41.43 62.76 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.805 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 842' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' A' ' 846' ' ' ASN . 16.3 m-30 -62.27 -49.3 76.21 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.481 177.341 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 843' ' ' MET . . . . . . . . . . . . . 82.5 mtp -49.21 -56.6 8.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.218 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 844' ' ' GLY . . . . . 0.437 ' CA ' ' HB ' ' A' ' 871' ' ' ILE . . . -56.47 -33.94 62.95 Favored Glycine 0 N--CA 1.458 0.153 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.5 m -89.32 -9.98 48.47 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.517 0.198 . . . . 0.0 111.353 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 846' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 842' ' ' PHE . 7.6 t30 -105.65 -54.71 2.44 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -177.333 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 3.5 p -152.88 138.37 11.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 C-N-CA 120.541 -0.464 . . . . 0.0 111.391 -177.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 848' ' ' MET . . . . . 0.429 ' HB3' HD11 ' A' ' 871' ' ' ILE . 9.3 ptp -140.06 100.94 4.04 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.843 176.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -179.0 -161.69 0.04 OUTLIER 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.944 0.402 . . . . 0.0 111.239 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 850' ' ' ASP . . . . . 0.522 ' HA ' ' CD ' ' A' ' 864' ' ' ARG . 3.2 m-20 -72.81 -50.86 21.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.165 -178.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -47.36 -37.81 11.84 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.685 -176.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.95 -61.95 2.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.126 0.488 . . . . 0.0 110.526 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.827 HD12 ' HD2' ' A' ' 864' ' ' ARG . 21.1 mt -64.03 -38.27 90.45 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.816 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.71 -47.08 74.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.386 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -53.05 -52.91 57.0 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.968 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 856' ' ' ILE . . . . . 0.415 HG13 ' HA ' ' A' ' 853' ' ' LEU . 0.2 OUTLIER -63.21 -15.55 16.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.194 178.651 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 80.91 31.47 35.39 Favored Glycine 0 C--O 1.237 0.296 0 N-CA-C 111.816 -0.514 . . . . 0.0 111.816 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 858' ' ' ILE . . . . . . . . . . . . . 23.4 mm -75.67 104.87 4.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.143 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 35.7 mt -79.43 -11.16 59.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.016 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 860' ' ' ASN . . . . . 0.507 ' O ' ' CD2' ' A' ' 863' ' ' HIS . 32.3 m120 -51.88 160.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.283 -178.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.13 -52.7 4.44 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.048 0.451 . . . . 0.0 111.71 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 862' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 863' ' ' HIS . . . -76.87 -32.49 49.57 Favored Glycine 0 N--CA 1.467 0.744 0 CA-C-N 116.168 -0.469 . . . . 0.0 113.058 -175.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 863' ' ' HIS . . . . . 0.53 ' CD2' ' H ' ' A' ' 864' ' ' ARG . 1.8 p80 -34.18 -46.76 0.26 Allowed 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 117.045 0.422 . . . . 0.0 111.605 -177.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 864' ' ' ARG . . . . . 0.827 ' HD2' HD12 ' A' ' 853' ' ' LEU . 4.7 mmm180 -51.75 -56.71 12.2 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 120.92 0.39 . . . . 0.0 110.532 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -60.71 -49.46 77.42 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.468 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 866' ' ' ARG . . . . . 0.506 ' HB2' HD11 ' A' ' 825' ' ' LEU . 1.4 mmp_? -58.39 -46.59 86.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.586 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.67 HG13 HD21 ' A' ' 853' ' ' LEU . 8.9 mm -65.14 -48.81 82.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.812 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 868' ' ' LEU . . . . . 0.555 HD23 HH12 ' A' ' 864' ' ' ARG . 0.2 OUTLIER -53.75 -55.57 25.13 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.833 0.349 . . . . 0.0 111.144 -177.864 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 869' ' ' GLN . . . . . 0.445 ' OE1' ' NH2' ' A' ' 866' ' ' ARG . 1.4 pt20 -61.39 -43.28 99.15 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.143 0.497 . . . . 0.0 109.977 179.136 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 870' ' ' ALA . . . . . 0.819 ' HB1' HG21 ' A' ' 823' ' ' ILE . . . -59.92 -49.79 76.32 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.601 -178.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.437 ' HB ' ' CA ' ' A' ' 844' ' ' GLY . 18.8 pt -67.64 -42.63 86.73 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 C-N-CA 119.887 -0.725 . . . . 0.0 110.702 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -56.19 -30.55 62.42 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -73.73 -4.19 33.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.951 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 874' ' ' LEU . . . . . 0.481 HD13 HG23 ' A' ' 840' ' ' VAL . 58.1 mt -90.74 130.21 41.78 Favored Pre-proline 0 C--N 1.326 -0.437 0 C-N-CA 121.034 -0.267 . . . . 0.0 110.306 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo . . . . . 0 N--CA 1.494 1.539 0 C-N-CA 122.37 2.047 . . . . 0.0 111.338 178.835 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.458 0.171 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 816' ' ' VAL . . . . . 0.57 HG12 ' CG1' ' A' ' 840' ' ' VAL . 17.5 m -62.14 -118.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.924 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 817' ' ' GLY . . . . . 0.483 ' H ' HG23 ' A' ' 816' ' ' VAL . . . 50.87 -85.55 0.01 OUTLIER Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 818' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 816' ' ' VAL . 19.4 mp0 -52.39 -39.53 60.96 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.857 0.36 . . . . 0.0 110.271 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 819' ' ' TRP . . . . . 0.567 ' CD2' HG11 ' A' ' 840' ' ' VAL . 44.5 t90 -57.94 -50.58 72.9 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.337 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 820' ' ' LEU . . . . . 0.716 HD13 ' HB3' ' A' ' 828' ' ' TYR . 13.8 mt -58.25 -43.16 87.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.605 177.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -62.1 -42.44 99.23 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.596 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 6.1 m -57.28 -46.0 83.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.219 178.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 823' ' ' ILE . . . . . 0.465 ' O ' ' NH2' ' A' ' 866' ' ' ARG . 28.6 pt -82.88 12.77 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.099 0.476 . . . . 0.0 110.113 177.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 824' ' ' GLY . . . . . 0.443 ' C ' ' HD3' ' A' ' 826' ' ' PRO . . . 54.55 47.21 71.07 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 825' ' ' LEU . . . . . 0.604 HD11 ' HB2' ' A' ' 866' ' ' ARG . 13.3 mt -123.34 66.14 32.65 Favored Pre-proline 0 C--N 1.33 -0.27 0 O-C-N 122.673 -0.31 . . . . 0.0 111.573 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 826' ' ' PRO . . . . . 0.443 ' HD3' ' C ' ' A' ' 824' ' ' GLY . 35.6 Cg_exo -56.32 168.59 1.97 Allowed 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.369 2.046 . . . . 0.0 111.319 176.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 827' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 65.08 20.24 11.99 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.592 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 828' ' ' TYR . . . . . 0.716 ' HB3' HD13 ' A' ' 820' ' ' LEU . 0.6 OUTLIER -112.77 -5.33 13.91 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 178.08 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 829' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -71.11 -77.43 0.09 Allowed 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.256 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -46.29 -35.47 5.33 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 831' ' ' HIS . . . . . 0.526 ' HB3' HD12 ' A' ' 856' ' ' ILE . 2.6 m80 -57.68 -57.55 12.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.089 178.254 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 832' ' ' LEU . . . . . 0.542 ' CD2' HG11 ' A' ' 816' ' ' VAL . 3.2 mp -69.63 -41.71 75.27 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.162 179.335 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 5.6 tpp -58.25 -55.44 34.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.964 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -57.32 -39.62 76.21 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -73.2 2.08 8.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.097 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 55.16 35.4 59.87 Favored Glycine 0 N--CA 1.452 -0.259 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 837' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.59 102.94 12.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.775 0.322 . . . . 0.0 111.079 -179.14 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 838' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' A' ' 839' ' ' ASN . 9.4 p-10 -139.02 113.58 9.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.934 177.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 839' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 838' ' ' ASP . 37.2 p30 141.47 59.82 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.148 0.979 . . . . 0.0 109.799 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 840' ' ' VAL . . . . . 0.57 ' CG1' HG12 ' A' ' 816' ' ' VAL . 34.5 m -45.72 -45.91 4.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.252 -178.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 841' ' ' GLN . . . . . 0.443 ' N ' HG23 ' A' ' 840' ' ' VAL . 11.1 tm0? -52.8 -53.0 54.66 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 842' ' ' PHE . . . . . 0.485 ' O ' ' N ' ' A' ' 846' ' ' ASN . 93.2 t80 -61.65 -48.51 80.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.259 177.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 843' ' ' MET . . . . . 0.421 ' SD ' HG21 ' A' ' 871' ' ' ILE . 13.3 ttt -45.52 -55.86 5.75 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.036 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 844' ' ' GLY . . . . . 0.465 ' CA ' ' HB ' ' A' ' 871' ' ' ILE . . . -68.68 -31.22 73.08 Favored Glycine 0 C--N 1.32 -0.329 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 845' ' ' SER . . . . . 0.423 ' OG ' ' NE2' ' A' ' 841' ' ' GLN . 26.6 m -92.03 8.9 35.59 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 846' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 842' ' ' PHE . 19.2 t-20 -129.31 -56.55 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.75 -0.78 . . . . 0.0 112.67 -177.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 11.3 p -154.96 148.27 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.081 -0.647 . . . . 0.0 112.32 -178.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 848' ' ' MET . . . . . 0.444 ' SD ' ' NE2' ' A' ' 872' ' ' GLN . 0.0 OUTLIER -125.98 101.75 6.95 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 173.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -121.44 120.5 35.13 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.054 0.455 . . . . 0.0 112.072 -175.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 850' ' ' ASP . . . . . 0.799 ' HA ' HD12 ' A' ' 853' ' ' LEU . 10.4 t70 -63.65 -35.16 79.63 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 175.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 851' ' ' GLN . . . . . 0.404 ' HG3' ' H ' ' A' ' 851' ' ' GLN . 8.8 mt-30 -53.05 -49.79 65.61 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.799 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -43.68 79.02 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 120.914 0.388 . . . . 0.0 110.016 -179.277 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.799 HD12 ' HA ' ' A' ' 850' ' ' ASP . 11.6 mt -59.83 -38.36 81.81 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 2.2 mp -72.19 -44.38 63.1 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.585 177.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 855' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 851' ' ' GLN . 1.6 mm-40 -50.74 -52.8 37.02 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.213 178.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 856' ' ' ILE . . . . . 0.526 HD12 ' HB3' ' A' ' 831' ' ' HIS . 6.4 pt -69.16 -18.62 22.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 121.087 0.47 . . . . 0.0 109.919 177.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 96.45 40.84 3.82 Favored Glycine 0 CA--C 1.53 1.023 0 CA-C-N 115.904 -0.589 . . . . 0.0 113.533 175.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 858' ' ' ILE . . . . . 0.541 HG21 ' OH ' ' A' ' 828' ' ' TYR . 44.3 mm -79.35 115.89 22.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 175.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.71 -75.71 0.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -177.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 860' ' ' ASN . . . . . 0.529 HD21 ' CE1' ' A' ' 863' ' ' HIS . 2.0 p-10 -55.0 105.03 0.14 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.857 0.36 . . . . 0.0 110.998 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 861' ' ' SER . . . . . 0.632 ' HA ' ' HE ' ' A' ' 864' ' ' ARG . 43.0 m -45.99 -26.63 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.055 -178.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -53.22 -37.68 55.22 Favored Glycine 0 C--O 1.226 -0.375 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 177.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 863' ' ' HIS . . . . . 0.529 ' CE1' HD21 ' A' ' 860' ' ' ASN . 0.3 OUTLIER -68.66 -36.9 79.17 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 176.913 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 864' ' ' ARG . . . . . 0.632 ' HE ' ' HA ' ' A' ' 861' ' ' SER . 74.4 mtm180 -68.9 -53.54 20.54 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 177.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -57.26 -50.25 73.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.003 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 866' ' ' ARG . . . . . 0.604 ' HB2' HD11 ' A' ' 825' ' ' LEU . 68.8 mtp85 -58.03 -48.92 78.62 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.429 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.657 HG13 ' CZ ' ' A' ' 828' ' ' TYR . 10.5 mm -57.9 -52.69 54.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.495 -0.482 . . . . 0.0 109.957 178.427 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.03 -54.08 44.2 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 869' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -58.93 -44.58 91.37 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.483 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 870' ' ' ALA . . . . . 0.404 ' O ' ' HG ' ' A' ' 874' ' ' LEU . . . -58.84 -49.28 78.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.705 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.632 ' HA ' HD12 ' A' ' 874' ' ' LEU . 48.0 pt -67.59 -42.58 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 120.021 -0.672 . . . . 0.0 110.418 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 872' ' ' GLN . . . . . 0.449 ' N ' HG13 ' A' ' 871' ' ' ILE . 69.4 mt-30 -55.88 -38.45 70.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.361 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -78.25 -17.78 56.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.86 -178.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 874' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 871' ' ' ILE . 58.2 mt -55.98 147.9 41.77 Favored Pre-proline 0 N--CA 1.469 0.479 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.069 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo . . . . . 0 C--N 1.312 -1.392 0 C-N-CA 122.533 2.156 . . . . 0.0 111.616 -179.746 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.448 -0.562 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 816' ' ' VAL . . . . . 0.614 HG22 ' CG ' ' A' ' 838' ' ' ASP . 3.1 m -59.58 101.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.434 0.635 . . . . 0.0 110.814 -176.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . -173.57 -91.73 0.08 OUTLIER Glycine 0 CA--C 1.52 0.37 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 -51.31 -29.03 13.68 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 120.987 0.423 . . . . 0.0 110.005 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 819' ' ' TRP . . . . . 0.622 ' CE2' HD11 ' A' ' 874' ' ' LEU . 12.4 t90 -57.98 -54.57 45.42 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.683 178.074 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 820' ' ' LEU . . . . . 0.448 HD21 ' HB2' ' A' ' 828' ' ' TYR . 5.8 mt -55.03 -38.54 68.09 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.823 177.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -67.33 -46.0 74.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.349 176.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 9.1 m -53.01 -51.24 62.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.053 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 823' ' ' ILE . . . . . 0.693 HD12 HD12 ' A' ' 825' ' ' LEU . 6.2 pt -76.4 -12.5 14.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.092 178.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 66.05 46.27 81.92 Favored Glycine 0 N--CA 1.453 -0.227 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 825' ' ' LEU . . . . . 0.693 HD12 HD12 ' A' ' 823' ' ' ILE . 28.6 mt -129.69 58.27 36.58 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 120.641 0.258 . . . . 0.0 111.175 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 826' ' ' PRO . . . . . 0.496 ' O ' ' HB3' ' A' ' 827' ' ' GLN . 35.6 Cg_endo -67.46 122.57 9.81 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.044 1.83 . . . . 0.0 111.045 179.039 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 827' ' ' GLN . . . . . 0.496 ' HB3' ' O ' ' A' ' 826' ' ' PRO . 0.7 OUTLIER 152.24 -16.97 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.497 0.719 . . . . 0.0 110.418 179.466 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 828' ' ' TYR . . . . . 0.456 ' CZ ' ' HG3' ' A' ' 827' ' ' GLN . 38.8 m-85 -105.54 -2.62 23.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.635 -177.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 829' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -45.48 -72.49 0.06 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.032 0.444 . . . . 0.0 110.576 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -36.36 71.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.978 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 831' ' ' HIS . . . . . 0.57 ' NE2' ' O ' ' A' ' 856' ' ' ILE . 2.8 t-160 -53.73 -57.46 10.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.329 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 6.3 mp -62.37 -49.48 75.4 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.75 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 18.8 tpp -54.02 -55.96 22.41 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.548 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -50.06 -40.34 44.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.37 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.514 ' ND2' ' CE1' ' A' ' 837' ' ' PHE . 27.2 t30 -85.39 5.65 29.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.921 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 64.57 17.02 61.78 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 837' ' ' PHE . . . . . 0.514 ' CE1' ' ND2' ' A' ' 835' ' ' ASN . 3.4 m-30 -80.93 58.1 3.29 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.833 0.349 . . . . 0.0 110.436 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 838' ' ' ASP . . . . . 0.614 ' CG ' HG22 ' A' ' 816' ' ' VAL . 6.7 t0 -96.52 175.83 6.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.576 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 839' ' ' ASN . . . . . 0.473 ' ND2' ' CG ' ' A' ' 842' ' ' PHE . 37.3 t30 61.53 62.89 1.25 Allowed 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.551 0.691 . . . . 0.0 109.271 -178.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 840' ' ' VAL . . . . . 0.547 HG11 ' CE3' ' A' ' 819' ' ' TRP . 27.2 m -44.94 -43.74 2.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.951 -176.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 841' ' ' GLN . . . . . 0.421 ' H ' ' CD ' ' A' ' 841' ' ' GLN . 0.2 OUTLIER -52.17 -40.21 61.13 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.755 179.314 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 842' ' ' PHE . . . . . 0.473 ' CG ' ' ND2' ' A' ' 839' ' ' ASN . 3.2 m-30 -67.73 -46.43 72.18 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.189 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 843' ' ' MET . . . . . . . . . . . . . 90.3 mtp -48.41 -55.73 10.05 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 844' ' ' GLY . . . . . 0.411 ' HA2' ' HB ' ' A' ' 871' ' ' ILE . . . -59.81 -38.42 93.95 Favored Glycine 0 C--O 1.234 0.152 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 178.049 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.8 t -78.69 2.23 20.27 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 846' ' ' ASN . . . . . 0.842 ' ND2' HG22 ' A' ' 847' ' ' VAL . 0.0 OUTLIER -100.2 -55.6 2.58 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 847' ' ' VAL . . . . . 0.842 HG22 ' ND2' ' A' ' 846' ' ' ASN . 31.1 m -153.79 150.91 11.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 848' ' ' MET . . . . . . . . . . . . . 33.6 mtm -123.96 100.87 6.95 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 173.28 -178.59 0.08 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.418 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 850' ' ' ASP . . . . . 0.661 ' HA ' HD12 ' A' ' 853' ' ' LEU . 3.8 p-10 -71.08 -25.22 62.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.641 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 851' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 855' ' ' GLU . 19.6 mt-30 -48.17 -51.71 23.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.185 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 852' ' ' ASP . . . . . 0.431 ' HB2' HG23 ' A' ' 847' ' ' VAL . 3.5 t70 -57.81 -52.57 64.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.404 0.621 . . . . 0.0 109.651 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.854 HD13 ' CG ' ' A' ' 864' ' ' ARG . 6.7 mt -57.86 -33.59 68.83 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.617 177.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 854' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 850' ' ' ASP . 1.0 OUTLIER -70.55 -40.08 73.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.544 177.673 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 855' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 851' ' ' GLN . 24.5 mm-40 -53.4 -53.67 47.86 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.48 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 856' ' ' ILE . . . . . 0.57 ' O ' ' NE2' ' A' ' 831' ' ' HIS . 0.0 OUTLIER -64.39 -34.09 67.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 176.663 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 95.7 43.33 3.4 Favored Glycine 0 C--O 1.228 -0.262 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.479 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 858' ' ' ILE . . . . . 0.464 ' O ' ' NH1' ' A' ' 864' ' ' ARG . 12.7 mm -60.18 144.97 12.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 19.8 mt -96.16 -73.26 0.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.91 0.386 . . . . 0.0 111.187 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 860' ' ' ASN . . . . . 0.464 ' OD1' ' ND1' ' A' ' 863' ' ' HIS . 29.3 t-20 -62.99 121.12 12.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.281 -178.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 861' ' ' SER . . . . . 0.428 ' OG ' ' NH2' ' A' ' 864' ' ' ARG . 32.5 m -69.55 -31.96 70.48 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.042 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -55.8 -52.36 49.08 Favored Glycine 0 C--O 1.235 0.192 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 863' ' ' HIS . . . . . 0.464 ' ND1' ' OD1' ' A' ' 860' ' ' ASN . 25.3 m80 -63.22 -43.36 98.31 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 176.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 864' ' ' ARG . . . . . 0.854 ' CG ' HD13 ' A' ' 853' ' ' LEU . 5.4 ttp180 -51.42 -54.46 26.55 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.722 177.373 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -53.84 -43.27 69.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.272 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 866' ' ' ARG . . . . . 0.67 ' HB3' HD11 ' A' ' 825' ' ' LEU . 16.5 mmm180 -61.59 -46.31 90.41 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.586 HG12 HD13 ' A' ' 825' ' ' LEU . 1.4 mm -63.25 -43.68 98.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 49.4 tp -54.71 -54.93 35.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.603 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 869' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 870' ' ' ALA . 8.8 pt20 -60.55 -38.79 85.62 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.048 179.217 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 870' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 869' ' ' GLN . . . -59.73 -49.64 76.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.765 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.623 ' HA ' HD12 ' A' ' 874' ' ' LEU . 23.6 pt -65.34 -37.18 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.009 178.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 872' ' ' GLN . . . . . 0.452 ' N ' HG13 ' A' ' 871' ' ' ILE . 91.8 mt-30 -61.85 -37.99 86.57 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.019 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 3.4 mp -75.25 -36.43 61.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.98 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 874' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 871' ' ' ILE . 19.5 mt -48.41 142.85 7.91 Favored Pre-proline 0 N--CA 1.469 0.505 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.245 -178.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo . . . . . 0 N--CA 1.496 1.676 0 C-N-CA 122.514 2.142 . . . . 0.0 110.907 178.212 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.653 0.263 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 816' ' ' VAL . . . . . 0.444 ' H ' HG22 ' A' ' 816' ' ' VAL . 0.9 OUTLIER -63.47 106.38 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.768 -178.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . -164.65 -82.73 0.05 OUTLIER Glycine 0 CA--C 1.519 0.339 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -52.08 -35.38 47.53 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 120.856 0.36 . . . . 0.0 110.36 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 39.4 t90 -56.53 -50.51 71.63 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 820' ' ' LEU . . . . . 0.437 HD22 ' HB2' ' A' ' 828' ' ' TYR . 57.6 mt -56.2 -48.53 76.23 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.247 178.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -61.76 -45.19 94.96 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.902 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 16.3 m -57.95 -40.32 80.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.302 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 823' ' ' ILE . . . . . 0.675 HG21 ' HB1' ' A' ' 870' ' ' ALA . 46.0 pt -79.28 3.26 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.054 178.377 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 76.86 21.71 73.64 Favored Glycine 0 C--N 1.329 0.193 0 N-CA-C 111.581 -0.608 . . . . 0.0 111.581 178.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 825' ' ' LEU . . . . . 0.498 HD11 ' HB3' ' A' ' 866' ' ' ARG . 43.4 mt -118.98 74.29 13.04 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.786 0.293 . . . . 0.0 110.834 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 826' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -73.98 152.24 46.01 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.01 1.807 . . . . 0.0 111.306 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 827' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 72.01 50.5 0.23 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.394 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 828' ' ' TYR . . . . . 0.437 ' HB2' HD22 ' A' ' 820' ' ' LEU . 23.4 m-85 -133.51 -2.87 3.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.329 177.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 829' ' ' GLU . . . . . 0.421 ' HG2' ' H ' ' A' ' 830' ' ' ASN . 1.0 OUTLIER -53.24 -58.49 6.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.346 179.332 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 830' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 831' ' ' HIS . 34.9 p-10 -48.87 -51.05 31.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.857 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 831' ' ' HIS . . . . . 0.513 ' N ' ' OD1' ' A' ' 830' ' ' ASN . 45.4 m80 -51.26 -58.21 6.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.508 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 832' ' ' LEU . . . . . 0.461 HD23 ' CE ' ' A' ' 843' ' ' MET . 9.7 mp -63.45 -52.02 63.2 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.457 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 32.1 tpp -53.31 -51.0 63.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.378 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -57.44 -45.3 84.87 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.094 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.449 ' ND2' ' HB3' ' A' ' 855' ' ' GLU . 8.1 t-20 -74.28 4.97 4.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.588 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 69.08 14.59 68.55 Favored Glycine 0 CA--C 1.518 0.28 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 837' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.76 70.15 1.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.95 0.405 . . . . 0.0 110.088 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.27 158.37 15.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.973 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 839' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 63.38 83.67 0.16 Allowed 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.08 0.467 . . . . 0.0 110.117 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 840' ' ' VAL . . . . . 0.594 ' HA ' ' SD ' ' A' ' 843' ' ' MET . 27.4 m -47.64 -42.49 8.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.967 -179.098 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 841' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -55.08 -51.93 64.81 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 842' ' ' PHE . . . . . 0.595 ' O ' ' N ' ' A' ' 846' ' ' ASN . 1.7 m-85 -61.84 -54.63 39.52 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.56 178.313 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 843' ' ' MET . . . . . 0.594 ' SD ' ' HA ' ' A' ' 840' ' ' VAL . 8.0 mtp -46.63 -55.65 7.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.015 0.436 . . . . 0.0 110.243 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 844' ' ' GLY . . . . . 0.575 ' HA2' HG23 ' A' ' 871' ' ' ILE . . . -62.99 -19.69 61.56 Favored Glycine 0 CA--C 1.517 0.19 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 19.2 m -99.55 -22.54 15.42 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.86 -0.2 . . . . 0.0 111.49 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 846' ' ' ASN . . . . . 0.595 ' N ' ' O ' ' A' ' 842' ' ' PHE . 17.3 t30 -88.75 -57.12 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -176.017 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 12.3 p -155.16 131.85 2.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.701 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 848' ' ' MET . . . . . 0.635 ' SD ' ' N ' ' A' ' 848' ' ' MET . 0.0 OUTLIER -140.69 102.55 4.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.645 177.786 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -170.41 -171.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.255 0.55 . . . . 0.0 111.897 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 850' ' ' ASP . . . . . 0.521 ' CG ' HH22 ' A' ' 864' ' ' ARG . 0.1 OUTLIER -60.5 -49.06 79.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.706 -177.93 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -47.52 -47.43 27.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.38 -176.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.32 -55.86 29.52 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.329 0.585 . . . . 0.0 109.979 179.128 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.898 HD13 ' HB3' ' A' ' 864' ' ' ARG . 9.7 mt -56.89 -35.02 68.48 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.431 178.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 4.0 mp -64.69 -47.72 77.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.732 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 855' ' ' GLU . . . . . 0.449 ' HB3' ' ND2' ' A' ' 835' ' ' ASN . 23.0 mt-10 -47.75 -48.98 29.66 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.268 178.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 856' ' ' ILE . . . . . 0.491 HG21 ' HB3' ' A' ' 831' ' ' HIS . 0.0 OUTLIER -86.23 2.92 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.818 178.417 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 53.73 43.24 69.33 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 858' ' ' ILE . . . . . 0.42 ' HB ' ' HG2' ' A' ' 864' ' ' ARG . 13.2 mm -63.69 85.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.907 0.384 . . . . 0.0 110.425 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 859' ' ' LEU . . . . . 0.48 ' H ' HD12 ' A' ' 859' ' ' LEU . 1.5 mp -55.91 -40.24 72.79 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.165 -179.067 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 860' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.42 85.91 0.11 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.166 -178.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 861' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 864' ' ' ARG . 0.7 OUTLIER -46.74 -42.14 16.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.631 179.35 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -56.8 -52.01 53.45 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 863' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -57.72 -41.01 80.88 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 864' ' ' ARG . . . . . 0.898 ' HB3' HD13 ' A' ' 853' ' ' LEU . 0.8 OUTLIER -52.1 -56.39 14.76 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.397 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.99 -41.97 93.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.886 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 866' ' ' ARG . . . . . 0.498 ' HB3' HD11 ' A' ' 825' ' ' LEU . 9.5 tpt180 -58.06 -50.54 73.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.833 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.483 HG12 ' CD1' ' A' ' 825' ' ' LEU . 3.8 mm -59.29 -45.7 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 868' ' ' LEU . . . . . 0.566 HD11 HD11 ' A' ' 853' ' ' LEU . 33.7 mt -57.08 -55.44 34.73 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.783 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 869' ' ' GLN . . . . . 0.544 ' HG3' ' N ' ' A' ' 870' ' ' ALA . 3.9 pt20 -60.68 -42.24 96.7 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.271 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 870' ' ' ALA . . . . . 0.675 ' HB1' HG21 ' A' ' 823' ' ' ILE . . . -59.16 -48.81 80.26 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.079 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.575 HG23 ' HA2' ' A' ' 844' ' ' GLY . 0.1 OUTLIER -61.86 -47.09 94.86 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.819 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 872' ' ' GLN . . . . . 0.437 ' N ' HG22 ' A' ' 871' ' ' ILE . 5.5 mm-40 -59.58 -22.31 61.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.264 178.545 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.85 -4.5 59.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.074 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 874' ' ' LEU . . . . . 0.546 ' HB2' ' HD3' ' A' ' 875' ' ' PRO . 80.0 mt -75.55 -49.34 3.76 Favored Pre-proline 0 C--N 1.328 -0.347 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.395 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 875' ' ' PRO . . . . . 0.546 ' HD3' ' HB2' ' A' ' 874' ' ' LEU . 77.5 Cg_exo . . . . . 0 N--CA 1.494 1.528 0 C-N-CA 122.352 2.035 . . . . 0.0 111.758 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.701 0 CA-C-O 120.791 0.329 . . . . 0.0 110.478 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 816' ' ' VAL . . . . . 0.599 HG21 ' HG3' ' A' ' 833' ' ' MET . 12.8 m -63.07 84.58 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-O 121.399 0.618 . . . . 0.0 110.124 -179.267 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 177.56 -67.41 0.08 OUTLIER Glycine 0 C--N 1.312 -0.792 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -51.23 -46.04 62.15 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 176.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 819' ' ' TRP . . . . . 0.49 ' CE3' HG11 ' A' ' 840' ' ' VAL . 42.0 t90 -56.85 -53.97 51.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.57 178.199 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 820' ' ' LEU . . . . . . . . . . . . . 56.5 mt -53.57 -46.26 70.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.046 178.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.437 ' HG2' ' HB3' ' A' ' 826' ' ' PRO . 1.9 mt-10 -60.54 -49.68 76.55 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 7.1 m -52.5 -45.33 66.15 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.721 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 823' ' ' ILE . . . . . 0.498 ' O ' ' HD3' ' A' ' 866' ' ' ARG . 21.6 pt -83.29 6.79 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 120.957 0.408 . . . . 0.0 110.747 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 65.02 38.04 94.96 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.761 -0.535 . . . . 0.0 111.761 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 825' ' ' LEU . . . . . 0.597 ' N ' ' CD ' ' A' ' 826' ' ' PRO . 77.1 mt -131.2 41.0 0.66 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.62 0.21 . . . . 0.0 110.848 178.029 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 826' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 825' ' ' LEU . 48.1 Cg_endo -70.03 122.66 9.26 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 122.06 1.84 . . . . 0.0 111.097 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 827' ' ' GLN . . . . . 0.489 ' HB3' ' O ' ' A' ' 826' ' ' PRO . 1.8 pt20 151.58 -13.28 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.678 0.791 . . . . 0.0 109.706 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 828' ' ' TYR . . . . . 0.562 ' CE1' HD12 ' A' ' 858' ' ' ILE . 60.3 m-85 -103.69 -2.12 27.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.104 -177.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 829' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.93 -77.34 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.033 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -55.63 -38.05 69.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.886 178.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 831' ' ' HIS . . . . . 0.578 ' NE2' ' O ' ' A' ' 856' ' ' ILE . 1.6 t-160 -49.89 -52.71 30.83 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.151 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 2.2 mp -59.25 -52.17 66.82 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 833' ' ' MET . . . . . 0.599 ' HG3' HG21 ' A' ' 816' ' ' VAL . 7.5 mtp -52.22 -54.73 27.33 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.919 178.169 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -49.18 -51.34 33.26 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.335 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.432 ' CB ' HG23 ' A' ' 856' ' ' ILE . 4.5 t30 -70.13 -3.67 17.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.964 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 77.45 26.89 60.4 Favored Glycine 0 C--O 1.236 0.256 0 N-CA-C 110.529 -1.029 . . . . 0.0 110.529 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 837' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -98.14 83.3 3.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.814 0.34 . . . . 0.0 110.185 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 838' ' ' ASP . . . . . 0.47 ' CG ' ' N ' ' A' ' 839' ' ' ASN . 16.3 t70 -102.66 168.44 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.735 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 839' ' ' ASN . . . . . 0.47 ' N ' ' CG ' ' A' ' 838' ' ' ASP . 55.9 t-20 52.37 81.38 0.08 Allowed 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.333 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 840' ' ' VAL . . . . . 0.49 HG11 ' CE3' ' A' ' 819' ' ' TRP . 27.5 m -53.57 -42.28 49.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.672 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 841' ' ' GLN . . . . . 0.449 HE21 ' C ' ' A' ' 875' ' ' PRO . 0.6 OUTLIER -59.55 -48.42 81.74 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 178.681 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 842' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 846' ' ' ASN . 89.2 t80 -60.94 -48.19 82.95 Favored 'General case' 0 CA--C 1.505 -0.768 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.113 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 843' ' ' MET . . . . . . . . . . . . . 38.9 mtp -46.1 -56.32 5.79 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 844' ' ' GLY . . . . . 0.486 ' CA ' ' HB ' ' A' ' 871' ' ' ILE . . . -57.58 -35.66 74.27 Favored Glycine 0 C--O 1.226 -0.355 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 178.117 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.6 m -92.78 13.62 19.72 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.647 0.26 . . . . 0.0 110.794 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 846' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 842' ' ' PHE . 12.8 t-20 -129.67 -52.32 1.16 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.458 -177.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 6.1 p -152.27 130.29 2.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.912 0.387 . . . . 0.0 110.683 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 848' ' ' MET . . . . . 0.651 ' SD ' ' HG2' ' A' ' 872' ' ' GLN . 9.2 mtm -139.22 101.8 4.35 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 849' ' ' GLU . . . . . 0.569 ' HA ' HD21 ' A' ' 868' ' ' LEU . 2.5 pt-20 -172.49 157.39 3.96 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.236 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 850' ' ' ASP . . . . . 0.422 ' CG ' HH21 ' A' ' 864' ' ' ARG . 0.9 OUTLIER -46.29 -38.92 9.26 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.12 179.538 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -50.88 -31.02 16.14 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.99 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 852' ' ' ASP . . . . . 0.556 ' OD2' HD12 ' A' ' 853' ' ' LEU . 0.0 OUTLIER -70.6 -61.72 1.66 Allowed 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.563 -179.503 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.799 HD23 ' HB ' ' A' ' 858' ' ' ILE . 0.4 OUTLIER -56.79 -36.52 69.97 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.722 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 854' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 854' ' ' LEU . 2.1 mm? -60.87 -41.89 96.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.543 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.14 -59.22 5.24 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.753 178.393 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 856' ' ' ILE . . . . . 0.578 ' O ' ' NE2' ' A' ' 831' ' ' HIS . 0.0 OUTLIER -58.77 -29.87 41.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 177.852 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 96.93 35.4 5.35 Favored Glycine 0 CA--C 1.517 0.202 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 858' ' ' ILE . . . . . 0.799 ' HB ' HD23 ' A' ' 853' ' ' LEU . 2.4 mm -97.46 85.83 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 178.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 10.5 mt -76.07 -24.86 55.12 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.972 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 860' ' ' ASN . . . . . 0.485 ' HB3' ' CG ' ' A' ' 863' ' ' HIS . 1.0 OUTLIER -43.22 101.27 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.675 -179.279 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.59 -52.29 10.81 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.384 -178.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -57.59 -42.42 94.1 Favored Glycine 0 C--N 1.322 -0.214 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 863' ' ' HIS . . . . . 0.485 ' CG ' ' HB3' ' A' ' 860' ' ' ASN . 29.4 m170 -69.25 -42.15 76.01 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 864' ' ' ARG . . . . . 0.777 ' HD2' HD13 ' A' ' 853' ' ' LEU . 1.5 mmm180 -52.52 -56.59 14.14 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.752 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -64.73 -45.29 87.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.936 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 866' ' ' ARG . . . . . 0.578 ' HD2' HD11 ' A' ' 825' ' ' LEU . 19.3 ttm180 -58.53 -55.18 38.36 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.639 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 867' ' ' ILE . . . . . 0.647 HG13 HD21 ' A' ' 853' ' ' LEU . 5.3 mm -53.63 -54.01 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.165 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 868' ' ' LEU . . . . . 0.569 HD21 ' HA ' ' A' ' 849' ' ' GLU . 0.4 OUTLIER -54.41 -54.84 35.35 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.102 0.477 . . . . 0.0 110.039 178.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 869' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -57.67 -43.55 85.09 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.007 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 870' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 866' ' ' ARG . . . -60.06 -49.84 76.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.037 -178.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 871' ' ' ILE . . . . . 0.486 ' HB ' ' CA ' ' A' ' 844' ' ' GLY . 41.0 pt -66.5 -37.66 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.852 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 872' ' ' GLN . . . . . 0.651 ' HG2' ' SD ' ' A' ' 848' ' ' MET . 1.1 mt-30 -59.19 -31.82 69.36 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.05 178.015 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 873' ' ' LEU . . . . . 0.406 ' HA ' HD22 ' A' ' 873' ' ' LEU . 1.7 mm? -80.71 -20.84 41.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.259 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 874' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 841' ' ' GLN . 95.0 mt -62.98 147.02 95.03 Favored Pre-proline 0 C--N 1.327 -0.372 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.097 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 875' ' ' PRO . . . . . 0.449 ' C ' HE21 ' A' ' 841' ' ' GLN . 60.9 Cg_endo . . . . . 0 C--N 1.309 -1.553 0 C-N-CA 122.415 2.077 . . . . 0.0 110.994 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 814' ' ' GLN . . . . . 0.888 HE21 ' N ' ' A' ' 814' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.62 165.41 23.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.949 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 816' ' ' VAL . . . . . 0.841 HG11 HD22 ' A' ' 832' ' ' LEU . 2.3 t -61.87 117.47 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.885 0.374 . . . . 0.0 110.366 -177.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 174.47 -75.64 0.08 OUTLIER Glycine 0 CA--C 1.519 0.29 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 818' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 822' ' ' SER . 0.0 OUTLIER -51.12 -35.75 37.07 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.245 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 819' ' ' TRP . . . . . 0.43 ' HZ2' ' N ' ' A' ' 871' ' ' ILE . 30.0 t90 -55.52 -51.08 68.24 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.603 178.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 820' ' ' LEU . . . . . . . . . . . . . 27.4 mt -66.28 -41.55 89.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.126 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -64.96 -39.3 93.28 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.78 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 822' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 818' ' ' GLN . 50.4 m -55.0 -50.9 67.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.829 178.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 823' ' ' ILE . . . . . 0.787 HG21 ' HB2' ' A' ' 870' ' ' ALA . 17.5 pt -75.5 1.67 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.884 177.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 824' ' ' GLY . . . . . 0.402 ' C ' ' HD3' ' A' ' 826' ' ' PRO . . . 61.69 43.59 99.06 Favored Glycine 0 CA--C 1.516 0.114 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 825' ' ' LEU . . . . . 0.508 HD21 ' CZ ' ' A' ' 866' ' ' ARG . 96.0 mt -130.27 62.69 65.86 Favored Pre-proline 0 C--O 1.235 0.326 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.424 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 826' ' ' PRO . . . . . 0.448 ' HD3' ' N ' ' A' ' 825' ' ' LEU . 27.6 Cg_exo -60.5 168.48 6.57 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 122.407 2.072 . . . . 0.0 111.387 178.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 827' ' ' GLN . . . . . 0.452 ' O ' ' ND1' ' A' ' 831' ' ' HIS . 62.2 mt-30 79.44 3.3 2.24 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.228 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 828' ' ' TYR . . . . . 0.411 ' HA ' ' HB2' ' A' ' 831' ' ' HIS . 9.0 m-30 -104.06 -3.89 23.97 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.11 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 829' ' ' GLU . . . . . 0.657 ' CD ' ' H ' ' A' ' 829' ' ' GLU . 0.0 OUTLIER -70.25 -55.19 9.87 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.004 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 830' ' ' ASN . . . . . 0.476 ' H ' ' CD ' ' A' ' 829' ' ' GLU . 11.0 m-80 -54.96 -41.47 71.17 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 831' ' ' HIS . . . . . 0.452 ' ND1' ' O ' ' A' ' 827' ' ' GLN . 20.8 m80 -55.57 -54.07 48.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.936 178.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 832' ' ' LEU . . . . . 0.841 HD22 HG11 ' A' ' 816' ' ' VAL . 1.5 mp -55.76 -50.91 69.14 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 833' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 829' ' ' GLU . 30.9 mmt -55.42 -48.06 74.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.096 178.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -55.46 -34.43 64.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.256 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.436 ' O ' ' ND2' ' A' ' 835' ' ' ASN . 0.1 OUTLIER -88.23 6.55 36.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.12 178.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 65.29 23.82 70.23 Favored Glycine 0 N--CA 1.454 -0.107 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 837' ' ' PHE . . . . . 0.409 ' CE1' HG11 ' A' ' 847' ' ' VAL . 1.4 m-85 -89.14 128.58 35.79 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -144.91 169.2 18.52 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.978 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 839' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 56.15 76.43 0.29 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.235 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 840' ' ' VAL . . . . . 0.792 ' CG1' HG13 ' A' ' 816' ' ' VAL . 34.2 m -45.83 -39.18 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.658 -179.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 841' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 875' ' ' PRO . 54.0 tp60 -58.32 -58.9 6.46 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.179 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 842' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -50.27 -47.86 55.1 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 843' ' ' MET . . . . . 0.445 ' HA ' HG12 ' A' ' 847' ' ' VAL . 88.8 mtp -54.64 -56.59 17.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.195 178.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 844' ' ' GLY . . . . . 0.596 ' HA2' ' HB ' ' A' ' 871' ' ' ILE . . . -62.47 -14.3 48.47 Favored Glycine 0 CA--C 1.511 -0.159 0 N-CA-C 111.574 -0.61 . . . . 0.0 111.574 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.19 1.68 20.46 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.755 0.312 . . . . 0.0 110.338 179.024 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 846' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -131.59 -54.22 1.01 Allowed 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 847' ' ' VAL . . . . . 0.445 HG12 ' HA ' ' A' ' 843' ' ' MET . 1.2 p -108.26 119.23 57.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.092 0.472 . . . . 0.0 111.754 -177.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 848' ' ' MET . . . . . . . . . . . . . 11.6 mtt -139.48 101.55 4.26 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 176.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -167.18 154.8 9.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.562 -178.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 850' ' ' ASP . . . . . 0.427 ' OD1' ' NE ' ' A' ' 864' ' ' ARG . 35.6 t70 -71.51 -48.67 47.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.143 177.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -39.08 47.6 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.748 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 852' ' ' ASP . . . . . 0.499 ' O ' ' HB2' ' A' ' 855' ' ' GLU . 0.6 OUTLIER -60.27 -41.56 93.55 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.212 179.798 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 29.7 mt -57.89 -42.2 84.18 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 176.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 854' ' ' LEU . . . . . 0.428 ' HA ' HD22 ' A' ' 854' ' ' LEU . 0.2 OUTLIER -64.83 -41.28 95.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.337 176.502 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 855' ' ' GLU . . . . . 0.499 ' HB2' ' O ' ' A' ' 852' ' ' ASP . 11.3 mm-40 -51.82 -50.77 60.18 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.988 178.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 856' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 852' ' ' ASP . 0.1 OUTLIER -67.97 -13.58 17.14 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 179.208 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 95.73 17.25 36.38 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.665 -0.574 . . . . 0.0 111.665 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 858' ' ' ILE . . . . . . . . . . . . . 8.9 mm -74.66 98.14 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.96 -74.0 0.26 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.84 0.352 . . . . 0.0 111.353 -177.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 860' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -38.4 110.81 0.14 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.251 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 861' ' ' SER . . . . . 0.588 ' HA ' ' NH1' ' A' ' 864' ' ' ARG . 37.4 m -54.84 -38.08 66.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.701 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -54.46 -47.49 69.19 Favored Glycine 0 N--CA 1.451 -0.327 0 N-CA-C 108.939 -1.665 . . . . 0.0 108.939 176.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 863' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -62.75 -49.03 76.64 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 864' ' ' ARG . . . . . 0.588 ' NH1' ' HA ' ' A' ' 861' ' ' SER . 19.8 mtm-85 -52.23 -52.12 54.27 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -56.82 -47.48 80.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.984 178.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 866' ' ' ARG . . . . . 0.508 ' CZ ' HD21 ' A' ' 825' ' ' LEU . 51.1 mtp180 -58.48 -48.22 81.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.043 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.449 ' O ' ' HB3' ' A' ' 870' ' ' ALA . 5.8 mm -59.68 -44.83 94.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 868' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 868' ' ' LEU . 12.4 tp -56.53 -47.01 80.29 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 869' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -66.72 -34.45 77.88 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.606 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 870' ' ' ALA . . . . . 0.787 ' HB2' HG21 ' A' ' 823' ' ' ILE . . . -59.06 -47.87 83.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.524 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.596 ' HB ' ' HA2' ' A' ' 844' ' ' GLY . 21.7 pt -67.66 -37.92 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 119.8 -0.76 . . . . 0.0 109.631 178.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -59.85 -32.4 70.65 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.796 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.86 -29.37 69.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.086 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 874' ' ' LEU . . . . . . . . . . . . . 61.8 mt -71.28 125.61 91.88 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.47 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 875' ' ' PRO . . . . . 0.49 ' O ' ' NE2' ' A' ' 841' ' ' GLN . 88.7 Cg_exo -42.92 145.57 1.1 Allowed 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 122.846 2.364 . . . . 0.0 112.099 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 876' ' ' LYS . . . . . . . . . . . . . 54.0 mttm . . . . . 0 C--O 1.212 -0.904 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.749 179.212 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 814' ' ' GLN . . . . . 1.05 HE21 ' N ' ' A' ' 814' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 815' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 817' ' ' GLY . 0.2 OUTLIER -78.75 162.25 26.27 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.135 0.493 . . . . 0.0 110.935 -178.522 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 816' ' ' VAL . . . . . 0.409 ' O ' ' HB3' ' A' ' 829' ' ' GLU . 2.8 m -63.83 72.71 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.377 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 817' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 815' ' ' THR . . . -157.85 -78.03 0.02 OUTLIER Glycine 0 C--N 1.315 -0.588 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 818' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 822' ' ' SER . 1.7 tp60 -51.45 -43.17 62.0 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 819' ' ' TRP . . . . . 0.482 ' CE3' HD11 ' A' ' 823' ' ' ILE . 57.3 t90 -52.86 -57.03 11.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.45 176.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 820' ' ' LEU . . . . . 0.538 HD13 ' HB2' ' A' ' 828' ' ' TYR . 28.0 mt -54.75 -50.56 68.12 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.963 177.128 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.2 -30.39 64.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.092 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 822' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 818' ' ' GLN . 7.3 m -69.37 -51.03 40.64 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.999 177.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 823' ' ' ILE . . . . . 0.624 ' HB ' HD11 ' A' ' 825' ' ' LEU . 0.0 OUTLIER -60.66 -34.75 59.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.567 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 824' ' ' GLY . . . . . 0.645 ' C ' HD13 ' A' ' 825' ' ' LEU . . . 110.73 31.81 2.85 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.654 176.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 825' ' ' LEU . . . . . 0.71 ' N ' HD13 ' A' ' 825' ' ' LEU . 0.0 OUTLIER -145.6 86.06 7.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 117.437 0.619 . . . . 0.0 112.345 177.667 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 826' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -66.98 168.91 16.02 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.298 1.999 . . . . 0.0 110.662 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 827' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 71.37 27.14 3.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.179 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 828' ' ' TYR . . . . . 0.61 ' CE2' HD12 ' A' ' 858' ' ' ILE . 1.4 m-85 -104.39 -4.81 22.37 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 176.471 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 829' ' ' GLU . . . . . 0.409 ' HB3' ' O ' ' A' ' 816' ' ' VAL . 0.0 OUTLIER -66.77 -66.23 0.58 Allowed 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.906 179.671 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 830' ' ' ASN . . . . . 0.468 ' OD1' ' ND1' ' A' ' 831' ' ' HIS . 29.0 p-10 -45.56 -39.59 7.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.992 178.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 831' ' ' HIS . . . . . 0.468 ' ND1' ' OD1' ' A' ' 830' ' ' ASN . 70.3 m80 -63.59 -58.7 6.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.259 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 832' ' ' LEU . . . . . 0.416 HD21 ' SD ' ' A' ' 843' ' ' MET . 6.1 mp -59.44 -45.37 91.78 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.941 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 32.4 mmt -57.23 -55.03 40.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.348 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -50.73 -52.27 41.99 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.511 ' HB2' HG23 ' A' ' 856' ' ' ILE . 3.7 t-20 -62.54 -18.61 62.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.377 177.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 82.18 28.09 42.18 Favored Glycine 0 C--N 1.323 -0.179 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 837' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -96.84 82.53 3.28 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.964 0.411 . . . . 0.0 110.306 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 838' ' ' ASP . . . . . 0.403 ' CG ' ' N ' ' A' ' 839' ' ' ASN . 21.3 t70 -92.94 165.65 12.77 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.485 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 839' ' ' ASN . . . . . 0.403 ' N ' ' CG ' ' A' ' 838' ' ' ASP . 30.0 t-20 55.78 86.17 0.06 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.067 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 840' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 841' ' ' GLN . 31.3 m -45.85 -47.56 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.652 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 841' ' ' GLN . . . . . 0.469 ' N ' HG23 ' A' ' 840' ' ' VAL . 11.0 mm-40 -51.82 -54.54 27.7 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 842' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 846' ' ' ASN . 10.9 t80 -57.06 -49.36 76.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.641 178.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 843' ' ' MET . . . . . 0.416 ' SD ' HD21 ' A' ' 832' ' ' LEU . 6.2 ttt -46.75 -56.65 5.86 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.365 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 844' ' ' GLY . . . . . 0.519 ' CA ' ' HB ' ' A' ' 871' ' ' ILE . . . -63.7 -33.12 86.37 Favored Glycine 0 N--CA 1.459 0.223 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.4 m -88.91 8.34 29.83 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.675 0.274 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 846' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 842' ' ' PHE . 52.7 t-20 -130.33 -52.54 1.1 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -178.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 1.4 p -150.63 129.78 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.158 -0.617 . . . . 0.0 112.051 -176.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 848' ' ' MET . . . . . 0.402 ' HB3' ' CD1' ' A' ' 871' ' ' ILE . 0.0 OUTLIER -140.49 102.44 4.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.271 -0.877 . . . . 0.0 108.652 176.628 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.99 162.48 38.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.117 0.484 . . . . 0.0 111.826 -177.045 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 850' ' ' ASP . . . . . 0.5 ' CG ' HH22 ' A' ' 864' ' ' ARG . 4.5 t70 -70.72 -36.2 73.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.574 175.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -50.76 -40.27 54.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.033 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -60.57 -56.93 15.42 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.667 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.669 HD13 ' HB3' ' A' ' 864' ' ' ARG . 16.4 mt -55.29 -39.08 69.45 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.7 -48.57 74.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.563 176.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -49.23 -48.63 45.39 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.861 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 856' ' ' ILE . . . . . 0.511 HG23 ' HB2' ' A' ' 835' ' ' ASN . 0.0 OUTLIER -82.98 6.22 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.57 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 56.99 41.02 92.12 Favored Glycine 0 C--N 1.32 -0.358 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 858' ' ' ILE . . . . . 0.61 HD12 ' CE2' ' A' ' 828' ' ' TYR . 33.4 mm -67.14 133.15 31.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 859' ' ' LEU . . . . . 0.453 ' HA ' HD23 ' A' ' 859' ' ' LEU . 31.4 mt -96.49 -74.42 0.56 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.844 -178.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 860' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -41.75 103.11 0.03 OUTLIER 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.97 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.95 -37.78 72.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.493 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -57.92 -52.06 54.49 Favored Glycine 0 CA--C 1.508 -0.37 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 863' ' ' HIS . . . . . 0.579 ' CG ' ' HB3' ' A' ' 825' ' ' LEU . 2.6 m-70 -60.76 -39.71 89.77 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 177.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 864' ' ' ARG . . . . . 0.669 ' HB3' HD13 ' A' ' 853' ' ' LEU . 0.3 OUTLIER -55.28 -57.72 10.65 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.41 179.358 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -65.25 -36.12 83.14 Favored 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.437 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 866' ' ' ARG . . . . . 0.589 ' NH1' ' O ' ' A' ' 823' ' ' ILE . 0.3 OUTLIER -57.61 -54.27 48.78 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 177.269 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 4.1 mm -57.03 -53.3 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.273 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 7.1 tp -53.88 -53.06 57.87 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.688 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 869' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -66.14 -40.42 90.58 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.187 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 870' ' ' ALA . . . . . 0.454 ' CB ' HD13 ' A' ' 823' ' ' ILE . . . -59.67 -49.92 75.86 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.519 ' HB ' ' CA ' ' A' ' 844' ' ' GLY . 40.0 pt -61.12 -40.68 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 C-N-CA 119.57 -0.852 . . . . 0.0 109.368 178.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 872' ' ' GLN . . . . . 0.551 ' O ' ' NZ ' ' A' ' 876' ' ' LYS . 8.2 mm100 -64.85 -18.57 65.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.964 176.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 873' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' A' ' 873' ' ' LEU . 0.2 OUTLIER -90.04 -0.85 57.81 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.603 179.2 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 874' ' ' LEU . . . . . 0.511 ' HB2' ' HD3' ' A' ' 875' ' ' PRO . 97.2 mt -84.72 -52.32 0.52 Allowed Pre-proline 0 C--N 1.325 -0.497 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.546 -179.002 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 875' ' ' PRO . . . . . 0.511 ' HD3' ' HB2' ' A' ' 874' ' ' LEU . 74.3 Cg_endo -76.25 -8.63 18.73 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.321 2.014 . . . . 0.0 112.713 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 876' ' ' LYS . . . . . 0.551 ' NZ ' ' O ' ' A' ' 872' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.207 -1.184 0 CA-C-O 118.333 -0.841 . . . . 0.0 110.534 -178.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 814' ' ' GLN . . . . . 0.535 ' N ' ' OE1' ' A' ' 818' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 815' ' ' THR . . . . . 0.523 ' O ' ' N ' ' A' ' 817' ' ' GLY . 62.5 p -78.3 165.92 23.3 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.768 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 816' ' ' VAL . . . . . 0.427 HG22 ' H ' ' A' ' 816' ' ' VAL . 4.4 m -63.05 72.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.247 0.546 . . . . 0.0 110.276 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 817' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 815' ' ' THR . . . -158.17 -81.61 0.04 OUTLIER Glycine 0 C--N 1.319 -0.413 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 818' ' ' GLN . . . . . 0.535 ' OE1' ' N ' ' A' ' 814' ' ' GLN . 0.0 OUTLIER -51.92 -43.72 63.53 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.28 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 819' ' ' TRP . . . . . 0.45 ' CH2' HG23 ' A' ' 871' ' ' ILE . 36.8 t90 -49.95 -55.89 12.76 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.829 177.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 820' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 829' ' ' GLU . 16.6 mt -54.93 -46.03 74.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.708 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -59.43 -43.05 93.17 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 1.6 m -52.94 -37.59 61.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.212 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 823' ' ' ILE . . . . . 0.641 ' CD1' HD12 ' A' ' 825' ' ' LEU . 12.2 pt -95.31 13.09 3.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.074 0.464 . . . . 0.0 110.423 177.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 58.63 41.94 95.92 Favored Glycine 0 N--CA 1.46 0.245 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.863 177.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 825' ' ' LEU . . . . . 0.641 HD12 ' CD1' ' A' ' 823' ' ' ILE . 15.7 mt -119.36 70.1 11.59 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 121.248 0.547 . . . . 0.0 110.885 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 826' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.96 165.25 32.95 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.844 2.363 . . . . 0.0 111.856 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 827' ' ' GLN . . . . . 0.442 ' O ' ' ND1' ' A' ' 831' ' ' HIS . 50.5 mt-30 69.12 -3.86 1.41 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.556 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 828' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -102.72 -3.14 26.92 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.57 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 829' ' ' GLU . . . . . 0.601 ' CD ' ' H ' ' A' ' 829' ' ' GLU . 0.1 OUTLIER -71.75 -49.52 38.39 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.627 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 830' ' ' ASN . . . . . 0.453 ' N ' ' HG2' ' A' ' 829' ' ' GLU . 15.6 m-80 -59.96 -34.65 73.55 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.358 176.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 831' ' ' HIS . . . . . 0.442 ' ND1' ' O ' ' A' ' 827' ' ' GLN . 16.5 m80 -57.09 -57.84 10.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.751 178.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 832' ' ' LEU . . . . . 0.587 HD22 ' SD ' ' A' ' 843' ' ' MET . 4.9 mt -64.59 -43.38 94.03 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.144 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -52.34 65.47 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -58.75 -42.8 89.69 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -67.78 -1.48 5.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.941 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 58.73 26.72 60.61 Favored Glycine 0 N--CA 1.451 -0.34 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 837' ' ' PHE . . . . . 0.424 ' CE1' ' HG2' ' A' ' 843' ' ' MET . 0.1 OUTLIER -105.16 97.91 7.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.677 0.275 . . . . 0.0 110.46 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -109.89 176.56 5.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.135 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 839' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 70.03 80.63 0.17 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.571 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 840' ' ' VAL . . . . . 0.422 ' CG1' ' CE3' ' A' ' 819' ' ' TRP . 29.0 m -52.54 -35.62 20.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.828 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 841' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -62.31 -57.34 11.72 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 842' ' ' PHE . . . . . 0.44 ' CD2' ' ND2' ' A' ' 846' ' ' ASN . 6.7 t80 -54.36 -45.42 72.76 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.442 178.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 843' ' ' MET . . . . . 0.587 ' SD ' HD22 ' A' ' 832' ' ' LEU . 10.6 mtp -55.43 -57.04 13.52 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.553 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 844' ' ' GLY . . . . . . . . . . . . . . . -57.29 -32.01 63.21 Favored Glycine 0 CA--C 1.507 -0.408 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.09 22.29 8.69 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 120.655 0.264 . . . . 0.0 111.187 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 846' ' ' ASN . . . . . 0.44 ' ND2' ' CD2' ' A' ' 842' ' ' PHE . 4.4 m-80 -129.85 -55.72 1.13 Allowed 'General case' 0 CA--C 1.507 -0.675 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.671 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 847' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 847' ' ' VAL . 14.9 p -154.5 127.05 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 C-N-CA 120.556 -0.457 . . . . 0.0 111.354 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 848' ' ' MET . . . . . 0.61 ' HB3' HD12 ' A' ' 871' ' ' ILE . 5.3 ptp -141.0 101.45 4.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.243 176.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 849' ' ' GLU . . . . . 0.465 ' N ' ' OD2' ' A' ' 852' ' ' ASP . 12.2 mt-10 -158.28 -172.35 3.84 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.103 0.478 . . . . 0.0 110.399 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 850' ' ' ASP . . . . . 0.545 ' HA ' ' CD ' ' A' ' 864' ' ' ARG . 20.0 p-10 -73.6 -54.94 7.0 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.081 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -48.39 -54.66 13.2 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.949 -177.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 852' ' ' ASP . . . . . 0.465 ' OD2' ' N ' ' A' ' 849' ' ' GLU . 0.0 OUTLIER -57.72 -53.06 62.45 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 120.7 0.286 . . . . 0.0 110.695 -178.484 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.874 HD13 ' HA ' ' A' ' 864' ' ' ARG . 40.8 mt -56.99 -41.15 77.91 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -47.24 77.38 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.589 177.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.08 -48.21 17.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.024 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 856' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.82 -34.8 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.04 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 95.16 43.22 3.55 Favored Glycine 0 CA--C 1.519 0.288 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 858' ' ' ILE . . . . . 0.568 HG21 ' CG ' ' A' ' 863' ' ' HIS . 4.2 mm -75.53 151.67 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -96.48 -74.58 0.56 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.556 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 860' ' ' ASN . . . . . 0.554 ' O ' ' ND1' ' A' ' 863' ' ' HIS . 29.5 t-20 -50.54 101.53 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.681 -178.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -45.28 -34.43 2.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -53.27 -27.8 33.08 Favored Glycine 0 C--N 1.322 -0.225 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 863' ' ' HIS . . . . . 0.568 ' CG ' HG21 ' A' ' 858' ' ' ILE . 40.6 p-80 -48.43 -46.1 37.2 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-O 120.593 0.235 . . . . 0.0 110.749 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 864' ' ' ARG . . . . . 0.874 ' HA ' HD13 ' A' ' 853' ' ' LEU . 0.3 OUTLIER -51.67 -57.28 9.65 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.713 -178.715 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -64.0 -49.76 71.19 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.327 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 866' ' ' ARG . . . . . 0.524 ' NH2' ' O ' ' A' ' 823' ' ' ILE . 16.5 mmm180 -58.75 -51.88 68.08 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.661 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.504 HG12 HD13 ' A' ' 825' ' ' LEU . 1.9 mm -64.36 -55.0 24.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.36 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 868' ' ' LEU . . . . . 0.598 HD12 ' C ' ' A' ' 868' ' ' LEU . 1.1 pp -52.83 -46.21 67.67 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.433 -177.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 869' ' ' GLN . . . . . 0.459 ' H ' ' HG ' ' A' ' 868' ' ' LEU . 68.8 mt-30 -63.87 -41.7 97.69 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.637 176.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 870' ' ' ALA . . . . . 0.477 ' CB ' HG21 ' A' ' 823' ' ' ILE . . . -59.74 -49.74 76.55 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.11 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.61 HD12 ' HB3' ' A' ' 848' ' ' MET . 0.1 OUTLIER -67.47 -42.15 86.82 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.327 179.214 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -52.94 -29.72 30.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 0.0 110.362 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.33 -20.26 44.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.356 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 874' ' ' LEU . . . . . 0.608 HD12 HG22 ' A' ' 871' ' ' ILE . 95.1 mt -66.31 154.91 89.44 Favored Pre-proline 0 N--CA 1.466 0.368 0 CA-C-O 120.635 0.255 . . . . 0.0 111.029 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.32 150.37 26.23 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.413 2.076 . . . . 0.0 111.28 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 876' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.21 -1.024 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.668 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 814' ' ' GLN . . . . . 0.413 ' N ' ' OE1' ' A' ' 818' ' ' GLN . 4.2 tt0 . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 815' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 816' ' ' VAL . 2.4 m -78.42 167.13 21.78 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 178.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 816' ' ' VAL . . . . . 0.46 HG22 ' H ' ' A' ' 816' ' ' VAL . 0.6 OUTLIER -60.04 164.34 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.346 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 76.25 -68.95 2.3 Favored Glycine 0 C--N 1.314 -0.68 0 N-CA-C 108.714 -1.754 . . . . 0.0 108.714 -175.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 818' ' ' GLN . . . . . 0.413 ' OE1' ' N ' ' A' ' 814' ' ' GLN . 9.6 tm0? -52.45 -39.75 61.43 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 175.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 819' ' ' TRP . . . . . 0.51 ' CG ' HG11 ' A' ' 840' ' ' VAL . 24.9 t90 -59.69 -55.17 37.69 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.763 178.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 820' ' ' LEU . . . . . 0.411 HD23 HD11 ' A' ' 823' ' ' ILE . 83.1 mt -54.82 -44.56 73.96 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.943 178.279 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -62.42 -48.22 80.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.49 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 39.2 m -52.86 -51.04 62.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.362 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 823' ' ' ILE . . . . . 0.528 HG21 ' HB1' ' A' ' 870' ' ' ALA . 27.6 pt -74.09 -0.03 2.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.033 0.444 . . . . 0.0 110.549 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 64.88 38.58 95.71 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 825' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' A' ' 825' ' ' LEU . 54.1 mt -132.91 63.45 67.18 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.95 0.405 . . . . 0.0 110.559 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 826' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -69.09 169.23 18.54 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.652 2.235 . . . . 0.0 111.585 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 827' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 73.49 28.95 1.66 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.425 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 828' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -126.2 -4.39 6.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.452 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 829' ' ' GLU . . . . . 0.426 ' HG3' ' SD ' ' A' ' 833' ' ' MET . 1.2 tp10 -57.35 -61.11 2.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.788 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -45.62 -46.54 14.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.938 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 831' ' ' HIS . . . . . 0.41 ' HB3' ' HB ' ' A' ' 856' ' ' ILE . 23.5 m80 -64.28 -49.26 72.52 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.218 178.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 832' ' ' LEU . . . . . 0.507 ' HG ' ' CG ' ' A' ' 837' ' ' PHE . 1.2 mp -54.35 -52.18 62.39 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 833' ' ' MET . . . . . 0.426 ' SD ' ' HG3' ' A' ' 829' ' ' GLU . 28.5 mtp -60.31 -52.85 63.51 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.045 178.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -49.42 -51.23 36.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.478 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -65.82 -28.44 68.99 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.274 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 103.09 34.85 3.84 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 837' ' ' PHE . . . . . 0.507 ' CG ' ' HG ' ' A' ' 832' ' ' LEU . 4.3 m-85 -68.74 99.82 1.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.065 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 838' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 839' ' ' ASN . 6.4 t70 -71.18 176.58 4.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.191 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 839' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 838' ' ' ASP . 47.2 t-20 -31.48 116.82 0.18 Allowed 'General case' 0 C--O 1.237 0.432 0 CA-C-O 120.845 0.355 . . . . 0.0 110.526 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 840' ' ' VAL . . . . . 0.51 HG11 ' CG ' ' A' ' 819' ' ' TRP . 34.9 m -45.91 -39.84 3.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.883 -179.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 841' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -60.11 -47.61 85.17 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 842' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 846' ' ' ASN . 11.4 t80 -60.9 -51.71 68.14 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 176.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 843' ' ' MET . . . . . 0.452 ' HE1' ' CE2' ' A' ' 837' ' ' PHE . 29.8 mmm -49.75 -55.96 12.04 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.135 178.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 844' ' ' GLY . . . . . 0.431 ' HA2' ' HB ' ' A' ' 871' ' ' ILE . . . -56.4 -28.2 54.91 Favored Glycine 0 CA--C 1.51 -0.235 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.3 m -102.35 13.62 34.12 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.715 0.293 . . . . 0.0 110.58 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 846' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 842' ' ' PHE . 9.8 t-20 -126.23 -54.37 1.48 Allowed 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.996 -177.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 13.4 p -152.72 140.76 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.314 -0.554 . . . . 0.0 112.053 -178.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 848' ' ' MET . . . . . . . . . . . . . 3.9 ptm -140.31 103.48 4.59 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.553 176.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 849' ' ' GLU . . . . . 0.422 ' O ' ' HG ' ' A' ' 853' ' ' LEU . 0.1 OUTLIER -150.71 166.72 29.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.759 -178.449 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 850' ' ' ASP . . . . . 0.433 ' OD1' ' NH2' ' A' ' 864' ' ' ARG . 0.0 OUTLIER -71.77 -46.17 59.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.235 178.851 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -48.68 -47.99 40.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.481 -177.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.65 -49.95 73.5 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.222 0.534 . . . . 0.0 110.107 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.483 ' HB2' ' HD3' ' A' ' 864' ' ' ARG . 11.2 mt -64.36 -50.93 65.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.666 178.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.31 -39.2 66.76 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.31 -48.27 71.53 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.325 178.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 856' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 853' ' ' LEU . 8.7 pt -74.72 7.89 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.387 177.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 61.77 43.11 99.68 Favored Glycine 0 C--O 1.234 0.13 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.026 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 858' ' ' ILE . . . . . 0.606 HG21 ' N ' ' A' ' 864' ' ' ARG . 7.9 mm -50.91 122.71 2.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 42.3 mt -39.65 -73.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -176.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 860' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -123.34 177.18 5.72 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.32 0.581 . . . . 0.0 112.194 -177.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 3.3 m -61.61 -39.21 90.44 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.655 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -53.24 -51.39 47.25 Favored Glycine 0 N--CA 1.454 -0.137 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 863' ' ' HIS . . . . . 0.531 ' HB3' HG23 ' A' ' 858' ' ' ILE . 22.2 m170 -58.69 -50.74 72.75 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 176.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 864' ' ' ARG . . . . . 0.606 ' N ' HG21 ' A' ' 858' ' ' ILE . 0.0 OUTLIER -52.51 -54.91 26.29 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.448 178.262 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 865' ' ' GLN . . . . . 0.432 ' NE2' ' OE1' ' A' ' 869' ' ' GLN . 7.8 tm0? -55.62 -50.29 70.54 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.466 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 866' ' ' ARG . . . . . 0.442 ' NH2' ' OE1' ' A' ' 869' ' ' GLN . 0.0 OUTLIER -58.84 -52.61 65.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.64 -179.651 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.436 HG21 HD22 ' A' ' 853' ' ' LEU . 3.7 mm -57.13 -47.18 84.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 7.4 tp -59.14 -49.59 77.3 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.212 0.53 . . . . 0.0 109.916 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 869' ' ' GLN . . . . . 0.442 ' OE1' ' NH2' ' A' ' 866' ' ' ARG . 6.1 mt-30 -61.4 -40.19 93.5 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.969 178.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 870' ' ' ALA . . . . . 0.528 ' HB1' HG21 ' A' ' 823' ' ' ILE . . . -59.0 -49.56 77.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.774 -178.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.679 ' HA ' HD12 ' A' ' 874' ' ' LEU . 46.6 pt -67.2 -37.65 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 120.059 -0.656 . . . . 0.0 109.885 178.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 872' ' ' GLN . . . . . 0.423 ' N ' HG13 ' A' ' 871' ' ' ILE . 34.2 mt-30 -62.37 -39.63 93.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.18 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -67.34 -30.98 70.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.094 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 874' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 871' ' ' ILE . 76.2 mt -55.78 111.98 3.76 Favored Pre-proline 0 N--CA 1.465 0.293 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.56 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.22 107.42 0.19 Allowed 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.254 1.969 . . . . 0.0 111.15 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 876' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.21 -0.979 0 CA-C-O 118.078 -0.963 . . . . 0.0 111.069 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 814' ' ' GLN . . . . . 1.011 ' N ' HE22 ' A' ' 818' ' ' GLN . 9.0 tt0 . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 815' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 817' ' ' GLY . 0.6 OUTLIER -77.96 165.38 24.14 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.041 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 816' ' ' VAL . . . . . 0.568 HG21 ' HG3' ' A' ' 833' ' ' MET . 5.4 m -63.21 71.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-O 121.442 0.639 . . . . 0.0 110.294 -178.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 817' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 815' ' ' THR . . . -158.5 -74.59 0.02 OUTLIER Glycine 0 C--N 1.308 -0.984 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 818' ' ' GLN . . . . . 1.011 HE22 ' N ' ' A' ' 814' ' ' GLN . 0.0 OUTLIER -51.9 -45.98 64.39 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 175.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 819' ' ' TRP . . . . . 0.575 ' CE2' ' HB1' ' A' ' 870' ' ' ALA . 11.3 t90 -52.99 -62.47 1.63 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.578 176.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 820' ' ' LEU . . . . . 0.449 ' HB3' ' O ' ' A' ' 825' ' ' LEU . 64.5 mt -54.52 -47.61 72.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.986 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -56.99 -46.98 81.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.335 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 8.2 m -52.78 -51.45 60.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.508 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 823' ' ' ILE . . . . . 1.063 HG21 ' HB2' ' A' ' 870' ' ' ALA . 9.2 pt -75.42 -11.32 14.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.926 0.393 . . . . 0.0 111.025 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 81.79 33.57 26.97 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 825' ' ' LEU . . . . . 0.537 HD12 HD12 ' A' ' 823' ' ' ILE . 61.5 mt -123.82 51.2 3.99 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 120.842 0.353 . . . . 0.0 110.577 178.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 826' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 825' ' ' LEU . 25.0 Cg_endo -62.94 169.15 9.37 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.719 2.28 . . . . 0.0 112.116 -179.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 827' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 63.94 20.86 12.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.934 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 828' ' ' TYR . . . . . 0.435 ' HB2' HD13 ' A' ' 820' ' ' LEU . 3.2 m-85 -104.51 -2.67 24.93 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 829' ' ' GLU . . . . . 0.441 ' HB3' HG23 ' A' ' 816' ' ' VAL . 0.5 OUTLIER -55.53 -76.2 0.03 OUTLIER 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.26 -178.83 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -46.68 -37.09 7.82 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.582 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 831' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -63.01 -58.07 8.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.485 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 1.7 mp -61.45 -51.52 68.34 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.036 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 833' ' ' MET . . . . . 0.568 ' HG3' HG21 ' A' ' 816' ' ' VAL . 14.1 mtm -54.7 -46.88 74.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.587 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -55.99 -36.12 67.54 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 120.996 0.427 . . . . 0.0 109.941 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.479 ' HB3' ' CD2' ' A' ' 837' ' ' PHE . 2.0 t30 -81.13 5.77 15.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.733 178.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 836' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 838' ' ' ASP . . . 80.42 -1.08 83.21 Favored Glycine 0 CA--C 1.518 0.257 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 837' ' ' PHE . . . . . 0.479 ' CD2' ' HB3' ' A' ' 835' ' ' ASN . 20.2 m-85 -71.19 54.65 0.19 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.081 0.467 . . . . 0.0 110.481 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 838' ' ' ASP . . . . . 0.416 ' CG ' ' N ' ' A' ' 839' ' ' ASN . 1.6 t70 -83.27 161.66 21.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.113 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 839' ' ' ASN . . . . . 0.416 ' N ' ' CG ' ' A' ' 838' ' ' ASP . 16.2 t-20 53.35 82.37 0.08 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.096 0.474 . . . . 0.0 110.603 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 840' ' ' VAL . . . . . 0.532 HG23 ' N ' ' A' ' 841' ' ' GLN . 34.8 m -45.21 -49.44 3.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.925 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 841' ' ' GLN . . . . . 0.6 ' HA ' HD13 ' A' ' 874' ' ' LEU . 0.0 OUTLIER -51.96 -58.06 7.6 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.314 179.712 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 842' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 846' ' ' ASN . 0.2 OUTLIER -59.87 -48.08 83.13 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.894 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 843' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -51.67 -56.08 15.77 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.549 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 844' ' ' GLY . . . . . . . . . . . . . . . -57.9 -42.83 94.93 Favored Glycine 0 CA--C 1.507 -0.429 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.1 m -84.29 13.22 5.53 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 120.825 0.345 . . . . 0.0 110.446 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 846' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 842' ' ' PHE . 4.7 t-20 -112.32 -53.73 2.68 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.858 -178.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 10.7 p -152.59 142.79 15.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.964 0.412 . . . . 0.0 111.115 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 848' ' ' MET . . . . . 0.568 ' HG2' HD12 ' A' ' 871' ' ' ILE . 3.0 mtt -135.24 102.29 5.12 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 849' ' ' GLU . . . . . 0.462 ' HB3' ' CG ' ' A' ' 851' ' ' GLN . 36.0 mm-40 -157.1 136.71 12.26 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 850' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -45.0 -26.6 0.45 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.849 0.357 . . . . 0.0 111.292 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 851' ' ' GLN . . . . . 0.462 ' CG ' ' HB3' ' A' ' 849' ' ' GLU . 0.2 OUTLIER -56.24 -26.1 50.09 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.505 179.277 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 852' ' ' ASP . . . . . 0.57 ' OD1' ' N ' ' A' ' 853' ' ' LEU . 9.4 p30 -56.03 -62.82 1.44 Allowed 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.221 0.534 . . . . 0.0 110.91 -178.062 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.853 HD12 ' HD2' ' A' ' 864' ' ' ARG . 9.4 mt -67.33 -25.85 66.21 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.82 178.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 854' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 854' ' ' LEU . 11.9 tp -65.43 -39.34 91.99 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 855' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 852' ' ' ASP . 8.4 mm-40 -57.4 -53.68 55.43 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.093 178.348 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 856' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -9.34 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.94 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 78.19 39.13 24.04 Favored Glycine 0 CA--C 1.522 0.527 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.208 177.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 858' ' ' ILE . . . . . 0.412 ' HB ' ' HB3' ' A' ' 853' ' ' LEU . 18.9 mm -81.38 120.74 33.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 43.9 mt -96.01 -11.61 26.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.461 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 860' ' ' ASN . . . . . 0.589 ' O ' ' CD2' ' A' ' 863' ' ' HIS . 15.1 t-20 -62.75 162.5 10.75 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 1.3 m -94.19 -52.87 4.18 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.179 0.514 . . . . 0.0 111.312 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -53.88 -43.75 71.1 Favored Glycine 0 CA--C 1.523 0.537 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.843 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 863' ' ' HIS . . . . . 0.687 ' CD2' ' H ' ' A' ' 864' ' ' ARG . 1.4 p80 -39.27 -46.88 1.6 Allowed 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.774 0.287 . . . . 0.0 111.276 -177.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 864' ' ' ARG . . . . . 0.853 ' HD2' HD12 ' A' ' 853' ' ' LEU . 0.1 OUTLIER -54.73 -55.69 27.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.962 0.411 . . . . 0.0 110.286 179.414 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 865' ' ' GLN . . . . . 0.627 ' HA ' HD23 ' A' ' 868' ' ' LEU . 11.1 mm100 -61.51 -50.07 74.18 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.259 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 866' ' ' ARG . . . . . 0.428 ' NE ' ' OE1' ' A' ' 869' ' ' GLN . 12.4 mmp_? -60.01 -51.98 67.33 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.022 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.753 HG13 HD21 ' A' ' 853' ' ' LEU . 7.4 mm -59.82 -46.81 93.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.813 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 868' ' ' LEU . . . . . 0.635 HD12 ' C ' ' A' ' 868' ' ' LEU . 0.3 OUTLIER -54.43 -45.25 72.98 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.094 -0.643 . . . . 0.0 109.449 178.643 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 869' ' ' GLN . . . . . 0.569 ' N ' ' HG ' ' A' ' 868' ' ' LEU . 27.8 mt-30 -64.54 -39.84 94.49 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.286 176.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 870' ' ' ALA . . . . . 1.063 ' HB2' HG21 ' A' ' 823' ' ' ILE . . . -58.9 -49.21 78.66 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.629 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.568 HD12 ' HG2' ' A' ' 848' ' ' MET . 18.0 pt -68.07 -45.14 83.95 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.915 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -53.92 -29.03 40.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.398 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.44 -16.75 60.86 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.38 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 874' ' ' LEU . . . . . 0.6 HD13 ' HA ' ' A' ' 841' ' ' GLN . 32.9 mt -76.86 -54.03 1.71 Allowed Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -177.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 875' ' ' PRO . . . . . 0.581 ' HD3' ' HB2' ' A' ' 874' ' ' LEU . 32.9 Cg_exo -55.69 110.57 0.58 Allowed 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 121.721 1.614 . . . . 0.0 111.316 178.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 876' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.206 -1.207 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.219 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 814' ' ' GLN . . . . . 1.07 HE21 ' N ' ' A' ' 814' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 815' ' ' THR . . . . . 0.473 ' H ' ' HG2' ' A' ' 814' ' ' GLN . 1.6 p -83.43 163.81 20.3 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.27 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 816' ' ' VAL . . . . . 0.527 HG11 ' HB3' ' A' ' 832' ' ' LEU . 6.4 m -63.65 173.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.339 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 817' ' ' GLY . . . . . 1.002 ' H ' HD12 ' A' ' 820' ' ' LEU . . . 79.24 -75.85 2.02 Favored Glycine 0 C--O 1.224 -0.486 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 -177.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.69 -51.02 62.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.303 0.573 . . . . 0.0 109.677 177.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 819' ' ' TRP . . . . . 0.957 ' CE3' HG11 ' A' ' 840' ' ' VAL . 67.4 t90 -58.53 -53.49 57.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.6 178.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 820' ' ' LEU . . . . . 1.002 HD12 ' H ' ' A' ' 817' ' ' GLY . 13.5 mt -54.46 -51.31 65.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.515 178.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -56.8 -48.38 78.09 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.829 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 22.3 m -52.85 -48.72 66.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.885 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 823' ' ' ILE . . . . . 0.819 HG21 ' HB1' ' A' ' 870' ' ' ALA . 44.3 pt -73.84 -1.52 2.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.943 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 91.44 28.47 14.55 Favored Glycine 0 CA--C 1.519 0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.134 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 825' ' ' LEU . . . . . 0.531 HD12 HD11 ' A' ' 823' ' ' ILE . 99.2 mt -123.19 71.17 44.16 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.964 0.382 . . . . 0.0 111.338 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 826' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 827' ' ' GLN . 54.4 Cg_endo -73.19 147.36 42.35 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.167 1.911 . . . . 0.0 110.882 178.171 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 827' ' ' GLN . . . . . 0.435 ' CB ' ' O ' ' A' ' 826' ' ' PRO . 1.5 tt0 83.31 17.28 0.27 Allowed 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.035 0.445 . . . . 0.0 110.706 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 828' ' ' TYR . . . . . 0.756 ' CB ' HD13 ' A' ' 820' ' ' LEU . 9.3 m-85 -104.51 -4.89 22.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.029 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 829' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' A' ' 829' ' ' GLU . 1.8 pm0 -63.88 -73.91 0.11 Allowed 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.303 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -45.0 -34.36 2.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.959 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 831' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -64.15 -57.67 8.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.809 178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 832' ' ' LEU . . . . . 0.527 ' HB3' HG11 ' A' ' 816' ' ' VAL . 5.8 mp -68.81 -35.99 77.68 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.166 178.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 39.7 mtm -60.28 -56.71 18.25 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.149 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -55.99 -44.79 78.91 Favored 'General case' 0 CA--C 1.511 -0.558 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 177.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -64.78 -9.24 18.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.241 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 61.75 35.37 91.15 Favored Glycine 0 C--O 1.235 0.196 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 837' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -107.63 50.22 0.78 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.134 0.492 . . . . 0.0 110.696 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 838' ' ' ASP . . . . . 0.467 ' HA ' HG13 ' A' ' 816' ' ' VAL . 3.7 t0 -77.59 176.21 9.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.026 178.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 839' ' ' ASN . . . . . 0.406 ' N ' ' OD1' ' A' ' 838' ' ' ASP . 7.0 t30 54.24 65.71 1.43 Allowed 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.352 0.596 . . . . 0.0 109.655 -179.131 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 840' ' ' VAL . . . . . 0.957 HG11 ' CE3' ' A' ' 819' ' ' TRP . 16.5 m -44.93 -28.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.361 -176.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 841' ' ' GLN . . . . . 0.653 ' CD ' ' H ' ' A' ' 841' ' ' GLN . 0.0 OUTLIER -52.23 -41.43 62.76 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.805 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 842' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' A' ' 846' ' ' ASN . 16.3 m-30 -62.27 -49.3 76.21 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.481 177.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 843' ' ' MET . . . . . . . . . . . . . 82.5 mtp -49.21 -56.6 8.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.218 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 844' ' ' GLY . . . . . 0.437 ' CA ' ' HB ' ' A' ' 871' ' ' ILE . . . -56.47 -33.94 62.95 Favored Glycine 0 N--CA 1.458 0.153 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.5 m -89.32 -9.98 48.47 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.517 0.198 . . . . 0.0 111.353 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 846' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 842' ' ' PHE . 7.6 t30 -105.65 -54.71 2.44 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -177.333 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 3.5 p -152.88 138.37 11.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 C-N-CA 120.541 -0.464 . . . . 0.0 111.391 -177.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 848' ' ' MET . . . . . 0.429 ' HB3' HD11 ' A' ' 871' ' ' ILE . 9.3 ptp -140.06 100.94 4.04 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.843 176.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -179.0 -161.69 0.04 OUTLIER 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.944 0.402 . . . . 0.0 111.239 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 850' ' ' ASP . . . . . 0.522 ' HA ' ' CD ' ' A' ' 864' ' ' ARG . 3.2 m-20 -72.81 -50.86 21.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.165 -178.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -47.36 -37.81 11.84 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.685 -176.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.95 -61.95 2.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.126 0.488 . . . . 0.0 110.526 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.827 HD12 ' HD2' ' A' ' 864' ' ' ARG . 21.1 mt -64.03 -38.27 90.45 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.816 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.71 -47.08 74.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.386 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -53.05 -52.91 57.0 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.968 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 856' ' ' ILE . . . . . 0.415 HG13 ' HA ' ' A' ' 853' ' ' LEU . 0.2 OUTLIER -63.21 -15.55 16.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.194 178.651 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 80.91 31.47 35.39 Favored Glycine 0 C--O 1.237 0.296 0 N-CA-C 111.816 -0.514 . . . . 0.0 111.816 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 858' ' ' ILE . . . . . . . . . . . . . 23.4 mm -75.67 104.87 4.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.143 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 35.7 mt -79.43 -11.16 59.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.016 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 860' ' ' ASN . . . . . 0.507 ' O ' ' CD2' ' A' ' 863' ' ' HIS . 32.3 m120 -51.88 160.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.283 -178.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.13 -52.7 4.44 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.048 0.451 . . . . 0.0 111.71 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 862' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 863' ' ' HIS . . . -76.87 -32.49 49.57 Favored Glycine 0 N--CA 1.467 0.744 0 CA-C-N 116.168 -0.469 . . . . 0.0 113.058 -175.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 863' ' ' HIS . . . . . 0.53 ' CD2' ' H ' ' A' ' 864' ' ' ARG . 1.8 p80 -34.18 -46.76 0.26 Allowed 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 117.045 0.422 . . . . 0.0 111.605 -177.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 864' ' ' ARG . . . . . 0.827 ' HD2' HD12 ' A' ' 853' ' ' LEU . 4.7 mmm180 -51.75 -56.71 12.2 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 120.92 0.39 . . . . 0.0 110.532 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -60.71 -49.46 77.42 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.468 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 866' ' ' ARG . . . . . 0.506 ' HB2' HD11 ' A' ' 825' ' ' LEU . 1.4 mmp_? -58.39 -46.59 86.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.586 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.67 HG13 HD21 ' A' ' 853' ' ' LEU . 8.9 mm -65.14 -48.81 82.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.812 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 868' ' ' LEU . . . . . 0.555 HD23 HH12 ' A' ' 864' ' ' ARG . 0.2 OUTLIER -53.75 -55.57 25.13 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.833 0.349 . . . . 0.0 111.144 -177.864 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 869' ' ' GLN . . . . . 0.445 ' OE1' ' NH2' ' A' ' 866' ' ' ARG . 1.4 pt20 -61.39 -43.28 99.15 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.143 0.497 . . . . 0.0 109.977 179.136 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 870' ' ' ALA . . . . . 0.819 ' HB1' HG21 ' A' ' 823' ' ' ILE . . . -59.92 -49.79 76.32 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.601 -178.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.437 ' HB ' ' CA ' ' A' ' 844' ' ' GLY . 18.8 pt -67.64 -42.63 86.73 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 C-N-CA 119.887 -0.725 . . . . 0.0 110.702 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -56.19 -30.55 62.42 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -73.73 -4.19 33.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.951 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 874' ' ' LEU . . . . . 0.481 HD13 HG23 ' A' ' 840' ' ' VAL . 58.1 mt -90.74 130.21 41.78 Favored Pre-proline 0 C--N 1.326 -0.437 0 C-N-CA 121.034 -0.267 . . . . 0.0 110.306 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.02 161.93 4.47 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.37 2.047 . . . . 0.0 111.338 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 876' ' ' LYS . . . . . 0.401 ' HZ3' ' C ' ' A' ' 876' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.207 -1.145 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.695 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 814' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 . . . . . 0 N--CA 1.488 1.43 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.15 166.35 22.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.633 -178.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 816' ' ' VAL . . . . . 0.57 HG12 ' CG1' ' A' ' 840' ' ' VAL . 17.5 m -62.14 -118.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.924 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 817' ' ' GLY . . . . . 0.483 ' H ' HG23 ' A' ' 816' ' ' VAL . . . 50.87 -85.55 0.01 OUTLIER Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 818' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 816' ' ' VAL . 19.4 mp0 -52.39 -39.53 60.96 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.857 0.36 . . . . 0.0 110.271 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 819' ' ' TRP . . . . . 0.567 ' CD2' HG11 ' A' ' 840' ' ' VAL . 44.5 t90 -57.94 -50.58 72.9 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 820' ' ' LEU . . . . . 0.716 HD13 ' HB3' ' A' ' 828' ' ' TYR . 13.8 mt -58.25 -43.16 87.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.605 177.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -62.1 -42.44 99.23 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.596 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 6.1 m -57.28 -46.0 83.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.219 178.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 823' ' ' ILE . . . . . 0.465 ' O ' ' NH2' ' A' ' 866' ' ' ARG . 28.6 pt -82.88 12.77 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.099 0.476 . . . . 0.0 110.113 177.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 824' ' ' GLY . . . . . 0.443 ' C ' ' HD3' ' A' ' 826' ' ' PRO . . . 54.55 47.21 71.07 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 825' ' ' LEU . . . . . 0.604 HD11 ' HB2' ' A' ' 866' ' ' ARG . 13.3 mt -123.34 66.14 32.65 Favored Pre-proline 0 C--N 1.33 -0.27 0 O-C-N 122.673 -0.31 . . . . 0.0 111.573 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 826' ' ' PRO . . . . . 0.443 ' HD3' ' C ' ' A' ' 824' ' ' GLY . 35.6 Cg_exo -56.32 168.59 1.97 Allowed 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.369 2.046 . . . . 0.0 111.319 176.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 827' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 65.08 20.24 11.99 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.592 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 828' ' ' TYR . . . . . 0.716 ' HB3' HD13 ' A' ' 820' ' ' LEU . 0.6 OUTLIER -112.77 -5.33 13.91 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 178.08 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 829' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -71.11 -77.43 0.09 Allowed 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.256 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -46.29 -35.47 5.33 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 831' ' ' HIS . . . . . 0.526 ' HB3' HD12 ' A' ' 856' ' ' ILE . 2.6 m80 -57.68 -57.55 12.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.089 178.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 832' ' ' LEU . . . . . 0.542 ' CD2' HG11 ' A' ' 816' ' ' VAL . 3.2 mp -69.63 -41.71 75.27 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.162 179.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 5.6 tpp -58.25 -55.44 34.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.964 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -57.32 -39.62 76.21 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -73.2 2.08 8.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.097 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 55.16 35.4 59.87 Favored Glycine 0 N--CA 1.452 -0.259 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 837' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.59 102.94 12.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.775 0.322 . . . . 0.0 111.079 -179.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 838' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' A' ' 839' ' ' ASN . 9.4 p-10 -139.02 113.58 9.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.934 177.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 839' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 838' ' ' ASP . 37.2 p30 141.47 59.82 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.148 0.979 . . . . 0.0 109.799 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 840' ' ' VAL . . . . . 0.57 ' CG1' HG12 ' A' ' 816' ' ' VAL . 34.5 m -45.72 -45.91 4.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.252 -178.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 841' ' ' GLN . . . . . 0.443 ' N ' HG23 ' A' ' 840' ' ' VAL . 0.8 OUTLIER -52.8 -53.0 54.66 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.263 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 842' ' ' PHE . . . . . 0.485 ' O ' ' N ' ' A' ' 846' ' ' ASN . 93.2 t80 -61.65 -48.51 80.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.259 177.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 843' ' ' MET . . . . . 0.421 ' SD ' HG21 ' A' ' 871' ' ' ILE . 13.3 ttt -45.52 -55.86 5.75 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.036 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 844' ' ' GLY . . . . . 0.465 ' CA ' ' HB ' ' A' ' 871' ' ' ILE . . . -68.68 -31.22 73.08 Favored Glycine 0 C--N 1.32 -0.329 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 845' ' ' SER . . . . . 0.564 ' OG ' ' NZ ' ' A' ' 876' ' ' LYS . 26.6 m -92.03 8.9 35.59 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 846' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 842' ' ' PHE . 19.2 t-20 -129.31 -56.55 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.75 -0.78 . . . . 0.0 112.67 -177.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 11.3 p -154.96 148.27 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.081 -0.647 . . . . 0.0 112.32 -178.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 848' ' ' MET . . . . . 0.444 ' SD ' ' NE2' ' A' ' 872' ' ' GLN . 0.0 OUTLIER -125.98 101.75 6.95 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 173.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -121.44 120.5 35.13 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.054 0.455 . . . . 0.0 112.072 -175.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 850' ' ' ASP . . . . . 0.799 ' HA ' HD12 ' A' ' 853' ' ' LEU . 10.4 t70 -63.65 -35.16 79.63 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 175.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 851' ' ' GLN . . . . . 0.404 ' HG3' ' H ' ' A' ' 851' ' ' GLN . 8.8 mt-30 -53.05 -49.79 65.61 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.799 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -43.68 79.02 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 120.914 0.388 . . . . 0.0 110.016 -179.277 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.799 HD12 ' HA ' ' A' ' 850' ' ' ASP . 11.6 mt -59.83 -38.36 81.81 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 2.2 mp -72.19 -44.38 63.1 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.585 177.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 855' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 851' ' ' GLN . 1.6 mm-40 -50.74 -52.8 37.02 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.213 178.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 856' ' ' ILE . . . . . 0.526 HD12 ' HB3' ' A' ' 831' ' ' HIS . 6.4 pt -69.16 -18.62 22.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 121.087 0.47 . . . . 0.0 109.919 177.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 96.45 40.84 3.82 Favored Glycine 0 CA--C 1.53 1.023 0 CA-C-N 115.904 -0.589 . . . . 0.0 113.533 175.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 858' ' ' ILE . . . . . 0.541 HG21 ' OH ' ' A' ' 828' ' ' TYR . 44.3 mm -79.35 115.89 22.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 175.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.71 -75.71 0.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -177.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 860' ' ' ASN . . . . . 0.529 HD21 ' CE1' ' A' ' 863' ' ' HIS . 2.0 p-10 -55.0 105.03 0.14 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.857 0.36 . . . . 0.0 110.998 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 861' ' ' SER . . . . . 0.632 ' HA ' ' HE ' ' A' ' 864' ' ' ARG . 43.0 m -45.99 -26.63 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.055 -178.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -53.22 -37.68 55.22 Favored Glycine 0 C--O 1.226 -0.375 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 177.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 863' ' ' HIS . . . . . 0.529 ' CE1' HD21 ' A' ' 860' ' ' ASN . 0.3 OUTLIER -68.66 -36.9 79.17 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 176.913 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 864' ' ' ARG . . . . . 0.632 ' HE ' ' HA ' ' A' ' 861' ' ' SER . 74.4 mtm180 -68.9 -53.54 20.54 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 177.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -57.26 -50.25 73.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.003 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 866' ' ' ARG . . . . . 0.604 ' HB2' HD11 ' A' ' 825' ' ' LEU . 68.8 mtp85 -58.03 -48.92 78.62 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.429 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.657 HG13 ' CZ ' ' A' ' 828' ' ' TYR . 10.5 mm -57.9 -52.69 54.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.495 -0.482 . . . . 0.0 109.957 178.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.03 -54.08 44.2 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 869' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -58.93 -44.58 91.37 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.483 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 870' ' ' ALA . . . . . 0.404 ' O ' ' HG ' ' A' ' 874' ' ' LEU . . . -58.84 -49.28 78.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.705 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.632 ' HA ' HD12 ' A' ' 874' ' ' LEU . 48.0 pt -67.59 -42.58 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 120.021 -0.672 . . . . 0.0 110.418 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 872' ' ' GLN . . . . . 0.449 ' N ' HG13 ' A' ' 871' ' ' ILE . 69.4 mt-30 -55.88 -38.45 70.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.361 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -78.25 -17.78 56.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.86 -178.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 874' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 871' ' ' ILE . 58.2 mt -55.98 147.9 41.77 Favored Pre-proline 0 N--CA 1.469 0.479 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.069 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.36 116.72 3.15 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 122.533 2.156 . . . . 0.0 111.616 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 876' ' ' LYS . . . . . 0.564 ' NZ ' ' OG ' ' A' ' 845' ' ' SER . 3.3 tptp . . . . . 0 C--O 1.205 -1.243 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.252 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 814' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 1.7 p -77.76 166.66 22.68 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 816' ' ' VAL . . . . . 0.614 HG22 ' CG ' ' A' ' 838' ' ' ASP . 3.1 m -59.58 101.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.434 0.635 . . . . 0.0 110.814 -176.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . -173.57 -91.73 0.08 OUTLIER Glycine 0 CA--C 1.52 0.37 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 -51.31 -29.03 13.68 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 120.987 0.423 . . . . 0.0 110.005 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 819' ' ' TRP . . . . . 0.622 ' CE2' HD11 ' A' ' 874' ' ' LEU . 12.4 t90 -57.98 -54.57 45.42 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.683 178.074 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 820' ' ' LEU . . . . . 0.448 HD21 ' HB2' ' A' ' 828' ' ' TYR . 5.8 mt -55.03 -38.54 68.09 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.823 177.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -67.33 -46.0 74.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.349 176.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 9.1 m -53.01 -51.24 62.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.053 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 823' ' ' ILE . . . . . 0.693 HD12 HD12 ' A' ' 825' ' ' LEU . 6.2 pt -76.4 -12.5 14.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.092 178.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 66.05 46.27 81.92 Favored Glycine 0 N--CA 1.453 -0.227 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 825' ' ' LEU . . . . . 0.693 HD12 HD12 ' A' ' 823' ' ' ILE . 28.6 mt -129.69 58.27 36.58 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 120.641 0.258 . . . . 0.0 111.175 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 826' ' ' PRO . . . . . 0.496 ' O ' ' HB3' ' A' ' 827' ' ' GLN . 35.6 Cg_endo -67.46 122.57 9.81 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.044 1.83 . . . . 0.0 111.045 179.039 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 827' ' ' GLN . . . . . 0.496 ' HB3' ' O ' ' A' ' 826' ' ' PRO . 0.7 OUTLIER 152.24 -16.97 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.497 0.719 . . . . 0.0 110.418 179.466 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 828' ' ' TYR . . . . . 0.456 ' CZ ' ' HG3' ' A' ' 827' ' ' GLN . 38.8 m-85 -105.54 -2.62 23.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.635 -177.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 829' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -45.48 -72.49 0.06 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.032 0.444 . . . . 0.0 110.576 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -36.36 71.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.978 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 831' ' ' HIS . . . . . 0.57 ' NE2' ' O ' ' A' ' 856' ' ' ILE . 2.8 t-160 -53.73 -57.46 10.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.329 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 6.3 mp -62.37 -49.48 75.4 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.75 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 18.8 tpp -54.02 -55.96 22.41 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.548 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -50.06 -40.34 44.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.37 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.514 ' ND2' ' CE1' ' A' ' 837' ' ' PHE . 27.2 t30 -85.39 5.65 29.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.921 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 64.57 17.02 61.78 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 837' ' ' PHE . . . . . 0.514 ' CE1' ' ND2' ' A' ' 835' ' ' ASN . 3.4 m-30 -80.93 58.1 3.29 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.833 0.349 . . . . 0.0 110.436 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 838' ' ' ASP . . . . . 0.614 ' CG ' HG22 ' A' ' 816' ' ' VAL . 6.7 t0 -96.52 175.83 6.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.576 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 839' ' ' ASN . . . . . 0.473 ' ND2' ' CG ' ' A' ' 842' ' ' PHE . 37.3 t30 61.53 62.89 1.25 Allowed 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.551 0.691 . . . . 0.0 109.271 -178.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 840' ' ' VAL . . . . . 0.547 HG11 ' CE3' ' A' ' 819' ' ' TRP . 27.2 m -44.94 -43.74 2.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.951 -176.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 841' ' ' GLN . . . . . 0.421 ' H ' ' CD ' ' A' ' 841' ' ' GLN . 0.2 OUTLIER -52.17 -40.21 61.13 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.755 179.314 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 842' ' ' PHE . . . . . 0.473 ' CG ' ' ND2' ' A' ' 839' ' ' ASN . 3.2 m-30 -67.73 -46.43 72.18 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.189 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 843' ' ' MET . . . . . . . . . . . . . 90.3 mtp -48.41 -55.73 10.05 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 844' ' ' GLY . . . . . 0.411 ' HA2' ' HB ' ' A' ' 871' ' ' ILE . . . -59.81 -38.42 93.95 Favored Glycine 0 C--O 1.234 0.152 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 178.049 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 845' ' ' SER . . . . . 0.418 ' HA ' ' HB3' ' A' ' 876' ' ' LYS . 1.8 t -78.69 2.23 20.27 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 178.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 846' ' ' ASN . . . . . 0.842 ' ND2' HG22 ' A' ' 847' ' ' VAL . 0.0 OUTLIER -100.2 -55.6 2.58 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 847' ' ' VAL . . . . . 0.842 HG22 ' ND2' ' A' ' 846' ' ' ASN . 31.1 m -153.79 150.91 11.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 848' ' ' MET . . . . . 0.675 ' SD ' ' HE2' ' A' ' 876' ' ' LYS . 33.6 mtm -123.96 100.87 6.95 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 177.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 173.28 -178.59 0.08 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.418 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 850' ' ' ASP . . . . . 0.661 ' HA ' HD12 ' A' ' 853' ' ' LEU . 3.8 p-10 -71.08 -25.22 62.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.641 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 851' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 855' ' ' GLU . 19.6 mt-30 -48.17 -51.71 23.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.185 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 852' ' ' ASP . . . . . 0.431 ' HB2' HG23 ' A' ' 847' ' ' VAL . 3.5 t70 -57.81 -52.57 64.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.404 0.621 . . . . 0.0 109.651 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.854 HD13 ' CG ' ' A' ' 864' ' ' ARG . 6.7 mt -57.86 -33.59 68.83 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.617 177.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 854' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 850' ' ' ASP . 1.0 OUTLIER -70.55 -40.08 73.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.544 177.673 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 855' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 851' ' ' GLN . 24.5 mm-40 -53.4 -53.67 47.86 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 856' ' ' ILE . . . . . 0.57 ' O ' ' NE2' ' A' ' 831' ' ' HIS . 0.0 OUTLIER -64.39 -34.09 67.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 176.663 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 95.7 43.33 3.4 Favored Glycine 0 C--O 1.228 -0.262 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.479 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 858' ' ' ILE . . . . . 0.464 ' O ' ' NH1' ' A' ' 864' ' ' ARG . 12.7 mm -60.18 144.97 12.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 19.8 mt -96.16 -73.26 0.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.91 0.386 . . . . 0.0 111.187 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 860' ' ' ASN . . . . . 0.464 ' OD1' ' ND1' ' A' ' 863' ' ' HIS . 29.3 t-20 -62.99 121.12 12.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.281 -178.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 861' ' ' SER . . . . . 0.428 ' OG ' ' NH2' ' A' ' 864' ' ' ARG . 32.5 m -69.55 -31.96 70.48 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.042 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -55.8 -52.36 49.08 Favored Glycine 0 C--O 1.235 0.192 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 863' ' ' HIS . . . . . 0.464 ' ND1' ' OD1' ' A' ' 860' ' ' ASN . 25.3 m80 -63.22 -43.36 98.31 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 176.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 864' ' ' ARG . . . . . 0.854 ' CG ' HD13 ' A' ' 853' ' ' LEU . 5.4 ttp180 -51.42 -54.46 26.55 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.722 177.373 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -53.84 -43.27 69.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.272 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 866' ' ' ARG . . . . . 0.67 ' HB3' HD11 ' A' ' 825' ' ' LEU . 16.5 mmm180 -61.59 -46.31 90.41 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.586 HG12 HD13 ' A' ' 825' ' ' LEU . 1.4 mm -63.25 -43.68 98.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 49.4 tp -54.71 -54.93 35.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.603 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 869' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 870' ' ' ALA . 8.8 pt20 -60.55 -38.79 85.62 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.048 179.217 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 870' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 869' ' ' GLN . . . -59.73 -49.64 76.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.765 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.623 ' HA ' HD12 ' A' ' 874' ' ' LEU . 23.6 pt -65.34 -37.18 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.009 178.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 872' ' ' GLN . . . . . 0.474 ' O ' ' NZ ' ' A' ' 876' ' ' LYS . 91.8 mt-30 -61.85 -37.99 86.57 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 3.4 mp -75.25 -36.43 61.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.98 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 874' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 871' ' ' ILE . 19.5 mt -48.41 142.85 7.91 Favored Pre-proline 0 N--CA 1.469 0.505 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.245 -178.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -65.45 123.82 12.0 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.514 2.142 . . . . 0.0 110.907 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 876' ' ' LYS . . . . . 0.675 ' HE2' ' SD ' ' A' ' 848' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.207 -1.144 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.877 -177.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 814' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.07 156.75 28.2 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.313 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 816' ' ' VAL . . . . . 0.444 ' H ' HG22 ' A' ' 816' ' ' VAL . 0.9 OUTLIER -63.47 106.38 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.768 -178.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . -164.65 -82.73 0.05 OUTLIER Glycine 0 CA--C 1.519 0.339 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -52.08 -35.38 47.53 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 120.856 0.36 . . . . 0.0 110.36 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 39.4 t90 -56.53 -50.51 71.63 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 820' ' ' LEU . . . . . 0.437 HD22 ' HB2' ' A' ' 828' ' ' TYR . 57.6 mt -56.2 -48.53 76.23 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.247 178.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -61.76 -45.19 94.96 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.902 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 16.3 m -57.95 -40.32 80.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.302 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 823' ' ' ILE . . . . . 0.675 HG21 ' HB1' ' A' ' 870' ' ' ALA . 46.0 pt -79.28 3.26 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.054 178.377 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 76.86 21.71 73.64 Favored Glycine 0 C--N 1.329 0.193 0 N-CA-C 111.581 -0.608 . . . . 0.0 111.581 178.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 825' ' ' LEU . . . . . 0.498 HD11 ' HB3' ' A' ' 866' ' ' ARG . 43.4 mt -118.98 74.29 13.04 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.786 0.293 . . . . 0.0 110.834 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 826' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -73.98 152.24 46.01 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.01 1.807 . . . . 0.0 111.306 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 827' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 72.01 50.5 0.23 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.394 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 828' ' ' TYR . . . . . 0.437 ' HB2' HD22 ' A' ' 820' ' ' LEU . 23.4 m-85 -133.51 -2.87 3.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.329 177.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 829' ' ' GLU . . . . . 0.421 ' HG2' ' H ' ' A' ' 830' ' ' ASN . 1.0 OUTLIER -53.24 -58.49 6.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.346 179.332 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 830' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 831' ' ' HIS . 34.9 p-10 -48.87 -51.05 31.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.857 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 831' ' ' HIS . . . . . 0.513 ' N ' ' OD1' ' A' ' 830' ' ' ASN . 45.4 m80 -51.26 -58.21 6.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.508 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 832' ' ' LEU . . . . . 0.461 HD23 ' CE ' ' A' ' 843' ' ' MET . 9.7 mp -63.45 -52.02 63.2 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.457 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 32.1 tpp -53.31 -51.0 63.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.378 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -57.44 -45.3 84.87 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.094 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.449 ' ND2' ' HB3' ' A' ' 855' ' ' GLU . 8.1 t-20 -74.28 4.97 4.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.588 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 69.08 14.59 68.55 Favored Glycine 0 CA--C 1.518 0.28 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 837' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.76 70.15 1.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.95 0.405 . . . . 0.0 110.088 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.27 158.37 15.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.973 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 839' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 63.38 83.67 0.16 Allowed 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.08 0.467 . . . . 0.0 110.117 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 840' ' ' VAL . . . . . 0.594 ' HA ' ' SD ' ' A' ' 843' ' ' MET . 27.4 m -47.64 -42.49 8.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.967 -179.098 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 841' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -55.08 -51.93 64.81 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 842' ' ' PHE . . . . . 0.595 ' O ' ' N ' ' A' ' 846' ' ' ASN . 1.7 m-85 -61.84 -54.63 39.52 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.56 178.313 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 843' ' ' MET . . . . . 0.594 ' SD ' ' HA ' ' A' ' 840' ' ' VAL . 8.0 mtp -46.63 -55.65 7.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.015 0.436 . . . . 0.0 110.243 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 844' ' ' GLY . . . . . 0.575 ' HA2' HG23 ' A' ' 871' ' ' ILE . . . -62.99 -19.69 61.56 Favored Glycine 0 CA--C 1.517 0.19 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 19.2 m -99.55 -22.54 15.42 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.86 -0.2 . . . . 0.0 111.49 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 846' ' ' ASN . . . . . 0.595 ' N ' ' O ' ' A' ' 842' ' ' PHE . 17.3 t30 -88.75 -57.12 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -176.017 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 12.3 p -155.16 131.85 2.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.701 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 848' ' ' MET . . . . . 0.635 ' SD ' ' N ' ' A' ' 848' ' ' MET . 0.0 OUTLIER -140.69 102.55 4.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.645 177.786 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -170.41 -171.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.255 0.55 . . . . 0.0 111.897 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 850' ' ' ASP . . . . . 0.521 ' CG ' HH22 ' A' ' 864' ' ' ARG . 0.1 OUTLIER -60.5 -49.06 79.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.706 -177.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -47.52 -47.43 27.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.38 -176.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.32 -55.86 29.52 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.329 0.585 . . . . 0.0 109.979 179.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.898 HD13 ' HB3' ' A' ' 864' ' ' ARG . 9.7 mt -56.89 -35.02 68.48 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.431 178.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 4.0 mp -64.69 -47.72 77.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.732 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 855' ' ' GLU . . . . . 0.449 ' HB3' ' ND2' ' A' ' 835' ' ' ASN . 23.0 mt-10 -47.75 -48.98 29.66 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.268 178.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 856' ' ' ILE . . . . . 0.491 HG21 ' HB3' ' A' ' 831' ' ' HIS . 0.0 OUTLIER -86.23 2.92 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.818 178.417 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 53.73 43.24 69.33 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 858' ' ' ILE . . . . . 0.42 ' HB ' ' HG2' ' A' ' 864' ' ' ARG . 13.2 mm -63.69 85.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.907 0.384 . . . . 0.0 110.425 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 859' ' ' LEU . . . . . 0.48 ' H ' HD12 ' A' ' 859' ' ' LEU . 1.5 mp -55.91 -40.24 72.79 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.165 -179.067 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 860' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.42 85.91 0.11 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.166 -178.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 861' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 864' ' ' ARG . 0.7 OUTLIER -46.74 -42.14 16.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.631 179.35 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -56.8 -52.01 53.45 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 863' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -57.72 -41.01 80.88 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 864' ' ' ARG . . . . . 0.898 ' HB3' HD13 ' A' ' 853' ' ' LEU . 0.8 OUTLIER -52.1 -56.39 14.76 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.397 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.99 -41.97 93.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.886 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 866' ' ' ARG . . . . . 0.498 ' HB3' HD11 ' A' ' 825' ' ' LEU . 9.5 tpt180 -58.06 -50.54 73.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.833 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.483 HG12 ' CD1' ' A' ' 825' ' ' LEU . 3.8 mm -59.29 -45.7 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 868' ' ' LEU . . . . . 0.566 HD11 HD11 ' A' ' 853' ' ' LEU . 33.7 mt -57.08 -55.44 34.73 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.783 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 869' ' ' GLN . . . . . 0.544 ' HG3' ' N ' ' A' ' 870' ' ' ALA . 3.9 pt20 -60.68 -42.24 96.7 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.271 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 870' ' ' ALA . . . . . 0.675 ' HB1' HG21 ' A' ' 823' ' ' ILE . . . -59.16 -48.81 80.26 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.079 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.575 HG23 ' HA2' ' A' ' 844' ' ' GLY . 0.1 OUTLIER -61.86 -47.09 94.86 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.819 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 872' ' ' GLN . . . . . 0.437 ' N ' HG22 ' A' ' 871' ' ' ILE . 5.5 mm-40 -59.58 -22.31 61.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.264 178.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.85 -4.5 59.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.074 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 874' ' ' LEU . . . . . 0.546 ' HB2' ' HD3' ' A' ' 875' ' ' PRO . 80.0 mt -75.55 -49.34 3.76 Favored Pre-proline 0 C--N 1.328 -0.347 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.395 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 875' ' ' PRO . . . . . 0.546 ' HD3' ' HB2' ' A' ' 874' ' ' LEU . 77.5 Cg_exo -47.11 99.24 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 122.352 2.035 . . . . 0.0 111.758 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 876' ' ' LYS . . . . . . . . . . . . . 19.2 mttp . . . . . 0 C--O 1.208 -1.126 0 CA-C-O 118.131 -0.938 . . . . 0.0 110.423 179.931 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 814' ' ' GLN . . . . . 0.524 ' N ' ' OE1' ' A' ' 818' ' ' GLN . 6.0 tt0 . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.04 165.19 24.32 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.478 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 816' ' ' VAL . . . . . 0.599 HG21 ' HG3' ' A' ' 833' ' ' MET . 12.8 m -63.07 84.58 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-O 121.399 0.618 . . . . 0.0 110.124 -179.267 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 177.56 -67.41 0.08 OUTLIER Glycine 0 C--N 1.312 -0.792 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 818' ' ' GLN . . . . . 0.524 ' OE1' ' N ' ' A' ' 814' ' ' GLN . 3.4 tm0? -51.23 -46.04 62.15 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 176.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 819' ' ' TRP . . . . . 0.49 ' CE3' HG11 ' A' ' 840' ' ' VAL . 42.0 t90 -56.85 -53.97 51.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.57 178.199 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 820' ' ' LEU . . . . . . . . . . . . . 56.5 mt -53.57 -46.26 70.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.046 178.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.437 ' HG2' ' HB3' ' A' ' 826' ' ' PRO . 1.9 mt-10 -60.54 -49.68 76.55 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 7.1 m -52.5 -45.33 66.15 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.721 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 823' ' ' ILE . . . . . 0.498 ' O ' ' HD3' ' A' ' 866' ' ' ARG . 21.6 pt -83.29 6.79 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 120.957 0.408 . . . . 0.0 110.747 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 65.02 38.04 94.96 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.761 -0.535 . . . . 0.0 111.761 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 825' ' ' LEU . . . . . 0.597 ' N ' ' CD ' ' A' ' 826' ' ' PRO . 77.1 mt -131.2 41.0 0.66 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.62 0.21 . . . . 0.0 110.848 178.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 826' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 825' ' ' LEU . 48.1 Cg_endo -70.03 122.66 9.26 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 122.06 1.84 . . . . 0.0 111.097 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 827' ' ' GLN . . . . . 0.489 ' HB3' ' O ' ' A' ' 826' ' ' PRO . 1.8 pt20 151.58 -13.28 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.678 0.791 . . . . 0.0 109.706 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 828' ' ' TYR . . . . . 0.562 ' CE1' HD12 ' A' ' 858' ' ' ILE . 60.3 m-85 -103.69 -2.12 27.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.104 -177.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 829' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.93 -77.34 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.033 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -55.63 -38.05 69.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.886 178.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 831' ' ' HIS . . . . . 0.578 ' NE2' ' O ' ' A' ' 856' ' ' ILE . 1.6 t-160 -49.89 -52.71 30.83 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.151 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 2.2 mp -59.25 -52.17 66.82 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 833' ' ' MET . . . . . 0.599 ' HG3' HG21 ' A' ' 816' ' ' VAL . 7.5 mtp -52.22 -54.73 27.33 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.919 178.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -49.18 -51.34 33.26 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.335 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.432 ' CB ' HG23 ' A' ' 856' ' ' ILE . 4.5 t30 -70.13 -3.67 17.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.964 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 77.45 26.89 60.4 Favored Glycine 0 C--O 1.236 0.256 0 N-CA-C 110.529 -1.029 . . . . 0.0 110.529 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 837' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -98.14 83.3 3.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.814 0.34 . . . . 0.0 110.185 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 838' ' ' ASP . . . . . 0.47 ' CG ' ' N ' ' A' ' 839' ' ' ASN . 16.3 t70 -102.66 168.44 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.735 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 839' ' ' ASN . . . . . 0.47 ' N ' ' CG ' ' A' ' 838' ' ' ASP . 55.9 t-20 52.37 81.38 0.08 Allowed 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.333 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 840' ' ' VAL . . . . . 0.49 HG11 ' CE3' ' A' ' 819' ' ' TRP . 27.5 m -53.57 -42.28 49.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.672 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 841' ' ' GLN . . . . . 0.418 ' HA ' HD13 ' A' ' 874' ' ' LEU . 0.0 OUTLIER -59.55 -48.42 81.74 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 178.681 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 842' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 846' ' ' ASN . 89.2 t80 -60.94 -48.19 82.95 Favored 'General case' 0 CA--C 1.505 -0.768 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 843' ' ' MET . . . . . . . . . . . . . 38.9 mtp -46.1 -56.32 5.79 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 844' ' ' GLY . . . . . 0.486 ' CA ' ' HB ' ' A' ' 871' ' ' ILE . . . -57.58 -35.66 74.27 Favored Glycine 0 C--O 1.226 -0.355 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 178.117 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.6 m -92.78 13.62 19.72 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.647 0.26 . . . . 0.0 110.794 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 846' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 842' ' ' PHE . 12.8 t-20 -129.67 -52.32 1.16 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.458 -177.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 6.1 p -152.27 130.29 2.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.912 0.387 . . . . 0.0 110.683 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 848' ' ' MET . . . . . 0.651 ' SD ' ' HG2' ' A' ' 872' ' ' GLN . 9.2 mtm -139.22 101.8 4.35 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 849' ' ' GLU . . . . . 0.569 ' HA ' HD21 ' A' ' 868' ' ' LEU . 2.5 pt-20 -172.49 157.39 3.96 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.236 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 850' ' ' ASP . . . . . 0.422 ' CG ' HH21 ' A' ' 864' ' ' ARG . 0.9 OUTLIER -46.29 -38.92 9.26 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.12 179.538 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -50.88 -31.02 16.14 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.99 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 852' ' ' ASP . . . . . 0.556 ' OD2' HD12 ' A' ' 853' ' ' LEU . 0.0 OUTLIER -70.6 -61.72 1.66 Allowed 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.563 -179.503 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.799 HD23 ' HB ' ' A' ' 858' ' ' ILE . 0.4 OUTLIER -56.79 -36.52 69.97 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.722 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 854' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 854' ' ' LEU . 2.1 mm? -60.87 -41.89 96.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.543 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.14 -59.22 5.24 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.753 178.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 856' ' ' ILE . . . . . 0.578 ' O ' ' NE2' ' A' ' 831' ' ' HIS . 0.0 OUTLIER -58.77 -29.87 41.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 177.852 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 96.93 35.4 5.35 Favored Glycine 0 CA--C 1.517 0.202 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 858' ' ' ILE . . . . . 0.799 ' HB ' HD23 ' A' ' 853' ' ' LEU . 2.4 mm -97.46 85.83 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 178.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 10.5 mt -76.07 -24.86 55.12 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.972 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 860' ' ' ASN . . . . . 0.485 ' HB3' ' CG ' ' A' ' 863' ' ' HIS . 1.0 OUTLIER -43.22 101.27 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.675 -179.279 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.59 -52.29 10.81 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.384 -178.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -57.59 -42.42 94.1 Favored Glycine 0 C--N 1.322 -0.214 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 863' ' ' HIS . . . . . 0.485 ' CG ' ' HB3' ' A' ' 860' ' ' ASN . 29.4 m170 -69.25 -42.15 76.01 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 864' ' ' ARG . . . . . 0.777 ' HD2' HD13 ' A' ' 853' ' ' LEU . 1.5 mmm180 -52.52 -56.59 14.14 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.752 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -64.73 -45.29 87.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.936 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 866' ' ' ARG . . . . . 0.578 ' HD2' HD11 ' A' ' 825' ' ' LEU . 19.3 ttm180 -58.53 -55.18 38.36 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.639 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 867' ' ' ILE . . . . . 0.647 HG13 HD21 ' A' ' 853' ' ' LEU . 5.3 mm -53.63 -54.01 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.165 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 868' ' ' LEU . . . . . 0.569 HD21 ' HA ' ' A' ' 849' ' ' GLU . 0.4 OUTLIER -54.41 -54.84 35.35 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.102 0.477 . . . . 0.0 110.039 178.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 869' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -57.67 -43.55 85.09 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.007 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 870' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 866' ' ' ARG . . . -60.06 -49.84 76.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.037 -178.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 871' ' ' ILE . . . . . 0.486 ' HB ' ' CA ' ' A' ' 844' ' ' GLY . 41.0 pt -66.5 -37.66 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.852 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 872' ' ' GLN . . . . . 0.651 ' HG2' ' SD ' ' A' ' 848' ' ' MET . 1.1 mt-30 -59.19 -31.82 69.36 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.05 178.015 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 873' ' ' LEU . . . . . 0.406 ' HA ' HD22 ' A' ' 873' ' ' LEU . 1.7 mm? -80.71 -20.84 41.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.259 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 874' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 841' ' ' GLN . 95.0 mt -62.98 147.02 95.03 Favored Pre-proline 0 C--N 1.327 -0.372 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.097 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -76.31 178.44 7.51 Favored 'Trans proline' 0 C--N 1.309 -1.553 0 C-N-CA 122.415 2.077 . . . . 0.0 110.994 178.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 876' ' ' LYS . . . . . . . . . . . . . 1.2 pttm . . . . . 0 C--O 1.209 -1.066 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.706 179.202 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.585 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 816' ' ' VAL . . . . . 0.841 HG11 HD22 ' A' ' 832' ' ' LEU . 2.3 t -61.87 117.47 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.885 0.374 . . . . 0.0 110.366 -177.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 174.47 -75.64 0.08 OUTLIER Glycine 0 CA--C 1.519 0.29 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 818' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 822' ' ' SER . 1.5 mt-30 -51.12 -35.75 37.07 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 819' ' ' TRP . . . . . 0.43 ' HZ2' ' N ' ' A' ' 871' ' ' ILE . 30.0 t90 -55.52 -51.08 68.24 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.603 178.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 820' ' ' LEU . . . . . . . . . . . . . 27.4 mt -66.28 -41.55 89.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.126 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -64.96 -39.3 93.28 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.78 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 822' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 818' ' ' GLN . 50.4 m -55.0 -50.9 67.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.829 178.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 823' ' ' ILE . . . . . 0.787 HG21 ' HB2' ' A' ' 870' ' ' ALA . 17.5 pt -75.5 1.67 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.884 177.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 824' ' ' GLY . . . . . 0.402 ' C ' ' HD3' ' A' ' 826' ' ' PRO . . . 61.69 43.59 99.06 Favored Glycine 0 CA--C 1.516 0.114 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . 0.508 HD21 ' CZ ' ' A' ' 866' ' ' ARG . 96.0 mt -130.27 62.69 65.86 Favored Pre-proline 0 C--O 1.235 0.326 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.424 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 826' ' ' PRO . . . . . 0.448 ' HD3' ' N ' ' A' ' 825' ' ' LEU . 27.6 Cg_exo -60.5 168.48 6.57 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 122.407 2.072 . . . . 0.0 111.387 178.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 827' ' ' GLN . . . . . 0.452 ' O ' ' ND1' ' A' ' 831' ' ' HIS . 62.2 mt-30 79.44 3.3 2.24 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.228 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 828' ' ' TYR . . . . . 0.411 ' HA ' ' HB2' ' A' ' 831' ' ' HIS . 9.0 m-30 -104.06 -3.89 23.97 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.11 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 829' ' ' GLU . . . . . 0.657 ' CD ' ' H ' ' A' ' 829' ' ' GLU . 0.0 OUTLIER -70.25 -55.19 9.87 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.004 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 830' ' ' ASN . . . . . 0.476 ' H ' ' CD ' ' A' ' 829' ' ' GLU . 11.0 m-80 -54.96 -41.47 71.17 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 831' ' ' HIS . . . . . 0.452 ' ND1' ' O ' ' A' ' 827' ' ' GLN . 20.8 m80 -55.57 -54.07 48.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.936 178.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 832' ' ' LEU . . . . . 0.841 HD22 HG11 ' A' ' 816' ' ' VAL . 1.5 mp -55.76 -50.91 69.14 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 833' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 829' ' ' GLU . 30.9 mmt -55.42 -48.06 74.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.096 178.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -55.46 -34.43 64.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.256 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.436 ' O ' ' ND2' ' A' ' 835' ' ' ASN . 0.1 OUTLIER -88.23 6.55 36.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.12 178.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 65.29 23.82 70.23 Favored Glycine 0 N--CA 1.454 -0.107 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 837' ' ' PHE . . . . . 0.409 ' CE1' HG11 ' A' ' 847' ' ' VAL . 1.4 m-85 -89.14 128.58 35.79 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -144.91 169.2 18.52 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.978 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 839' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 56.15 76.43 0.29 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.235 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 840' ' ' VAL . . . . . 0.792 ' CG1' HG13 ' A' ' 816' ' ' VAL . 34.2 m -45.83 -39.18 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.658 -179.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 841' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 875' ' ' PRO . 54.0 tp60 -58.32 -58.9 6.46 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.179 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 842' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -50.27 -47.86 55.1 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 843' ' ' MET . . . . . 0.445 ' HA ' HG12 ' A' ' 847' ' ' VAL . 88.8 mtp -54.64 -56.59 17.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.195 178.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 844' ' ' GLY . . . . . 0.596 ' HA2' ' HB ' ' A' ' 871' ' ' ILE . . . -62.47 -14.3 48.47 Favored Glycine 0 CA--C 1.511 -0.159 0 N-CA-C 111.574 -0.61 . . . . 0.0 111.574 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.19 1.68 20.46 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.755 0.312 . . . . 0.0 110.338 179.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 846' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -131.59 -54.22 1.01 Allowed 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . 0.445 HG12 ' HA ' ' A' ' 843' ' ' MET . 1.2 p -108.26 119.23 57.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.092 0.472 . . . . 0.0 111.754 -177.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 848' ' ' MET . . . . . . . . . . . . . 11.6 mtt -139.48 101.55 4.26 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 176.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -167.18 154.8 9.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.562 -178.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 850' ' ' ASP . . . . . 0.427 ' OD1' ' NE ' ' A' ' 864' ' ' ARG . 35.6 t70 -71.51 -48.67 47.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.143 177.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -39.08 47.6 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.748 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 852' ' ' ASP . . . . . 0.499 ' O ' ' HB2' ' A' ' 855' ' ' GLU . 0.6 OUTLIER -60.27 -41.56 93.55 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.212 179.798 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 29.7 mt -57.89 -42.2 84.18 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 176.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 854' ' ' LEU . . . . . 0.428 ' HA ' HD22 ' A' ' 854' ' ' LEU . 0.2 OUTLIER -64.83 -41.28 95.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.337 176.502 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 855' ' ' GLU . . . . . 0.499 ' HB2' ' O ' ' A' ' 852' ' ' ASP . 11.3 mm-40 -51.82 -50.77 60.18 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.988 178.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 856' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 852' ' ' ASP . 0.1 OUTLIER -67.97 -13.58 17.14 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 179.208 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 95.73 17.25 36.38 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.665 -0.574 . . . . 0.0 111.665 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 858' ' ' ILE . . . . . . . . . . . . . 8.9 mm -74.66 98.14 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.96 -74.0 0.26 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.84 0.352 . . . . 0.0 111.353 -177.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 860' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -38.4 110.81 0.14 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.251 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 861' ' ' SER . . . . . 0.588 ' HA ' ' NH1' ' A' ' 864' ' ' ARG . 37.4 m -54.84 -38.08 66.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.701 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -54.46 -47.49 69.19 Favored Glycine 0 N--CA 1.451 -0.327 0 N-CA-C 108.939 -1.665 . . . . 0.0 108.939 176.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 863' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -62.75 -49.03 76.64 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 864' ' ' ARG . . . . . 0.588 ' NH1' ' HA ' ' A' ' 861' ' ' SER . 19.8 mtm-85 -52.23 -52.12 54.27 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -56.82 -47.48 80.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.984 178.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 866' ' ' ARG . . . . . 0.508 ' CZ ' HD21 ' A' ' 825' ' ' LEU . 51.1 mtp180 -58.48 -48.22 81.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.043 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.449 ' O ' ' HB3' ' A' ' 870' ' ' ALA . 5.8 mm -59.68 -44.83 94.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 868' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 868' ' ' LEU . 12.4 tp -56.53 -47.01 80.29 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 869' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -66.72 -34.45 77.88 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.606 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 870' ' ' ALA . . . . . 0.787 ' HB2' HG21 ' A' ' 823' ' ' ILE . . . -59.06 -47.87 83.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.524 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.596 ' HB ' ' HA2' ' A' ' 844' ' ' GLY . 21.7 pt -67.66 -37.92 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 119.8 -0.76 . . . . 0.0 109.631 178.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -59.85 -32.4 70.65 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.796 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.86 -29.37 69.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.086 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 874' ' ' LEU . . . . . . . . . . . . . 61.8 mt -71.28 125.61 91.88 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.47 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 875' ' ' PRO . . . . . 0.49 ' O ' ' NE2' ' A' ' 841' ' ' GLN . 88.7 Cg_exo . . . . . 0 N--CA 1.495 1.571 0 C-N-CA 122.846 2.364 . . . . 0.0 112.099 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 815' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 817' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--O 1.236 0.354 0 CA-C-O 121.135 0.493 . . . . 0.0 110.935 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 816' ' ' VAL . . . . . 0.409 ' O ' ' HB3' ' A' ' 829' ' ' GLU . 2.8 m -63.83 72.71 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.377 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 815' ' ' THR . . . -157.85 -78.03 0.02 OUTLIER Glycine 0 C--N 1.315 -0.588 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 818' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 822' ' ' SER . 0.0 OUTLIER -51.45 -43.17 62.0 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.305 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 819' ' ' TRP . . . . . 0.482 ' CE3' HD11 ' A' ' 823' ' ' ILE . 57.3 t90 -52.86 -57.03 11.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.45 176.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 820' ' ' LEU . . . . . 0.538 HD13 ' HB2' ' A' ' 828' ' ' TYR . 28.0 mt -54.75 -50.56 68.12 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.963 177.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.2 -30.39 64.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.092 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 822' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 818' ' ' GLN . 7.3 m -69.37 -51.03 40.64 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.999 177.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 823' ' ' ILE . . . . . 0.624 ' HB ' HD11 ' A' ' 825' ' ' LEU . 0.0 OUTLIER -60.66 -34.75 59.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.567 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 824' ' ' GLY . . . . . 0.645 ' C ' HD13 ' A' ' 825' ' ' LEU . . . 110.73 31.81 2.85 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.654 176.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . 0.71 ' N ' HD13 ' A' ' 825' ' ' LEU . 0.0 OUTLIER -145.6 86.06 7.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 117.437 0.619 . . . . 0.0 112.345 177.667 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 826' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -66.98 168.91 16.02 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.298 1.999 . . . . 0.0 110.662 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 827' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 71.37 27.14 3.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.179 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 828' ' ' TYR . . . . . 0.61 ' CE2' HD12 ' A' ' 858' ' ' ILE . 1.4 m-85 -104.39 -4.81 22.37 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 176.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 829' ' ' GLU . . . . . 0.409 ' HB3' ' O ' ' A' ' 816' ' ' VAL . 0.0 OUTLIER -66.77 -66.23 0.58 Allowed 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.906 179.671 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 830' ' ' ASN . . . . . 0.468 ' OD1' ' ND1' ' A' ' 831' ' ' HIS . 29.0 p-10 -45.56 -39.59 7.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.992 178.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 831' ' ' HIS . . . . . 0.468 ' ND1' ' OD1' ' A' ' 830' ' ' ASN . 70.3 m80 -63.59 -58.7 6.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.259 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 832' ' ' LEU . . . . . 0.416 HD21 ' SD ' ' A' ' 843' ' ' MET . 6.1 mp -59.44 -45.37 91.78 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.941 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 32.4 mmt -57.23 -55.03 40.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.348 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -50.73 -52.27 41.99 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.511 ' HB2' HG23 ' A' ' 856' ' ' ILE . 55.2 t30 -62.54 -18.61 62.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.377 177.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 82.18 28.09 42.18 Favored Glycine 0 C--N 1.323 -0.179 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 837' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -96.84 82.53 3.28 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.964 0.411 . . . . 0.0 110.306 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 838' ' ' ASP . . . . . 0.403 ' CG ' ' N ' ' A' ' 839' ' ' ASN . 21.3 t70 -92.94 165.65 12.77 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.485 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 839' ' ' ASN . . . . . 0.403 ' N ' ' CG ' ' A' ' 838' ' ' ASP . 30.0 t-20 55.78 86.17 0.06 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.067 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 840' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 841' ' ' GLN . 31.3 m -45.85 -47.56 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.652 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 841' ' ' GLN . . . . . 0.469 ' N ' HG23 ' A' ' 840' ' ' VAL . 11.0 mm-40 -51.82 -54.54 27.7 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 842' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 846' ' ' ASN . 10.9 t80 -57.06 -49.36 76.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.641 178.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 843' ' ' MET . . . . . 0.416 ' SD ' HD21 ' A' ' 832' ' ' LEU . 6.2 ttt -46.75 -56.65 5.86 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.365 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 844' ' ' GLY . . . . . 0.519 ' CA ' ' HB ' ' A' ' 871' ' ' ILE . . . -63.7 -33.12 86.37 Favored Glycine 0 N--CA 1.459 0.223 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.4 m -88.91 8.34 29.83 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.675 0.274 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 846' ' ' ASN . . . . . 0.541 HD22 ' C ' ' A' ' 846' ' ' ASN . 0.3 OUTLIER -130.33 -52.54 1.1 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -178.668 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 1.4 p -150.63 129.78 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.158 -0.617 . . . . 0.0 112.051 -176.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 848' ' ' MET . . . . . 0.402 ' HB3' ' CD1' ' A' ' 871' ' ' ILE . 0.0 OUTLIER -140.49 102.44 4.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.271 -0.877 . . . . 0.0 108.652 176.628 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.99 162.48 38.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.117 0.484 . . . . 0.0 111.826 -177.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 850' ' ' ASP . . . . . 0.5 ' CG ' HH22 ' A' ' 864' ' ' ARG . 4.5 t70 -70.72 -36.2 73.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.574 175.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -50.76 -40.27 54.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.033 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -60.57 -56.93 15.42 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.667 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.669 HD13 ' HB3' ' A' ' 864' ' ' ARG . 16.4 mt -55.29 -39.08 69.45 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.7 -48.57 74.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.563 176.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -49.23 -48.63 45.39 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.861 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 856' ' ' ILE . . . . . 0.511 HG23 ' HB2' ' A' ' 835' ' ' ASN . 0.0 OUTLIER -82.98 6.22 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.57 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 56.99 41.02 92.12 Favored Glycine 0 C--N 1.32 -0.358 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 858' ' ' ILE . . . . . 0.61 HD12 ' CE2' ' A' ' 828' ' ' TYR . 33.4 mm -67.14 133.15 31.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . 0.453 ' HA ' HD23 ' A' ' 859' ' ' LEU . 31.4 mt -96.49 -74.42 0.56 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.844 -178.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 860' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -41.75 103.11 0.03 OUTLIER 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.97 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.95 -37.78 72.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.493 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -57.92 -52.06 54.49 Favored Glycine 0 CA--C 1.508 -0.37 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 863' ' ' HIS . . . . . 0.579 ' CG ' ' HB3' ' A' ' 825' ' ' LEU . 2.6 m-70 -60.76 -39.71 89.77 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 177.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 864' ' ' ARG . . . . . 0.669 ' HB3' HD13 ' A' ' 853' ' ' LEU . 0.3 OUTLIER -55.28 -57.72 10.65 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.41 179.358 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -65.25 -36.12 83.14 Favored 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.437 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 866' ' ' ARG . . . . . 0.589 ' NH1' ' O ' ' A' ' 823' ' ' ILE . 0.3 OUTLIER -57.61 -54.27 48.78 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 177.269 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 4.1 mm -57.03 -53.3 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.273 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 7.1 tp -53.88 -53.06 57.87 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.688 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 869' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -66.14 -40.42 90.58 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.187 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 870' ' ' ALA . . . . . 0.454 ' CB ' HD13 ' A' ' 823' ' ' ILE . . . -59.67 -49.92 75.86 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.519 ' HB ' ' CA ' ' A' ' 844' ' ' GLY . 40.0 pt -61.12 -40.68 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 C-N-CA 119.57 -0.852 . . . . 0.0 109.368 178.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -64.85 -18.57 65.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.964 176.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' A' ' 873' ' ' LEU . 0.2 OUTLIER -90.04 -0.85 57.81 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.603 179.2 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 874' ' ' LEU . . . . . 0.511 ' HB2' ' HD3' ' A' ' 875' ' ' PRO . 97.2 mt -84.72 -52.32 0.52 Allowed Pre-proline 0 C--N 1.325 -0.497 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.546 -179.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 875' ' ' PRO . . . . . 0.511 ' HD3' ' HB2' ' A' ' 874' ' ' LEU . 74.3 Cg_endo . . . . . 0 N--CA 1.494 1.504 0 C-N-CA 122.321 2.014 . . . . 0.0 112.713 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 815' ' ' THR . . . . . 0.523 ' O ' ' N ' ' A' ' 817' ' ' GLY . 62.5 p . . . . . 0 C--O 1.241 0.614 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 816' ' ' VAL . . . . . 0.427 HG22 ' H ' ' A' ' 816' ' ' VAL . 4.4 m -63.05 72.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.247 0.546 . . . . 0.0 110.276 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 815' ' ' THR . . . -158.17 -81.61 0.04 OUTLIER Glycine 0 C--N 1.319 -0.413 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -43.72 63.53 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 819' ' ' TRP . . . . . 0.45 ' CH2' HG23 ' A' ' 871' ' ' ILE . 36.8 t90 -49.95 -55.89 12.76 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.829 177.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 820' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 829' ' ' GLU . 16.6 mt -54.93 -46.03 74.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.708 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -59.43 -43.05 93.17 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 1.6 m -52.94 -37.59 61.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.212 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 823' ' ' ILE . . . . . 0.641 ' CD1' HD12 ' A' ' 825' ' ' LEU . 12.2 pt -95.31 13.09 3.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.074 0.464 . . . . 0.0 110.423 177.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 58.63 41.94 95.92 Favored Glycine 0 N--CA 1.46 0.245 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.863 177.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . 0.641 HD12 ' CD1' ' A' ' 823' ' ' ILE . 15.7 mt -119.36 70.1 11.59 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 121.248 0.547 . . . . 0.0 110.885 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 826' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.96 165.25 32.95 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.844 2.363 . . . . 0.0 111.856 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 827' ' ' GLN . . . . . 0.442 ' O ' ' ND1' ' A' ' 831' ' ' HIS . 50.5 mt-30 69.12 -3.86 1.41 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.556 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 828' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -102.72 -3.14 26.92 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.57 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 829' ' ' GLU . . . . . 0.601 ' CD ' ' H ' ' A' ' 829' ' ' GLU . 0.1 OUTLIER -71.75 -49.52 38.39 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.627 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 830' ' ' ASN . . . . . 0.453 ' N ' ' HG2' ' A' ' 829' ' ' GLU . 15.6 m-80 -59.96 -34.65 73.55 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.358 176.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 831' ' ' HIS . . . . . 0.442 ' ND1' ' O ' ' A' ' 827' ' ' GLN . 16.5 m80 -57.09 -57.84 10.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.751 178.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 832' ' ' LEU . . . . . 0.587 HD22 ' SD ' ' A' ' 843' ' ' MET . 4.9 mt -64.59 -43.38 94.03 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.144 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -52.34 65.47 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -58.75 -42.8 89.69 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -67.78 -1.48 5.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.941 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 58.73 26.72 60.61 Favored Glycine 0 N--CA 1.451 -0.34 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 837' ' ' PHE . . . . . 0.424 ' CE1' ' HG2' ' A' ' 843' ' ' MET . 0.1 OUTLIER -105.16 97.91 7.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.677 0.275 . . . . 0.0 110.46 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -109.89 176.56 5.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.135 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 839' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 70.03 80.63 0.17 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.571 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 840' ' ' VAL . . . . . 0.422 ' CG1' ' CE3' ' A' ' 819' ' ' TRP . 29.0 m -52.54 -35.62 20.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.828 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 841' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -62.31 -57.34 11.72 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 842' ' ' PHE . . . . . 0.44 ' CD2' ' ND2' ' A' ' 846' ' ' ASN . 6.7 t80 -54.36 -45.42 72.76 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.442 178.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 843' ' ' MET . . . . . 0.587 ' SD ' HD22 ' A' ' 832' ' ' LEU . 10.6 mtp -55.43 -57.04 13.52 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.553 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 844' ' ' GLY . . . . . . . . . . . . . . . -57.29 -32.01 63.21 Favored Glycine 0 CA--C 1.507 -0.408 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.09 22.29 8.69 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 120.655 0.264 . . . . 0.0 111.187 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 846' ' ' ASN . . . . . 0.44 ' ND2' ' CD2' ' A' ' 842' ' ' PHE . 4.4 m-80 -129.85 -55.72 1.13 Allowed 'General case' 0 CA--C 1.507 -0.675 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.671 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 847' ' ' VAL . 14.9 p -154.5 127.05 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 C-N-CA 120.556 -0.457 . . . . 0.0 111.354 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 848' ' ' MET . . . . . 0.61 ' HB3' HD12 ' A' ' 871' ' ' ILE . 5.3 ptp -141.0 101.45 4.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.243 176.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 849' ' ' GLU . . . . . 0.465 ' N ' ' OD2' ' A' ' 852' ' ' ASP . 12.2 mt-10 -158.28 -172.35 3.84 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.103 0.478 . . . . 0.0 110.399 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 850' ' ' ASP . . . . . 0.545 ' HA ' ' CD ' ' A' ' 864' ' ' ARG . 20.0 p-10 -73.6 -54.94 7.0 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.081 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -48.39 -54.66 13.2 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.949 -177.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 852' ' ' ASP . . . . . 0.465 ' OD2' ' N ' ' A' ' 849' ' ' GLU . 0.0 OUTLIER -57.72 -53.06 62.45 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 120.7 0.286 . . . . 0.0 110.695 -178.484 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.874 HD13 ' HA ' ' A' ' 864' ' ' ARG . 40.8 mt -56.99 -41.15 77.91 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -47.24 77.38 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.589 177.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.08 -48.21 17.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.024 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 856' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.82 -34.8 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.04 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 95.16 43.22 3.55 Favored Glycine 0 CA--C 1.519 0.288 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 858' ' ' ILE . . . . . 0.568 HG21 ' CG ' ' A' ' 863' ' ' HIS . 4.2 mm -75.53 151.67 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -96.48 -74.58 0.56 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.556 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 860' ' ' ASN . . . . . 0.554 ' O ' ' ND1' ' A' ' 863' ' ' HIS . 29.5 t-20 -50.54 101.53 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.681 -178.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -45.28 -34.43 2.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -53.27 -27.8 33.08 Favored Glycine 0 C--N 1.322 -0.225 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 863' ' ' HIS . . . . . 0.568 ' CG ' HG21 ' A' ' 858' ' ' ILE . 40.6 p-80 -48.43 -46.1 37.2 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-O 120.593 0.235 . . . . 0.0 110.749 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 864' ' ' ARG . . . . . 0.874 ' HA ' HD13 ' A' ' 853' ' ' LEU . 0.3 OUTLIER -51.67 -57.28 9.65 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.713 -178.715 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -49.76 71.19 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.327 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 866' ' ' ARG . . . . . 0.524 ' NH2' ' O ' ' A' ' 823' ' ' ILE . 16.5 mmm180 -58.75 -51.88 68.08 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.661 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.504 HG12 HD13 ' A' ' 825' ' ' LEU . 1.9 mm -64.36 -55.0 24.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.36 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 868' ' ' LEU . . . . . 0.598 HD12 ' C ' ' A' ' 868' ' ' LEU . 1.1 pp -52.83 -46.21 67.67 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.433 -177.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 869' ' ' GLN . . . . . 0.459 ' H ' ' HG ' ' A' ' 868' ' ' LEU . 68.8 mt-30 -63.87 -41.7 97.69 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.637 176.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 870' ' ' ALA . . . . . 0.477 ' CB ' HG21 ' A' ' 823' ' ' ILE . . . -59.74 -49.74 76.55 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.11 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.61 HD12 ' HB3' ' A' ' 848' ' ' MET . 0.1 OUTLIER -67.47 -42.15 86.82 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.327 179.214 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -52.94 -29.72 30.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 0.0 110.362 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.33 -20.26 44.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.356 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 874' ' ' LEU . . . . . 0.608 HD12 HG22 ' A' ' 871' ' ' ILE . 95.1 mt -66.31 154.91 89.44 Favored Pre-proline 0 N--CA 1.466 0.368 0 CA-C-O 120.635 0.255 . . . . 0.0 111.029 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo . . . . . 0 N--CA 1.492 1.42 0 C-N-CA 122.413 2.076 . . . . 0.0 111.28 178.784 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 815' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 816' ' ' VAL . 2.4 m . . . . . 0 C--O 1.239 0.531 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 816' ' ' VAL . . . . . 0.46 HG22 ' H ' ' A' ' 816' ' ' VAL . 0.6 OUTLIER -60.04 164.34 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.346 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 76.25 -68.95 2.3 Favored Glycine 0 C--N 1.314 -0.68 0 N-CA-C 108.714 -1.754 . . . . 0.0 108.714 -175.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -52.45 -39.75 61.43 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 175.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 819' ' ' TRP . . . . . 0.51 ' CG ' HG11 ' A' ' 840' ' ' VAL . 24.9 t90 -59.69 -55.17 37.69 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.763 178.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 820' ' ' LEU . . . . . 0.411 HD23 HD11 ' A' ' 823' ' ' ILE . 83.1 mt -54.82 -44.56 73.96 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.943 178.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -62.42 -48.22 80.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.49 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 39.2 m -52.86 -51.04 62.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.362 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 823' ' ' ILE . . . . . 0.528 HG21 ' HB1' ' A' ' 870' ' ' ALA . 27.6 pt -74.09 -0.03 2.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.033 0.444 . . . . 0.0 110.549 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 64.88 38.58 95.71 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' A' ' 825' ' ' LEU . 54.1 mt -132.91 63.45 67.18 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.95 0.405 . . . . 0.0 110.559 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 826' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -69.09 169.23 18.54 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.652 2.235 . . . . 0.0 111.585 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 827' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 73.49 28.95 1.66 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.425 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 828' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -126.2 -4.39 6.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.452 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 829' ' ' GLU . . . . . 0.426 ' HG3' ' SD ' ' A' ' 833' ' ' MET . 1.2 tp10 -57.35 -61.11 2.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.788 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -45.62 -46.54 14.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.938 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 831' ' ' HIS . . . . . 0.41 ' HB3' ' HB ' ' A' ' 856' ' ' ILE . 23.5 m80 -64.28 -49.26 72.52 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.218 178.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 832' ' ' LEU . . . . . 0.507 ' HG ' ' CG ' ' A' ' 837' ' ' PHE . 1.2 mp -54.35 -52.18 62.39 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 833' ' ' MET . . . . . 0.426 ' SD ' ' HG3' ' A' ' 829' ' ' GLU . 28.5 mtp -60.31 -52.85 63.51 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.045 178.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -49.42 -51.23 36.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.478 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -65.82 -28.44 68.99 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.274 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 103.09 34.85 3.84 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 837' ' ' PHE . . . . . 0.507 ' CG ' ' HG ' ' A' ' 832' ' ' LEU . 4.3 m-85 -68.74 99.82 1.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 838' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 839' ' ' ASN . 6.4 t70 -71.18 176.58 4.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.191 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 839' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 838' ' ' ASP . 47.2 t-20 -31.48 116.82 0.18 Allowed 'General case' 0 C--O 1.237 0.432 0 CA-C-O 120.845 0.355 . . . . 0.0 110.526 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 840' ' ' VAL . . . . . 0.51 HG11 ' CG ' ' A' ' 819' ' ' TRP . 34.9 m -45.91 -39.84 3.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.883 -179.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 841' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -60.11 -47.61 85.17 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 842' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 846' ' ' ASN . 11.4 t80 -60.9 -51.71 68.14 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 176.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 843' ' ' MET . . . . . 0.452 ' HE1' ' CE2' ' A' ' 837' ' ' PHE . 29.8 mmm -49.75 -55.96 12.04 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.135 178.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 844' ' ' GLY . . . . . 0.431 ' HA2' ' HB ' ' A' ' 871' ' ' ILE . . . -56.4 -28.2 54.91 Favored Glycine 0 CA--C 1.51 -0.235 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.3 m -102.35 13.62 34.12 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.715 0.293 . . . . 0.0 110.58 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 846' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 842' ' ' PHE . 9.8 t-20 -126.23 -54.37 1.48 Allowed 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.996 -177.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 13.4 p -152.72 140.76 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.314 -0.554 . . . . 0.0 112.053 -178.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 848' ' ' MET . . . . . . . . . . . . . 3.9 ptm -140.31 103.48 4.59 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.553 176.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 849' ' ' GLU . . . . . 0.422 ' O ' ' HG ' ' A' ' 853' ' ' LEU . 0.1 OUTLIER -150.71 166.72 29.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.759 -178.449 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 850' ' ' ASP . . . . . 0.433 ' OD1' ' NH2' ' A' ' 864' ' ' ARG . 0.0 OUTLIER -71.77 -46.17 59.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.235 178.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -48.68 -47.99 40.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.481 -177.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.65 -49.95 73.5 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.222 0.534 . . . . 0.0 110.107 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.483 ' HB2' ' HD3' ' A' ' 864' ' ' ARG . 11.2 mt -64.36 -50.93 65.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.666 178.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.31 -39.2 66.76 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.31 -48.27 71.53 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.325 178.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 856' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 853' ' ' LEU . 8.7 pt -74.72 7.89 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.387 177.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 61.77 43.11 99.68 Favored Glycine 0 C--O 1.234 0.13 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.026 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 858' ' ' ILE . . . . . 0.606 HG21 ' N ' ' A' ' 864' ' ' ARG . 7.9 mm -50.91 122.71 2.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 42.3 mt -39.65 -73.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -176.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 860' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -123.34 177.18 5.72 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.32 0.581 . . . . 0.0 112.194 -177.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 3.3 m -61.61 -39.21 90.44 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.655 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -53.24 -51.39 47.25 Favored Glycine 0 N--CA 1.454 -0.137 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 863' ' ' HIS . . . . . 0.531 ' HB3' HG23 ' A' ' 858' ' ' ILE . 22.2 m170 -58.69 -50.74 72.75 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 176.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 864' ' ' ARG . . . . . 0.606 ' N ' HG21 ' A' ' 858' ' ' ILE . 0.0 OUTLIER -52.51 -54.91 26.29 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.448 178.262 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 865' ' ' GLN . . . . . 0.432 ' NE2' ' OE1' ' A' ' 869' ' ' GLN . 7.8 tm0? -55.62 -50.29 70.54 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.466 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 866' ' ' ARG . . . . . 0.442 ' NH2' ' OE1' ' A' ' 869' ' ' GLN . 0.0 OUTLIER -58.84 -52.61 65.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.64 -179.651 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.436 HG21 HD22 ' A' ' 853' ' ' LEU . 3.7 mm -57.13 -47.18 84.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 7.4 tp -59.14 -49.59 77.3 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.212 0.53 . . . . 0.0 109.916 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 869' ' ' GLN . . . . . 0.442 ' OE1' ' NH2' ' A' ' 866' ' ' ARG . 6.1 mt-30 -61.4 -40.19 93.5 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.969 178.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 870' ' ' ALA . . . . . 0.528 ' HB1' HG21 ' A' ' 823' ' ' ILE . . . -59.0 -49.56 77.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.774 -178.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.679 ' HA ' HD12 ' A' ' 874' ' ' LEU . 46.6 pt -67.2 -37.65 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 120.059 -0.656 . . . . 0.0 109.885 178.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 872' ' ' GLN . . . . . 0.423 ' N ' HG13 ' A' ' 871' ' ' ILE . 34.2 mt-30 -62.37 -39.63 93.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.18 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -67.34 -30.98 70.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.094 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 874' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 871' ' ' ILE . 76.2 mt -55.78 111.98 3.76 Favored Pre-proline 0 N--CA 1.465 0.293 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.56 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo . . . . . 0 N--CA 1.494 1.513 0 C-N-CA 122.254 1.969 . . . . 0.0 111.15 179.176 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 815' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 817' ' ' GLY . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.705 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 816' ' ' VAL . . . . . 0.568 HG21 ' HG3' ' A' ' 833' ' ' MET . 5.4 m -63.21 71.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-O 121.442 0.639 . . . . 0.0 110.294 -178.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 815' ' ' THR . . . -158.5 -74.59 0.02 OUTLIER Glycine 0 C--N 1.308 -0.984 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -45.98 64.39 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 175.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 819' ' ' TRP . . . . . 0.575 ' CE2' ' HB1' ' A' ' 870' ' ' ALA . 11.3 t90 -52.99 -62.47 1.63 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.578 176.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 820' ' ' LEU . . . . . 0.449 ' HB3' ' O ' ' A' ' 825' ' ' LEU . 64.5 mt -54.52 -47.61 72.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.986 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -56.99 -46.98 81.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.335 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 8.2 m -52.78 -51.45 60.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.508 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 823' ' ' ILE . . . . . 1.063 HG21 ' HB2' ' A' ' 870' ' ' ALA . 9.2 pt -75.42 -11.32 14.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.926 0.393 . . . . 0.0 111.025 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 81.79 33.57 26.97 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . 0.537 HD12 HD12 ' A' ' 823' ' ' ILE . 61.5 mt -123.82 51.2 3.99 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 120.842 0.353 . . . . 0.0 110.577 178.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 826' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 825' ' ' LEU . 25.0 Cg_endo -62.94 169.15 9.37 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.719 2.28 . . . . 0.0 112.116 -179.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 827' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 63.94 20.86 12.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.934 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 828' ' ' TYR . . . . . 0.435 ' HB2' HD13 ' A' ' 820' ' ' LEU . 3.2 m-85 -104.51 -2.67 24.93 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 829' ' ' GLU . . . . . 0.441 ' HB3' HG23 ' A' ' 816' ' ' VAL . 0.5 OUTLIER -55.53 -76.2 0.03 OUTLIER 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.26 -178.83 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -46.68 -37.09 7.82 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.582 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 831' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -63.01 -58.07 8.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.485 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 1.7 mp -61.45 -51.52 68.34 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.036 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 833' ' ' MET . . . . . 0.568 ' HG3' HG21 ' A' ' 816' ' ' VAL . 14.1 mtm -54.7 -46.88 74.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.587 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -55.99 -36.12 67.54 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 120.996 0.427 . . . . 0.0 109.941 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.479 ' HB3' ' CD2' ' A' ' 837' ' ' PHE . 2.0 t30 -81.13 5.77 15.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.733 178.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 836' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 838' ' ' ASP . . . 80.42 -1.08 83.21 Favored Glycine 0 CA--C 1.518 0.257 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 837' ' ' PHE . . . . . 0.479 ' CD2' ' HB3' ' A' ' 835' ' ' ASN . 20.2 m-85 -71.19 54.65 0.19 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.081 0.467 . . . . 0.0 110.481 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 838' ' ' ASP . . . . . 0.416 ' CG ' ' N ' ' A' ' 839' ' ' ASN . 1.6 t70 -83.27 161.66 21.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.113 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 839' ' ' ASN . . . . . 0.416 ' N ' ' CG ' ' A' ' 838' ' ' ASP . 16.2 t-20 53.35 82.37 0.08 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.096 0.474 . . . . 0.0 110.603 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 840' ' ' VAL . . . . . 0.532 HG23 ' N ' ' A' ' 841' ' ' GLN . 34.8 m -45.21 -49.44 3.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.925 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 841' ' ' GLN . . . . . 0.6 ' HA ' HD13 ' A' ' 874' ' ' LEU . 0.0 OUTLIER -51.96 -58.06 7.6 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.314 179.712 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 842' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 846' ' ' ASN . 0.2 OUTLIER -59.87 -48.08 83.13 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 843' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -51.67 -56.08 15.77 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.549 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 844' ' ' GLY . . . . . . . . . . . . . . . -57.9 -42.83 94.93 Favored Glycine 0 CA--C 1.507 -0.429 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.1 m -84.29 13.22 5.53 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 120.825 0.345 . . . . 0.0 110.446 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 846' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 842' ' ' PHE . 8.3 t30 -112.32 -53.73 2.68 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.858 -178.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 10.7 p -152.59 142.79 15.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.964 0.412 . . . . 0.0 111.115 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 848' ' ' MET . . . . . 0.568 ' HG2' HD12 ' A' ' 871' ' ' ILE . 3.0 mtt -135.24 102.29 5.12 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 849' ' ' GLU . . . . . 0.462 ' HB3' ' CG ' ' A' ' 851' ' ' GLN . 36.0 mm-40 -157.1 136.71 12.26 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 850' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -45.0 -26.6 0.45 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.849 0.357 . . . . 0.0 111.292 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 851' ' ' GLN . . . . . 0.462 ' CG ' ' HB3' ' A' ' 849' ' ' GLU . 0.0 OUTLIER -56.24 -26.1 50.09 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.505 179.277 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 852' ' ' ASP . . . . . 0.57 ' OD1' ' N ' ' A' ' 853' ' ' LEU . 9.4 p30 -56.03 -62.82 1.44 Allowed 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.221 0.534 . . . . 0.0 110.91 -178.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.853 HD12 ' HD2' ' A' ' 864' ' ' ARG . 9.4 mt -67.33 -25.85 66.21 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.82 178.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 854' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 854' ' ' LEU . 11.9 tp -65.43 -39.34 91.99 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 855' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 852' ' ' ASP . 8.4 mm-40 -57.4 -53.68 55.43 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.093 178.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 856' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -9.34 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.94 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 78.19 39.13 24.04 Favored Glycine 0 CA--C 1.522 0.527 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.208 177.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 858' ' ' ILE . . . . . 0.412 ' HB ' ' HB3' ' A' ' 853' ' ' LEU . 18.9 mm -81.38 120.74 33.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 43.9 mt -96.01 -11.61 26.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.461 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 860' ' ' ASN . . . . . 0.589 ' O ' ' CD2' ' A' ' 863' ' ' HIS . 15.1 t-20 -62.75 162.5 10.75 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 1.3 m -94.19 -52.87 4.18 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.179 0.514 . . . . 0.0 111.312 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -53.88 -43.75 71.1 Favored Glycine 0 CA--C 1.523 0.537 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.843 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 863' ' ' HIS . . . . . 0.687 ' CD2' ' H ' ' A' ' 864' ' ' ARG . 1.4 p80 -39.27 -46.88 1.6 Allowed 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.774 0.287 . . . . 0.0 111.276 -177.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 864' ' ' ARG . . . . . 0.853 ' HD2' HD12 ' A' ' 853' ' ' LEU . 0.1 OUTLIER -54.73 -55.69 27.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.962 0.411 . . . . 0.0 110.286 179.414 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 865' ' ' GLN . . . . . 0.627 ' HA ' HD23 ' A' ' 868' ' ' LEU . 11.1 mm100 -61.51 -50.07 74.18 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.259 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 866' ' ' ARG . . . . . 0.428 ' NE ' ' OE1' ' A' ' 869' ' ' GLN . 12.4 mmp_? -60.01 -51.98 67.33 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.022 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.753 HG13 HD21 ' A' ' 853' ' ' LEU . 7.4 mm -59.82 -46.81 93.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.813 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 868' ' ' LEU . . . . . 0.635 HD12 ' C ' ' A' ' 868' ' ' LEU . 0.3 OUTLIER -54.43 -45.25 72.98 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.094 -0.643 . . . . 0.0 109.449 178.643 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 869' ' ' GLN . . . . . 0.569 ' N ' ' HG ' ' A' ' 868' ' ' LEU . 27.8 mt-30 -64.54 -39.84 94.49 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.286 176.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 870' ' ' ALA . . . . . 1.063 ' HB2' HG21 ' A' ' 823' ' ' ILE . . . -58.9 -49.21 78.66 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.629 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.568 HD12 ' HG2' ' A' ' 848' ' ' MET . 18.0 pt -68.07 -45.14 83.95 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.915 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -53.92 -29.03 40.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.398 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.44 -16.75 60.86 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.38 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 874' ' ' LEU . . . . . 0.6 HD13 ' HA ' ' A' ' 841' ' ' GLN . 32.9 mt -76.86 -54.03 1.71 Allowed Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -177.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 875' ' ' PRO . . . . . 0.581 ' HD3' ' HB2' ' A' ' 874' ' ' LEU . 32.9 Cg_exo . . . . . 0 N--CA 1.495 1.583 0 C-N-CA 121.721 1.614 . . . . 0.0 111.316 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.445 -0.714 0 CA-C-O 120.766 0.317 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 816' ' ' VAL . . . . . 0.527 HG11 ' HB3' ' A' ' 832' ' ' LEU . 6.4 m -63.65 173.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.339 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . 1.002 ' H ' HD12 ' A' ' 820' ' ' LEU . . . 79.24 -75.85 2.02 Favored Glycine 0 C--O 1.224 -0.486 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 -177.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.69 -51.02 62.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.303 0.573 . . . . 0.0 109.677 177.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 819' ' ' TRP . . . . . 0.957 ' CE3' HG11 ' A' ' 840' ' ' VAL . 67.4 t90 -58.53 -53.49 57.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.6 178.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 820' ' ' LEU . . . . . 1.002 HD12 ' H ' ' A' ' 817' ' ' GLY . 13.5 mt -54.46 -51.31 65.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.515 178.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -56.8 -48.38 78.09 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.829 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 22.3 m -52.85 -48.72 66.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.885 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 823' ' ' ILE . . . . . 0.819 HG21 ' HB1' ' A' ' 870' ' ' ALA . 44.3 pt -73.84 -1.52 2.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.943 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 91.44 28.47 14.55 Favored Glycine 0 CA--C 1.519 0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.134 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . 0.531 HD12 HD11 ' A' ' 823' ' ' ILE . 99.2 mt -123.19 71.17 44.16 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.964 0.382 . . . . 0.0 111.338 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 826' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 827' ' ' GLN . 54.4 Cg_endo -73.19 147.36 42.35 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.167 1.911 . . . . 0.0 110.882 178.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 827' ' ' GLN . . . . . 0.435 ' CB ' ' O ' ' A' ' 826' ' ' PRO . 0.0 OUTLIER 83.31 17.28 0.27 Allowed 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.035 0.445 . . . . 0.0 110.706 -179.107 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 828' ' ' TYR . . . . . 0.756 ' CB ' HD13 ' A' ' 820' ' ' LEU . 9.3 m-85 -104.51 -4.89 22.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.029 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 829' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' A' ' 829' ' ' GLU . 1.8 pm0 -63.88 -73.91 0.11 Allowed 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.303 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -45.0 -34.36 2.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.959 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 831' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -64.15 -57.67 8.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.809 178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 832' ' ' LEU . . . . . 0.527 ' HB3' HG11 ' A' ' 816' ' ' VAL . 5.8 mp -68.81 -35.99 77.68 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.166 178.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 39.7 mtm -60.28 -56.71 18.25 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.149 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -55.99 -44.79 78.91 Favored 'General case' 0 CA--C 1.511 -0.558 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 177.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -64.78 -9.24 18.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.241 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 61.75 35.37 91.15 Favored Glycine 0 C--O 1.235 0.196 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 837' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -107.63 50.22 0.78 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.134 0.492 . . . . 0.0 110.696 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 838' ' ' ASP . . . . . 0.467 ' HA ' HG13 ' A' ' 816' ' ' VAL . 3.7 t0 -77.59 176.21 9.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.026 178.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 839' ' ' ASN . . . . . 0.406 ' N ' ' OD1' ' A' ' 838' ' ' ASP . 7.0 t30 54.24 65.71 1.43 Allowed 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.352 0.596 . . . . 0.0 109.655 -179.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 840' ' ' VAL . . . . . 0.957 HG11 ' CE3' ' A' ' 819' ' ' TRP . 16.5 m -44.93 -28.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.361 -176.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 841' ' ' GLN . . . . . 0.653 ' CD ' ' H ' ' A' ' 841' ' ' GLN . 0.0 OUTLIER -52.23 -41.43 62.76 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.805 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 842' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' A' ' 846' ' ' ASN . 16.3 m-30 -62.27 -49.3 76.21 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.481 177.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 843' ' ' MET . . . . . . . . . . . . . 82.5 mtp -49.21 -56.6 8.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.218 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 844' ' ' GLY . . . . . 0.437 ' CA ' ' HB ' ' A' ' 871' ' ' ILE . . . -56.47 -33.94 62.95 Favored Glycine 0 N--CA 1.458 0.153 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.5 m -89.32 -9.98 48.47 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.517 0.198 . . . . 0.0 111.353 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 846' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 842' ' ' PHE . 7.6 t30 -105.65 -54.71 2.44 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -177.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 3.5 p -152.88 138.37 11.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 C-N-CA 120.541 -0.464 . . . . 0.0 111.391 -177.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 848' ' ' MET . . . . . 0.429 ' HB3' HD11 ' A' ' 871' ' ' ILE . 9.3 ptp -140.06 100.94 4.04 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.843 176.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -179.0 -161.69 0.04 OUTLIER 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.944 0.402 . . . . 0.0 111.239 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 850' ' ' ASP . . . . . 0.522 ' HA ' ' CD ' ' A' ' 864' ' ' ARG . 3.2 m-20 -72.81 -50.86 21.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.165 -178.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -47.36 -37.81 11.84 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.685 -176.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.95 -61.95 2.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.126 0.488 . . . . 0.0 110.526 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.827 HD12 ' HD2' ' A' ' 864' ' ' ARG . 21.1 mt -64.03 -38.27 90.45 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.816 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.71 -47.08 74.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.386 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -53.05 -52.91 57.0 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.968 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 856' ' ' ILE . . . . . 0.415 HG13 ' HA ' ' A' ' 853' ' ' LEU . 0.2 OUTLIER -63.21 -15.55 16.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.194 178.651 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 80.91 31.47 35.39 Favored Glycine 0 C--O 1.237 0.296 0 N-CA-C 111.816 -0.514 . . . . 0.0 111.816 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 858' ' ' ILE . . . . . . . . . . . . . 23.4 mm -75.67 104.87 4.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.143 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 35.7 mt -79.43 -11.16 59.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.016 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 860' ' ' ASN . . . . . 0.507 ' O ' ' CD2' ' A' ' 863' ' ' HIS . 32.3 m120 -51.88 160.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.283 -178.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.13 -52.7 4.44 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.048 0.451 . . . . 0.0 111.71 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 862' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 863' ' ' HIS . . . -76.87 -32.49 49.57 Favored Glycine 0 N--CA 1.467 0.744 0 CA-C-N 116.168 -0.469 . . . . 0.0 113.058 -175.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 863' ' ' HIS . . . . . 0.53 ' CD2' ' H ' ' A' ' 864' ' ' ARG . 1.8 p80 -34.18 -46.76 0.26 Allowed 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 117.045 0.422 . . . . 0.0 111.605 -177.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 864' ' ' ARG . . . . . 0.827 ' HD2' HD12 ' A' ' 853' ' ' LEU . 4.7 mmm180 -51.75 -56.71 12.2 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 120.92 0.39 . . . . 0.0 110.532 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -60.71 -49.46 77.42 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.468 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 866' ' ' ARG . . . . . 0.506 ' HB2' HD11 ' A' ' 825' ' ' LEU . 1.4 mmp_? -58.39 -46.59 86.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.586 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.67 HG13 HD21 ' A' ' 853' ' ' LEU . 8.9 mm -65.14 -48.81 82.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.812 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 868' ' ' LEU . . . . . 0.555 HD23 HH12 ' A' ' 864' ' ' ARG . 0.2 OUTLIER -53.75 -55.57 25.13 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.833 0.349 . . . . 0.0 111.144 -177.864 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 869' ' ' GLN . . . . . 0.445 ' OE1' ' NH2' ' A' ' 866' ' ' ARG . 1.4 pt20 -61.39 -43.28 99.15 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.143 0.497 . . . . 0.0 109.977 179.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 870' ' ' ALA . . . . . 0.819 ' HB1' HG21 ' A' ' 823' ' ' ILE . . . -59.92 -49.79 76.32 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.601 -178.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.437 ' HB ' ' CA ' ' A' ' 844' ' ' GLY . 18.8 pt -67.64 -42.63 86.73 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 C-N-CA 119.887 -0.725 . . . . 0.0 110.702 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -56.19 -30.55 62.42 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -73.73 -4.19 33.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.951 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 874' ' ' LEU . . . . . 0.481 HD13 HG23 ' A' ' 840' ' ' VAL . 58.1 mt -90.74 130.21 41.78 Favored Pre-proline 0 C--N 1.326 -0.437 0 C-N-CA 121.034 -0.267 . . . . 0.0 110.306 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo . . . . . 0 N--CA 1.494 1.539 0 C-N-CA 122.37 2.047 . . . . 0.0 111.338 178.835 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.458 0.171 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 816' ' ' VAL . . . . . 0.57 HG12 ' CG1' ' A' ' 840' ' ' VAL . 17.5 m -62.14 -118.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.924 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . 0.483 ' H ' HG23 ' A' ' 816' ' ' VAL . . . 50.87 -85.55 0.01 OUTLIER Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 818' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 816' ' ' VAL . 19.4 mp0 -52.39 -39.53 60.96 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.857 0.36 . . . . 0.0 110.271 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 819' ' ' TRP . . . . . 0.567 ' CD2' HG11 ' A' ' 840' ' ' VAL . 44.5 t90 -57.94 -50.58 72.9 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 820' ' ' LEU . . . . . 0.716 HD13 ' HB3' ' A' ' 828' ' ' TYR . 13.8 mt -58.25 -43.16 87.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.605 177.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -62.1 -42.44 99.23 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.596 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 6.1 m -57.28 -46.0 83.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.219 178.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 823' ' ' ILE . . . . . 0.465 ' O ' ' NH2' ' A' ' 866' ' ' ARG . 28.6 pt -82.88 12.77 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.099 0.476 . . . . 0.0 110.113 177.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 824' ' ' GLY . . . . . 0.443 ' C ' ' HD3' ' A' ' 826' ' ' PRO . . . 54.55 47.21 71.07 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . 0.604 HD11 ' HB2' ' A' ' 866' ' ' ARG . 13.3 mt -123.34 66.14 32.65 Favored Pre-proline 0 C--N 1.33 -0.27 0 O-C-N 122.673 -0.31 . . . . 0.0 111.573 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 826' ' ' PRO . . . . . 0.443 ' HD3' ' C ' ' A' ' 824' ' ' GLY . 35.6 Cg_exo -56.32 168.59 1.97 Allowed 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.369 2.046 . . . . 0.0 111.319 176.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 827' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 65.08 20.24 11.99 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.592 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 828' ' ' TYR . . . . . 0.716 ' HB3' HD13 ' A' ' 820' ' ' LEU . 0.6 OUTLIER -112.77 -5.33 13.91 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 178.08 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 829' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -71.11 -77.43 0.09 Allowed 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.256 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -46.29 -35.47 5.33 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 831' ' ' HIS . . . . . 0.526 ' HB3' HD12 ' A' ' 856' ' ' ILE . 2.6 m80 -57.68 -57.55 12.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.089 178.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 832' ' ' LEU . . . . . 0.542 ' CD2' HG11 ' A' ' 816' ' ' VAL . 3.2 mp -69.63 -41.71 75.27 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.162 179.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 5.6 tpp -58.25 -55.44 34.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.964 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -57.32 -39.62 76.21 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -73.2 2.08 8.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.097 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 55.16 35.4 59.87 Favored Glycine 0 N--CA 1.452 -0.259 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 837' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.59 102.94 12.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.775 0.322 . . . . 0.0 111.079 -179.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 838' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' A' ' 839' ' ' ASN . 9.4 p-10 -139.02 113.58 9.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.934 177.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 839' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 838' ' ' ASP . 37.2 p30 141.47 59.82 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.148 0.979 . . . . 0.0 109.799 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 840' ' ' VAL . . . . . 0.57 ' CG1' HG12 ' A' ' 816' ' ' VAL . 34.5 m -45.72 -45.91 4.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.252 -178.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 841' ' ' GLN . . . . . 0.443 ' N ' HG23 ' A' ' 840' ' ' VAL . 11.1 tm0? -52.8 -53.0 54.66 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 842' ' ' PHE . . . . . 0.485 ' O ' ' N ' ' A' ' 846' ' ' ASN . 93.2 t80 -61.65 -48.51 80.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.259 177.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 843' ' ' MET . . . . . 0.421 ' SD ' HG21 ' A' ' 871' ' ' ILE . 13.3 ttt -45.52 -55.86 5.75 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.036 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 844' ' ' GLY . . . . . 0.465 ' CA ' ' HB ' ' A' ' 871' ' ' ILE . . . -68.68 -31.22 73.08 Favored Glycine 0 C--N 1.32 -0.329 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 845' ' ' SER . . . . . 0.423 ' OG ' ' NE2' ' A' ' 841' ' ' GLN . 26.6 m -92.03 8.9 35.59 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 846' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 842' ' ' PHE . 19.2 t-20 -129.31 -56.55 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.75 -0.78 . . . . 0.0 112.67 -177.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 11.3 p -154.96 148.27 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.081 -0.647 . . . . 0.0 112.32 -178.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 848' ' ' MET . . . . . 0.444 ' SD ' ' NE2' ' A' ' 872' ' ' GLN . 0.0 OUTLIER -125.98 101.75 6.95 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 173.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -121.44 120.5 35.13 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.054 0.455 . . . . 0.0 112.072 -175.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 850' ' ' ASP . . . . . 0.799 ' HA ' HD12 ' A' ' 853' ' ' LEU . 10.4 t70 -63.65 -35.16 79.63 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 175.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 851' ' ' GLN . . . . . 0.404 ' HG3' ' H ' ' A' ' 851' ' ' GLN . 8.8 mt-30 -53.05 -49.79 65.61 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.799 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -43.68 79.02 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 120.914 0.388 . . . . 0.0 110.016 -179.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.799 HD12 ' HA ' ' A' ' 850' ' ' ASP . 11.6 mt -59.83 -38.36 81.81 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 2.2 mp -72.19 -44.38 63.1 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.585 177.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 855' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 851' ' ' GLN . 1.6 mm-40 -50.74 -52.8 37.02 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.213 178.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 856' ' ' ILE . . . . . 0.526 HD12 ' HB3' ' A' ' 831' ' ' HIS . 6.4 pt -69.16 -18.62 22.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 121.087 0.47 . . . . 0.0 109.919 177.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 96.45 40.84 3.82 Favored Glycine 0 CA--C 1.53 1.023 0 CA-C-N 115.904 -0.589 . . . . 0.0 113.533 175.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 858' ' ' ILE . . . . . 0.541 HG21 ' OH ' ' A' ' 828' ' ' TYR . 44.3 mm -79.35 115.89 22.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 175.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.71 -75.71 0.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -177.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 860' ' ' ASN . . . . . 0.529 HD21 ' CE1' ' A' ' 863' ' ' HIS . 2.0 p-10 -55.0 105.03 0.14 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.857 0.36 . . . . 0.0 110.998 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 861' ' ' SER . . . . . 0.632 ' HA ' ' HE ' ' A' ' 864' ' ' ARG . 43.0 m -45.99 -26.63 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.055 -178.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -53.22 -37.68 55.22 Favored Glycine 0 C--O 1.226 -0.375 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 177.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 863' ' ' HIS . . . . . 0.529 ' CE1' HD21 ' A' ' 860' ' ' ASN . 0.3 OUTLIER -68.66 -36.9 79.17 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 176.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 864' ' ' ARG . . . . . 0.632 ' HE ' ' HA ' ' A' ' 861' ' ' SER . 74.4 mtm180 -68.9 -53.54 20.54 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 177.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -57.26 -50.25 73.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.003 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 866' ' ' ARG . . . . . 0.604 ' HB2' HD11 ' A' ' 825' ' ' LEU . 68.8 mtp85 -58.03 -48.92 78.62 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.429 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.657 HG13 ' CZ ' ' A' ' 828' ' ' TYR . 10.5 mm -57.9 -52.69 54.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.495 -0.482 . . . . 0.0 109.957 178.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.03 -54.08 44.2 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 869' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -58.93 -44.58 91.37 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.483 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 870' ' ' ALA . . . . . 0.404 ' O ' ' HG ' ' A' ' 874' ' ' LEU . . . -58.84 -49.28 78.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.705 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.632 ' HA ' HD12 ' A' ' 874' ' ' LEU . 48.0 pt -67.59 -42.58 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 120.021 -0.672 . . . . 0.0 110.418 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 872' ' ' GLN . . . . . 0.449 ' N ' HG13 ' A' ' 871' ' ' ILE . 69.4 mt-30 -55.88 -38.45 70.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.361 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -78.25 -17.78 56.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.86 -178.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 874' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 871' ' ' ILE . 58.2 mt -55.98 147.9 41.77 Favored Pre-proline 0 N--CA 1.469 0.479 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.069 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo . . . . . 0 C--N 1.312 -1.392 0 C-N-CA 122.533 2.156 . . . . 0.0 111.616 -179.746 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.448 -0.562 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 816' ' ' VAL . . . . . 0.614 HG22 ' CG ' ' A' ' 838' ' ' ASP . 3.1 m -59.58 101.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.434 0.635 . . . . 0.0 110.814 -176.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . -173.57 -91.73 0.08 OUTLIER Glycine 0 CA--C 1.52 0.37 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 -51.31 -29.03 13.68 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 120.987 0.423 . . . . 0.0 110.005 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 819' ' ' TRP . . . . . 0.622 ' CE2' HD11 ' A' ' 874' ' ' LEU . 12.4 t90 -57.98 -54.57 45.42 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.683 178.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 820' ' ' LEU . . . . . 0.448 HD21 ' HB2' ' A' ' 828' ' ' TYR . 5.8 mt -55.03 -38.54 68.09 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.823 177.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -67.33 -46.0 74.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.349 176.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 9.1 m -53.01 -51.24 62.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.053 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 823' ' ' ILE . . . . . 0.693 HD12 HD12 ' A' ' 825' ' ' LEU . 6.2 pt -76.4 -12.5 14.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.092 178.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 66.05 46.27 81.92 Favored Glycine 0 N--CA 1.453 -0.227 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . 0.693 HD12 HD12 ' A' ' 823' ' ' ILE . 28.6 mt -129.69 58.27 36.58 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 120.641 0.258 . . . . 0.0 111.175 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 826' ' ' PRO . . . . . 0.496 ' O ' ' HB3' ' A' ' 827' ' ' GLN . 35.6 Cg_endo -67.46 122.57 9.81 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.044 1.83 . . . . 0.0 111.045 179.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 827' ' ' GLN . . . . . 0.496 ' HB3' ' O ' ' A' ' 826' ' ' PRO . 0.7 OUTLIER 152.24 -16.97 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.497 0.719 . . . . 0.0 110.418 179.466 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 828' ' ' TYR . . . . . 0.456 ' CZ ' ' HG3' ' A' ' 827' ' ' GLN . 38.8 m-85 -105.54 -2.62 23.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.635 -177.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 829' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -45.48 -72.49 0.06 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.032 0.444 . . . . 0.0 110.576 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -36.36 71.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.978 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 831' ' ' HIS . . . . . 0.57 ' NE2' ' O ' ' A' ' 856' ' ' ILE . 2.8 t-160 -53.73 -57.46 10.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.329 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 6.3 mp -62.37 -49.48 75.4 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.75 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 18.8 tpp -54.02 -55.96 22.41 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.548 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -50.06 -40.34 44.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.37 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.514 ' ND2' ' CE1' ' A' ' 837' ' ' PHE . 27.2 t30 -85.39 5.65 29.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.921 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 64.57 17.02 61.78 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 837' ' ' PHE . . . . . 0.514 ' CE1' ' ND2' ' A' ' 835' ' ' ASN . 3.4 m-30 -80.93 58.1 3.29 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.833 0.349 . . . . 0.0 110.436 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 838' ' ' ASP . . . . . 0.614 ' CG ' HG22 ' A' ' 816' ' ' VAL . 6.7 t0 -96.52 175.83 6.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.576 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 839' ' ' ASN . . . . . 0.473 ' ND2' ' CG ' ' A' ' 842' ' ' PHE . 37.3 t30 61.53 62.89 1.25 Allowed 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.551 0.691 . . . . 0.0 109.271 -178.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 840' ' ' VAL . . . . . 0.547 HG11 ' CE3' ' A' ' 819' ' ' TRP . 27.2 m -44.94 -43.74 2.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.951 -176.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 841' ' ' GLN . . . . . 0.421 ' H ' ' CD ' ' A' ' 841' ' ' GLN . 0.2 OUTLIER -52.17 -40.21 61.13 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.755 179.314 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 842' ' ' PHE . . . . . 0.473 ' CG ' ' ND2' ' A' ' 839' ' ' ASN . 3.2 m-30 -67.73 -46.43 72.18 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 843' ' ' MET . . . . . . . . . . . . . 90.3 mtp -48.41 -55.73 10.05 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 844' ' ' GLY . . . . . 0.411 ' HA2' ' HB ' ' A' ' 871' ' ' ILE . . . -59.81 -38.42 93.95 Favored Glycine 0 C--O 1.234 0.152 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 178.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.8 t -78.69 2.23 20.27 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 846' ' ' ASN . . . . . 0.842 ' ND2' HG22 ' A' ' 847' ' ' VAL . 0.0 OUTLIER -100.2 -55.6 2.58 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . 0.842 HG22 ' ND2' ' A' ' 846' ' ' ASN . 31.1 m -153.79 150.91 11.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 848' ' ' MET . . . . . . . . . . . . . 33.6 mtm -123.96 100.87 6.95 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 173.28 -178.59 0.08 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.418 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 850' ' ' ASP . . . . . 0.661 ' HA ' HD12 ' A' ' 853' ' ' LEU . 3.8 p-10 -71.08 -25.22 62.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.641 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 851' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 855' ' ' GLU . 19.6 mt-30 -48.17 -51.71 23.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.185 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 852' ' ' ASP . . . . . 0.431 ' HB2' HG23 ' A' ' 847' ' ' VAL . 3.5 t70 -57.81 -52.57 64.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.404 0.621 . . . . 0.0 109.651 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.854 HD13 ' CG ' ' A' ' 864' ' ' ARG . 6.7 mt -57.86 -33.59 68.83 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.617 177.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 854' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 850' ' ' ASP . 1.0 OUTLIER -70.55 -40.08 73.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.544 177.673 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 855' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 851' ' ' GLN . 24.5 mm-40 -53.4 -53.67 47.86 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 856' ' ' ILE . . . . . 0.57 ' O ' ' NE2' ' A' ' 831' ' ' HIS . 0.0 OUTLIER -64.39 -34.09 67.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 176.663 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 95.7 43.33 3.4 Favored Glycine 0 C--O 1.228 -0.262 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.479 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 858' ' ' ILE . . . . . 0.464 ' O ' ' NH1' ' A' ' 864' ' ' ARG . 12.7 mm -60.18 144.97 12.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 19.8 mt -96.16 -73.26 0.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.91 0.386 . . . . 0.0 111.187 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 860' ' ' ASN . . . . . 0.464 ' OD1' ' ND1' ' A' ' 863' ' ' HIS . 29.3 t-20 -62.99 121.12 12.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.281 -178.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 861' ' ' SER . . . . . 0.428 ' OG ' ' NH2' ' A' ' 864' ' ' ARG . 32.5 m -69.55 -31.96 70.48 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.042 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -55.8 -52.36 49.08 Favored Glycine 0 C--O 1.235 0.192 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 863' ' ' HIS . . . . . 0.464 ' ND1' ' OD1' ' A' ' 860' ' ' ASN . 25.3 m80 -63.22 -43.36 98.31 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 176.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 864' ' ' ARG . . . . . 0.854 ' CG ' HD13 ' A' ' 853' ' ' LEU . 5.4 ttp180 -51.42 -54.46 26.55 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.722 177.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -53.84 -43.27 69.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.272 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 866' ' ' ARG . . . . . 0.67 ' HB3' HD11 ' A' ' 825' ' ' LEU . 16.5 mmm180 -61.59 -46.31 90.41 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.586 HG12 HD13 ' A' ' 825' ' ' LEU . 1.4 mm -63.25 -43.68 98.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 49.4 tp -54.71 -54.93 35.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.603 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 869' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 870' ' ' ALA . 8.8 pt20 -60.55 -38.79 85.62 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.048 179.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 870' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 869' ' ' GLN . . . -59.73 -49.64 76.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.765 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.623 ' HA ' HD12 ' A' ' 874' ' ' LEU . 23.6 pt -65.34 -37.18 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.009 178.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 872' ' ' GLN . . . . . 0.452 ' N ' HG13 ' A' ' 871' ' ' ILE . 91.8 mt-30 -61.85 -37.99 86.57 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 3.4 mp -75.25 -36.43 61.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.98 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 874' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 871' ' ' ILE . 19.5 mt -48.41 142.85 7.91 Favored Pre-proline 0 N--CA 1.469 0.505 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.245 -178.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo . . . . . 0 N--CA 1.496 1.676 0 C-N-CA 122.514 2.142 . . . . 0.0 110.907 178.212 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.653 0.263 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 816' ' ' VAL . . . . . 0.444 ' H ' HG22 ' A' ' 816' ' ' VAL . 0.9 OUTLIER -63.47 106.38 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.768 -178.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . -164.65 -82.73 0.05 OUTLIER Glycine 0 CA--C 1.519 0.339 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -52.08 -35.38 47.53 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 120.856 0.36 . . . . 0.0 110.36 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 39.4 t90 -56.53 -50.51 71.63 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 820' ' ' LEU . . . . . 0.437 HD22 ' HB2' ' A' ' 828' ' ' TYR . 57.6 mt -56.2 -48.53 76.23 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.247 178.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -61.76 -45.19 94.96 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.902 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 16.3 m -57.95 -40.32 80.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.302 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 823' ' ' ILE . . . . . 0.675 HG21 ' HB1' ' A' ' 870' ' ' ALA . 46.0 pt -79.28 3.26 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.054 178.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 76.86 21.71 73.64 Favored Glycine 0 C--N 1.329 0.193 0 N-CA-C 111.581 -0.608 . . . . 0.0 111.581 178.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . 0.498 HD11 ' HB3' ' A' ' 866' ' ' ARG . 43.4 mt -118.98 74.29 13.04 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.786 0.293 . . . . 0.0 110.834 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 826' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -73.98 152.24 46.01 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.01 1.807 . . . . 0.0 111.306 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 827' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 72.01 50.5 0.23 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.394 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 828' ' ' TYR . . . . . 0.437 ' HB2' HD22 ' A' ' 820' ' ' LEU . 23.4 m-85 -133.51 -2.87 3.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.329 177.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 829' ' ' GLU . . . . . 0.421 ' HG2' ' H ' ' A' ' 830' ' ' ASN . 1.0 OUTLIER -53.24 -58.49 6.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.346 179.332 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 830' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 831' ' ' HIS . 34.9 p-10 -48.87 -51.05 31.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.857 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 831' ' ' HIS . . . . . 0.513 ' N ' ' OD1' ' A' ' 830' ' ' ASN . 45.4 m80 -51.26 -58.21 6.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.508 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 832' ' ' LEU . . . . . 0.461 HD23 ' CE ' ' A' ' 843' ' ' MET . 9.7 mp -63.45 -52.02 63.2 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.457 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 32.1 tpp -53.31 -51.0 63.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.378 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -57.44 -45.3 84.87 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.094 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.449 ' ND2' ' HB3' ' A' ' 855' ' ' GLU . 8.1 t-20 -74.28 4.97 4.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.588 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 69.08 14.59 68.55 Favored Glycine 0 CA--C 1.518 0.28 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 837' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.76 70.15 1.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.95 0.405 . . . . 0.0 110.088 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.27 158.37 15.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.973 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 839' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 63.38 83.67 0.16 Allowed 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.08 0.467 . . . . 0.0 110.117 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 840' ' ' VAL . . . . . 0.594 ' HA ' ' SD ' ' A' ' 843' ' ' MET . 27.4 m -47.64 -42.49 8.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.967 -179.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 841' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -55.08 -51.93 64.81 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 842' ' ' PHE . . . . . 0.595 ' O ' ' N ' ' A' ' 846' ' ' ASN . 1.7 m-85 -61.84 -54.63 39.52 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.56 178.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 843' ' ' MET . . . . . 0.594 ' SD ' ' HA ' ' A' ' 840' ' ' VAL . 8.0 mtp -46.63 -55.65 7.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.015 0.436 . . . . 0.0 110.243 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 844' ' ' GLY . . . . . 0.575 ' HA2' HG23 ' A' ' 871' ' ' ILE . . . -62.99 -19.69 61.56 Favored Glycine 0 CA--C 1.517 0.19 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 19.2 m -99.55 -22.54 15.42 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.86 -0.2 . . . . 0.0 111.49 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 846' ' ' ASN . . . . . 0.595 ' N ' ' O ' ' A' ' 842' ' ' PHE . 17.3 t30 -88.75 -57.12 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -176.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 12.3 p -155.16 131.85 2.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.701 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 848' ' ' MET . . . . . 0.635 ' SD ' ' N ' ' A' ' 848' ' ' MET . 0.0 OUTLIER -140.69 102.55 4.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.645 177.786 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -170.41 -171.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.255 0.55 . . . . 0.0 111.897 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 850' ' ' ASP . . . . . 0.521 ' CG ' HH22 ' A' ' 864' ' ' ARG . 0.1 OUTLIER -60.5 -49.06 79.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.706 -177.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -47.52 -47.43 27.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.38 -176.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.32 -55.86 29.52 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.329 0.585 . . . . 0.0 109.979 179.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.898 HD13 ' HB3' ' A' ' 864' ' ' ARG . 9.7 mt -56.89 -35.02 68.48 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.431 178.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 4.0 mp -64.69 -47.72 77.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.732 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 855' ' ' GLU . . . . . 0.449 ' HB3' ' ND2' ' A' ' 835' ' ' ASN . 23.0 mt-10 -47.75 -48.98 29.66 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.268 178.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 856' ' ' ILE . . . . . 0.491 HG21 ' HB3' ' A' ' 831' ' ' HIS . 0.0 OUTLIER -86.23 2.92 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.818 178.417 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 53.73 43.24 69.33 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 858' ' ' ILE . . . . . 0.42 ' HB ' ' HG2' ' A' ' 864' ' ' ARG . 13.2 mm -63.69 85.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.907 0.384 . . . . 0.0 110.425 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . 0.48 ' H ' HD12 ' A' ' 859' ' ' LEU . 1.5 mp -55.91 -40.24 72.79 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.165 -179.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 860' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.42 85.91 0.11 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.166 -178.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 861' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 864' ' ' ARG . 0.7 OUTLIER -46.74 -42.14 16.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.631 179.35 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -56.8 -52.01 53.45 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 863' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -57.72 -41.01 80.88 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 864' ' ' ARG . . . . . 0.898 ' HB3' HD13 ' A' ' 853' ' ' LEU . 0.8 OUTLIER -52.1 -56.39 14.76 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.397 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.99 -41.97 93.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.886 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 866' ' ' ARG . . . . . 0.498 ' HB3' HD11 ' A' ' 825' ' ' LEU . 9.5 tpt180 -58.06 -50.54 73.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.833 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.483 HG12 ' CD1' ' A' ' 825' ' ' LEU . 3.8 mm -59.29 -45.7 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 868' ' ' LEU . . . . . 0.566 HD11 HD11 ' A' ' 853' ' ' LEU . 33.7 mt -57.08 -55.44 34.73 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.783 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 869' ' ' GLN . . . . . 0.544 ' HG3' ' N ' ' A' ' 870' ' ' ALA . 3.9 pt20 -60.68 -42.24 96.7 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.271 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 870' ' ' ALA . . . . . 0.675 ' HB1' HG21 ' A' ' 823' ' ' ILE . . . -59.16 -48.81 80.26 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.575 HG23 ' HA2' ' A' ' 844' ' ' GLY . 0.1 OUTLIER -61.86 -47.09 94.86 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.819 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 872' ' ' GLN . . . . . 0.437 ' N ' HG22 ' A' ' 871' ' ' ILE . 5.5 mm-40 -59.58 -22.31 61.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.264 178.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.85 -4.5 59.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.074 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 874' ' ' LEU . . . . . 0.546 ' HB2' ' HD3' ' A' ' 875' ' ' PRO . 80.0 mt -75.55 -49.34 3.76 Favored Pre-proline 0 C--N 1.328 -0.347 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.395 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 875' ' ' PRO . . . . . 0.546 ' HD3' ' HB2' ' A' ' 874' ' ' LEU . 77.5 Cg_exo . . . . . 0 N--CA 1.494 1.528 0 C-N-CA 122.352 2.035 . . . . 0.0 111.758 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.701 0 CA-C-O 120.791 0.329 . . . . 0.0 110.478 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 816' ' ' VAL . . . . . 0.599 HG21 ' HG3' ' A' ' 833' ' ' MET . 12.8 m -63.07 84.58 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-O 121.399 0.618 . . . . 0.0 110.124 -179.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 177.56 -67.41 0.08 OUTLIER Glycine 0 C--N 1.312 -0.792 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -51.23 -46.04 62.15 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 176.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 819' ' ' TRP . . . . . 0.49 ' CE3' HG11 ' A' ' 840' ' ' VAL . 42.0 t90 -56.85 -53.97 51.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.57 178.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 820' ' ' LEU . . . . . . . . . . . . . 56.5 mt -53.57 -46.26 70.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.046 178.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.437 ' HG2' ' HB3' ' A' ' 826' ' ' PRO . 1.9 mt-10 -60.54 -49.68 76.55 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 7.1 m -52.5 -45.33 66.15 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.721 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 823' ' ' ILE . . . . . 0.498 ' O ' ' HD3' ' A' ' 866' ' ' ARG . 21.6 pt -83.29 6.79 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 120.957 0.408 . . . . 0.0 110.747 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 65.02 38.04 94.96 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.761 -0.535 . . . . 0.0 111.761 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 825' ' ' LEU . . . . . 0.597 ' N ' ' CD ' ' A' ' 826' ' ' PRO . 77.1 mt -131.2 41.0 0.66 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.62 0.21 . . . . 0.0 110.848 178.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 826' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 825' ' ' LEU . 48.1 Cg_endo -70.03 122.66 9.26 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 122.06 1.84 . . . . 0.0 111.097 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 827' ' ' GLN . . . . . 0.489 ' HB3' ' O ' ' A' ' 826' ' ' PRO . 1.8 pt20 151.58 -13.28 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.678 0.791 . . . . 0.0 109.706 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 828' ' ' TYR . . . . . 0.562 ' CE1' HD12 ' A' ' 858' ' ' ILE . 60.3 m-85 -103.69 -2.12 27.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.104 -177.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 829' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.93 -77.34 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.033 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -55.63 -38.05 69.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.886 178.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 831' ' ' HIS . . . . . 0.578 ' NE2' ' O ' ' A' ' 856' ' ' ILE . 1.6 t-160 -49.89 -52.71 30.83 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.151 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 2.2 mp -59.25 -52.17 66.82 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 833' ' ' MET . . . . . 0.599 ' HG3' HG21 ' A' ' 816' ' ' VAL . 7.5 mtp -52.22 -54.73 27.33 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.919 178.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -49.18 -51.34 33.26 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.335 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.432 ' CB ' HG23 ' A' ' 856' ' ' ILE . 4.5 t30 -70.13 -3.67 17.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.964 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 77.45 26.89 60.4 Favored Glycine 0 C--O 1.236 0.256 0 N-CA-C 110.529 -1.029 . . . . 0.0 110.529 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 837' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -98.14 83.3 3.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.814 0.34 . . . . 0.0 110.185 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 838' ' ' ASP . . . . . 0.47 ' CG ' ' N ' ' A' ' 839' ' ' ASN . 16.3 t70 -102.66 168.44 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.735 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 839' ' ' ASN . . . . . 0.47 ' N ' ' CG ' ' A' ' 838' ' ' ASP . 55.9 t-20 52.37 81.38 0.08 Allowed 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.333 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 840' ' ' VAL . . . . . 0.49 HG11 ' CE3' ' A' ' 819' ' ' TRP . 27.5 m -53.57 -42.28 49.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.672 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 841' ' ' GLN . . . . . 0.449 HE21 ' C ' ' A' ' 875' ' ' PRO . 0.6 OUTLIER -59.55 -48.42 81.74 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 178.681 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 842' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 846' ' ' ASN . 89.2 t80 -60.94 -48.19 82.95 Favored 'General case' 0 CA--C 1.505 -0.768 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 843' ' ' MET . . . . . . . . . . . . . 38.9 mtp -46.1 -56.32 5.79 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 844' ' ' GLY . . . . . 0.486 ' CA ' ' HB ' ' A' ' 871' ' ' ILE . . . -57.58 -35.66 74.27 Favored Glycine 0 C--O 1.226 -0.355 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 178.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.6 m -92.78 13.62 19.72 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.647 0.26 . . . . 0.0 110.794 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 846' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 842' ' ' PHE . 12.8 t-20 -129.67 -52.32 1.16 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.458 -177.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 6.1 p -152.27 130.29 2.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.912 0.387 . . . . 0.0 110.683 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 848' ' ' MET . . . . . 0.651 ' SD ' ' HG2' ' A' ' 872' ' ' GLN . 9.2 mtm -139.22 101.8 4.35 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 849' ' ' GLU . . . . . 0.569 ' HA ' HD21 ' A' ' 868' ' ' LEU . 2.5 pt-20 -172.49 157.39 3.96 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.236 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 850' ' ' ASP . . . . . 0.422 ' CG ' HH21 ' A' ' 864' ' ' ARG . 0.9 OUTLIER -46.29 -38.92 9.26 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.12 179.538 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -50.88 -31.02 16.14 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.99 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 852' ' ' ASP . . . . . 0.556 ' OD2' HD12 ' A' ' 853' ' ' LEU . 0.0 OUTLIER -70.6 -61.72 1.66 Allowed 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.563 -179.503 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.799 HD23 ' HB ' ' A' ' 858' ' ' ILE . 0.4 OUTLIER -56.79 -36.52 69.97 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.722 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 854' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 854' ' ' LEU . 2.1 mm? -60.87 -41.89 96.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.543 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.14 -59.22 5.24 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.753 178.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 856' ' ' ILE . . . . . 0.578 ' O ' ' NE2' ' A' ' 831' ' ' HIS . 0.0 OUTLIER -58.77 -29.87 41.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 177.852 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 96.93 35.4 5.35 Favored Glycine 0 CA--C 1.517 0.202 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 858' ' ' ILE . . . . . 0.799 ' HB ' HD23 ' A' ' 853' ' ' LEU . 2.4 mm -97.46 85.83 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 178.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 10.5 mt -76.07 -24.86 55.12 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.972 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 860' ' ' ASN . . . . . 0.485 ' HB3' ' CG ' ' A' ' 863' ' ' HIS . 1.0 OUTLIER -43.22 101.27 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.675 -179.279 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.59 -52.29 10.81 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.384 -178.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -57.59 -42.42 94.1 Favored Glycine 0 C--N 1.322 -0.214 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 863' ' ' HIS . . . . . 0.485 ' CG ' ' HB3' ' A' ' 860' ' ' ASN . 29.4 m170 -69.25 -42.15 76.01 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 864' ' ' ARG . . . . . 0.777 ' HD2' HD13 ' A' ' 853' ' ' LEU . 1.5 mmm180 -52.52 -56.59 14.14 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.752 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -64.73 -45.29 87.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.936 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 866' ' ' ARG . . . . . 0.578 ' HD2' HD11 ' A' ' 825' ' ' LEU . 19.3 ttm180 -58.53 -55.18 38.36 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.639 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 867' ' ' ILE . . . . . 0.647 HG13 HD21 ' A' ' 853' ' ' LEU . 5.3 mm -53.63 -54.01 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.165 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 868' ' ' LEU . . . . . 0.569 HD21 ' HA ' ' A' ' 849' ' ' GLU . 0.4 OUTLIER -54.41 -54.84 35.35 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.102 0.477 . . . . 0.0 110.039 178.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 869' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -57.67 -43.55 85.09 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.007 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 870' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 866' ' ' ARG . . . -60.06 -49.84 76.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.037 -178.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 871' ' ' ILE . . . . . 0.486 ' HB ' ' CA ' ' A' ' 844' ' ' GLY . 41.0 pt -66.5 -37.66 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.852 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 872' ' ' GLN . . . . . 0.651 ' HG2' ' SD ' ' A' ' 848' ' ' MET . 1.1 mt-30 -59.19 -31.82 69.36 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.05 178.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 873' ' ' LEU . . . . . 0.406 ' HA ' HD22 ' A' ' 873' ' ' LEU . 1.7 mm? -80.71 -20.84 41.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.259 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 874' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 841' ' ' GLN . 95.0 mt -62.98 147.02 95.03 Favored Pre-proline 0 C--N 1.327 -0.372 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.097 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 875' ' ' PRO . . . . . 0.449 ' C ' HE21 ' A' ' 841' ' ' GLN . 60.9 Cg_endo . . . . . 0 C--N 1.309 -1.553 0 C-N-CA 122.415 2.077 . . . . 0.0 110.994 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 814' ' ' GLN . . . . . . . . . . . . . 7.1 pm0 . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.62 165.41 23.7 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.949 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 816' ' ' VAL . . . . . 0.841 HG11 HD22 ' A' ' 832' ' ' LEU . 2.3 t -61.87 117.47 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.885 0.374 . . . . 0.0 110.366 -177.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 174.47 -75.64 0.08 OUTLIER Glycine 0 CA--C 1.519 0.29 0 N-CA-C 110.347 -1.101 . . . . 0.0 110.347 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 818' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 822' ' ' SER . 1.5 mt-30 -51.12 -35.75 37.07 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 819' ' ' TRP . . . . . 0.43 ' HZ2' ' N ' ' A' ' 871' ' ' ILE . 30.0 t90 -55.52 -51.08 68.24 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.603 178.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 820' ' ' LEU . . . . . . . . . . . . . 27.4 mt -66.28 -41.55 89.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.126 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -64.96 -39.3 93.28 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.78 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 822' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 818' ' ' GLN . 50.4 m -55.0 -50.9 67.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.829 178.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 823' ' ' ILE . . . . . 0.787 HG21 ' HB2' ' A' ' 870' ' ' ALA . 17.5 pt -75.5 1.67 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.884 177.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 824' ' ' GLY . . . . . 0.402 ' C ' ' HD3' ' A' ' 826' ' ' PRO . . . 61.69 43.59 99.06 Favored Glycine 0 CA--C 1.516 0.114 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . 0.508 HD21 ' CZ ' ' A' ' 866' ' ' ARG . 96.0 mt -130.27 62.69 65.86 Favored Pre-proline 0 C--O 1.235 0.326 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.424 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 826' ' ' PRO . . . . . 0.448 ' HD3' ' N ' ' A' ' 825' ' ' LEU . 27.6 Cg_exo -60.5 168.48 6.57 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 122.407 2.072 . . . . 0.0 111.387 178.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 827' ' ' GLN . . . . . 0.452 ' O ' ' ND1' ' A' ' 831' ' ' HIS . 62.2 mt-30 79.44 3.3 2.24 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.228 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 828' ' ' TYR . . . . . 0.411 ' HA ' ' HB2' ' A' ' 831' ' ' HIS . 9.0 m-30 -104.06 -3.89 23.97 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.11 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 829' ' ' GLU . . . . . 0.657 ' CD ' ' H ' ' A' ' 829' ' ' GLU . 0.0 OUTLIER -70.25 -55.19 9.87 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.004 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 830' ' ' ASN . . . . . 0.476 ' H ' ' CD ' ' A' ' 829' ' ' GLU . 11.0 m-80 -54.96 -41.47 71.17 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 831' ' ' HIS . . . . . 0.452 ' ND1' ' O ' ' A' ' 827' ' ' GLN . 20.8 m80 -55.57 -54.07 48.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.936 178.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . 0.841 HD22 HG11 ' A' ' 816' ' ' VAL . 1.5 mp -55.76 -50.91 69.14 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 833' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 829' ' ' GLU . 30.9 mmt -55.42 -48.06 74.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.096 178.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -55.46 -34.43 64.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.256 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.436 ' O ' ' ND2' ' A' ' 835' ' ' ASN . 0.1 OUTLIER -88.23 6.55 36.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.12 178.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 65.29 23.82 70.23 Favored Glycine 0 N--CA 1.454 -0.107 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 837' ' ' PHE . . . . . 0.409 ' CE1' HG11 ' A' ' 847' ' ' VAL . 1.4 m-85 -89.14 128.58 35.79 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -144.91 169.2 18.52 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.978 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 839' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 56.15 76.43 0.29 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.235 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 840' ' ' VAL . . . . . 0.792 ' CG1' HG13 ' A' ' 816' ' ' VAL . 34.2 m -45.83 -39.18 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.658 -179.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 841' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 875' ' ' PRO . 54.0 tp60 -58.32 -58.9 6.46 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.179 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 842' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -50.27 -47.86 55.1 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 843' ' ' MET . . . . . 0.445 ' HA ' HG12 ' A' ' 847' ' ' VAL . 88.8 mtp -54.64 -56.59 17.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.195 178.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 844' ' ' GLY . . . . . 0.596 ' HA2' ' HB ' ' A' ' 871' ' ' ILE . . . -62.47 -14.3 48.47 Favored Glycine 0 CA--C 1.511 -0.159 0 N-CA-C 111.574 -0.61 . . . . 0.0 111.574 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.19 1.68 20.46 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.755 0.312 . . . . 0.0 110.338 179.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 846' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -131.59 -54.22 1.01 Allowed 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . 0.445 HG12 ' HA ' ' A' ' 843' ' ' MET . 1.2 p -108.26 119.23 57.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.092 0.472 . . . . 0.0 111.754 -177.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 848' ' ' MET . . . . . . . . . . . . . 11.6 mtt -139.48 101.55 4.26 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 176.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -167.18 154.8 9.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.562 -178.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 850' ' ' ASP . . . . . 0.427 ' OD1' ' NE ' ' A' ' 864' ' ' ARG . 35.6 t70 -71.51 -48.67 47.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.143 177.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -39.08 47.6 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.748 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . 0.499 ' O ' ' HB2' ' A' ' 855' ' ' GLU . 0.6 OUTLIER -60.27 -41.56 93.55 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.212 179.798 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 29.7 mt -57.89 -42.2 84.18 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 176.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 854' ' ' LEU . . . . . 0.428 ' HA ' HD22 ' A' ' 854' ' ' LEU . 0.2 OUTLIER -64.83 -41.28 95.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.337 176.502 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 855' ' ' GLU . . . . . 0.499 ' HB2' ' O ' ' A' ' 852' ' ' ASP . 11.3 mm-40 -51.82 -50.77 60.18 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.988 178.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 856' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 852' ' ' ASP . 0.1 OUTLIER -67.97 -13.58 17.14 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 179.208 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 95.73 17.25 36.38 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.665 -0.574 . . . . 0.0 111.665 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 858' ' ' ILE . . . . . . . . . . . . . 8.9 mm -74.66 98.14 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.96 -74.0 0.26 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.84 0.352 . . . . 0.0 111.353 -177.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 860' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -38.4 110.81 0.14 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.251 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 861' ' ' SER . . . . . 0.588 ' HA ' ' NH1' ' A' ' 864' ' ' ARG . 37.4 m -54.84 -38.08 66.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.701 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -54.46 -47.49 69.19 Favored Glycine 0 N--CA 1.451 -0.327 0 N-CA-C 108.939 -1.665 . . . . 0.0 108.939 176.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 863' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -62.75 -49.03 76.64 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 864' ' ' ARG . . . . . 0.588 ' NH1' ' HA ' ' A' ' 861' ' ' SER . 19.8 mtm-85 -52.23 -52.12 54.27 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -56.82 -47.48 80.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.984 178.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 866' ' ' ARG . . . . . 0.508 ' CZ ' HD21 ' A' ' 825' ' ' LEU . 51.1 mtp180 -58.48 -48.22 81.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.043 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.449 ' O ' ' HB3' ' A' ' 870' ' ' ALA . 5.8 mm -59.68 -44.83 94.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 868' ' ' LEU . 12.4 tp -56.53 -47.01 80.29 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 869' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -66.72 -34.45 77.88 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.606 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 870' ' ' ALA . . . . . 0.787 ' HB2' HG21 ' A' ' 823' ' ' ILE . . . -59.06 -47.87 83.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.524 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.596 ' HB ' ' HA2' ' A' ' 844' ' ' GLY . 21.7 pt -67.66 -37.92 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 C-N-CA 119.8 -0.76 . . . . 0.0 109.631 178.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -59.85 -32.4 70.65 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.796 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.86 -29.37 69.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.086 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 874' ' ' LEU . . . . . . . . . . . . . 61.8 mt -71.28 125.61 91.88 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.47 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 875' ' ' PRO . . . . . 0.49 ' O ' ' NE2' ' A' ' 841' ' ' GLN . 88.7 Cg_exo -42.92 145.57 1.1 Allowed 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 122.846 2.364 . . . . 0.0 112.099 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 876' ' ' LYS . . . . . . . . . . . . . 54.0 mttm . . . . . 0 C--O 1.212 -0.904 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.749 179.212 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 814' ' ' GLN . . . . . 0.481 ' OE1' ' N ' ' A' ' 814' ' ' GLN . 9.4 pm0 . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 815' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 817' ' ' GLY . 0.2 OUTLIER -78.75 162.25 26.27 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.135 0.493 . . . . 0.0 110.935 -178.522 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 816' ' ' VAL . . . . . 0.409 ' O ' ' HB3' ' A' ' 829' ' ' GLU . 2.8 m -63.83 72.71 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.377 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 815' ' ' THR . . . -157.85 -78.03 0.02 OUTLIER Glycine 0 C--N 1.315 -0.588 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 818' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 822' ' ' SER . 0.0 OUTLIER -51.45 -43.17 62.0 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.305 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 819' ' ' TRP . . . . . 0.482 ' CE3' HD11 ' A' ' 823' ' ' ILE . 57.3 t90 -52.86 -57.03 11.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.45 176.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 820' ' ' LEU . . . . . 0.538 HD13 ' HB2' ' A' ' 828' ' ' TYR . 28.0 mt -54.75 -50.56 68.12 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.963 177.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.2 -30.39 64.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.092 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 822' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 818' ' ' GLN . 7.3 m -69.37 -51.03 40.64 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.999 177.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 823' ' ' ILE . . . . . 0.624 ' HB ' HD11 ' A' ' 825' ' ' LEU . 0.0 OUTLIER -60.66 -34.75 59.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.567 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 824' ' ' GLY . . . . . 0.645 ' C ' HD13 ' A' ' 825' ' ' LEU . . . 110.73 31.81 2.85 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.654 176.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . 0.71 ' N ' HD13 ' A' ' 825' ' ' LEU . 0.0 OUTLIER -145.6 86.06 7.54 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 117.437 0.619 . . . . 0.0 112.345 177.667 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 826' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -66.98 168.91 16.02 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.298 1.999 . . . . 0.0 110.662 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 827' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 71.37 27.14 3.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.179 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 828' ' ' TYR . . . . . 0.61 ' CE2' HD12 ' A' ' 858' ' ' ILE . 1.4 m-85 -104.39 -4.81 22.37 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 176.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 829' ' ' GLU . . . . . 0.409 ' HB3' ' O ' ' A' ' 816' ' ' VAL . 0.0 OUTLIER -66.77 -66.23 0.58 Allowed 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.906 179.671 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 830' ' ' ASN . . . . . 0.468 ' OD1' ' ND1' ' A' ' 831' ' ' HIS . 29.0 p-10 -45.56 -39.59 7.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.992 178.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 831' ' ' HIS . . . . . 0.468 ' ND1' ' OD1' ' A' ' 830' ' ' ASN . 70.3 m80 -63.59 -58.7 6.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.259 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . 0.416 HD21 ' SD ' ' A' ' 843' ' ' MET . 6.1 mp -59.44 -45.37 91.78 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.941 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 32.4 mmt -57.23 -55.03 40.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.348 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -50.73 -52.27 41.99 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.511 ' HB2' HG23 ' A' ' 856' ' ' ILE . 55.2 t30 -62.54 -18.61 62.37 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.377 177.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 82.18 28.09 42.18 Favored Glycine 0 C--N 1.323 -0.179 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 837' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -96.84 82.53 3.28 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.964 0.411 . . . . 0.0 110.306 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . 0.403 ' CG ' ' N ' ' A' ' 839' ' ' ASN . 21.3 t70 -92.94 165.65 12.77 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.485 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 839' ' ' ASN . . . . . 0.403 ' N ' ' CG ' ' A' ' 838' ' ' ASP . 30.0 t-20 55.78 86.17 0.06 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.067 179.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 840' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 841' ' ' GLN . 31.3 m -45.85 -47.56 5.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.652 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 841' ' ' GLN . . . . . 0.469 ' N ' HG23 ' A' ' 840' ' ' VAL . 11.0 mm-40 -51.82 -54.54 27.7 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 842' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 846' ' ' ASN . 10.9 t80 -57.06 -49.36 76.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.641 178.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 843' ' ' MET . . . . . 0.416 ' SD ' HD21 ' A' ' 832' ' ' LEU . 6.2 ttt -46.75 -56.65 5.86 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.365 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 844' ' ' GLY . . . . . 0.519 ' CA ' ' HB ' ' A' ' 871' ' ' ILE . . . -63.7 -33.12 86.37 Favored Glycine 0 N--CA 1.459 0.223 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.4 m -88.91 8.34 29.83 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.675 0.274 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 846' ' ' ASN . . . . . 0.541 HD22 ' C ' ' A' ' 846' ' ' ASN . 0.3 OUTLIER -130.33 -52.54 1.1 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -178.668 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 1.4 p -150.63 129.78 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.158 -0.617 . . . . 0.0 112.051 -176.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 848' ' ' MET . . . . . 0.402 ' HB3' ' CD1' ' A' ' 871' ' ' ILE . 0.0 OUTLIER -140.49 102.44 4.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.271 -0.877 . . . . 0.0 108.652 176.628 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.99 162.48 38.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.117 0.484 . . . . 0.0 111.826 -177.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 850' ' ' ASP . . . . . 0.5 ' CG ' HH22 ' A' ' 864' ' ' ARG . 4.5 t70 -70.72 -36.2 73.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.574 175.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -50.76 -40.27 54.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.033 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -60.57 -56.93 15.42 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.667 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.669 HD13 ' HB3' ' A' ' 864' ' ' ARG . 16.4 mt -55.29 -39.08 69.45 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 179.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.7 -48.57 74.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.563 176.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -49.23 -48.63 45.39 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.861 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 856' ' ' ILE . . . . . 0.511 HG23 ' HB2' ' A' ' 835' ' ' ASN . 0.0 OUTLIER -82.98 6.22 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.57 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 56.99 41.02 92.12 Favored Glycine 0 C--N 1.32 -0.358 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 858' ' ' ILE . . . . . 0.61 HD12 ' CE2' ' A' ' 828' ' ' TYR . 33.4 mm -67.14 133.15 31.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . 0.453 ' HA ' HD23 ' A' ' 859' ' ' LEU . 31.4 mt -96.49 -74.42 0.56 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.844 -178.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 860' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -41.75 103.11 0.03 OUTLIER 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.97 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.95 -37.78 72.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.493 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -57.92 -52.06 54.49 Favored Glycine 0 CA--C 1.508 -0.37 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 863' ' ' HIS . . . . . 0.579 ' CG ' ' HB3' ' A' ' 825' ' ' LEU . 2.6 m-70 -60.76 -39.71 89.77 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 177.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 864' ' ' ARG . . . . . 0.669 ' HB3' HD13 ' A' ' 853' ' ' LEU . 0.3 OUTLIER -55.28 -57.72 10.65 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.41 179.358 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -65.25 -36.12 83.14 Favored 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.437 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 866' ' ' ARG . . . . . 0.589 ' NH1' ' O ' ' A' ' 823' ' ' ILE . 0.3 OUTLIER -57.61 -54.27 48.78 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 177.269 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . . . . . . . . . 4.1 mm -57.03 -53.3 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.273 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 7.1 tp -53.88 -53.06 57.87 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.688 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 869' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -66.14 -40.42 90.58 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.187 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 870' ' ' ALA . . . . . 0.454 ' CB ' HD13 ' A' ' 823' ' ' ILE . . . -59.67 -49.92 75.86 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.519 ' HB ' ' CA ' ' A' ' 844' ' ' GLY . 40.0 pt -61.12 -40.68 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 C-N-CA 119.57 -0.852 . . . . 0.0 109.368 178.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 872' ' ' GLN . . . . . 0.551 ' O ' ' NZ ' ' A' ' 876' ' ' LYS . 8.2 mm100 -64.85 -18.57 65.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.964 176.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' A' ' 873' ' ' LEU . 0.2 OUTLIER -90.04 -0.85 57.81 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.603 179.2 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 874' ' ' LEU . . . . . 0.511 ' HB2' ' HD3' ' A' ' 875' ' ' PRO . 97.2 mt -84.72 -52.32 0.52 Allowed Pre-proline 0 C--N 1.325 -0.497 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.546 -179.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 875' ' ' PRO . . . . . 0.511 ' HD3' ' HB2' ' A' ' 874' ' ' LEU . 74.3 Cg_endo -76.25 -8.63 18.73 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.321 2.014 . . . . 0.0 112.713 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 876' ' ' LYS . . . . . 0.551 ' NZ ' ' O ' ' A' ' 872' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.207 -1.184 0 CA-C-O 118.333 -0.841 . . . . 0.0 110.534 -178.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 814' ' ' GLN . . . . . 0.535 ' N ' ' OE1' ' A' ' 818' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 815' ' ' THR . . . . . 0.523 ' O ' ' N ' ' A' ' 817' ' ' GLY . 62.5 p -78.3 165.92 23.3 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.768 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 816' ' ' VAL . . . . . 0.427 HG22 ' H ' ' A' ' 816' ' ' VAL . 4.4 m -63.05 72.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.247 0.546 . . . . 0.0 110.276 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 815' ' ' THR . . . -158.17 -81.61 0.04 OUTLIER Glycine 0 C--N 1.319 -0.413 0 N-CA-C 110.375 -1.09 . . . . 0.0 110.375 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 818' ' ' GLN . . . . . 0.535 ' OE1' ' N ' ' A' ' 814' ' ' GLN . 0.0 OUTLIER -51.92 -43.72 63.53 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.28 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 819' ' ' TRP . . . . . 0.45 ' CH2' HG23 ' A' ' 871' ' ' ILE . 36.8 t90 -49.95 -55.89 12.76 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.829 177.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 820' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 829' ' ' GLU . 16.6 mt -54.93 -46.03 74.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.708 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -59.43 -43.05 93.17 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 1.6 m -52.94 -37.59 61.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.212 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 823' ' ' ILE . . . . . 0.641 ' CD1' HD12 ' A' ' 825' ' ' LEU . 12.2 pt -95.31 13.09 3.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.074 0.464 . . . . 0.0 110.423 177.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 58.63 41.94 95.92 Favored Glycine 0 N--CA 1.46 0.245 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.863 177.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . 0.641 HD12 ' CD1' ' A' ' 823' ' ' ILE . 15.7 mt -119.36 70.1 11.59 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 121.248 0.547 . . . . 0.0 110.885 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 826' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.96 165.25 32.95 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.844 2.363 . . . . 0.0 111.856 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 827' ' ' GLN . . . . . 0.442 ' O ' ' ND1' ' A' ' 831' ' ' HIS . 50.5 mt-30 69.12 -3.86 1.41 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.556 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 828' ' ' TYR . . . . . . . . . . . . . 17.2 m-30 -102.72 -3.14 26.92 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.57 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 829' ' ' GLU . . . . . 0.601 ' CD ' ' H ' ' A' ' 829' ' ' GLU . 0.1 OUTLIER -71.75 -49.52 38.39 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.627 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 830' ' ' ASN . . . . . 0.453 ' N ' ' HG2' ' A' ' 829' ' ' GLU . 15.6 m-80 -59.96 -34.65 73.55 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.358 176.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 831' ' ' HIS . . . . . 0.442 ' ND1' ' O ' ' A' ' 827' ' ' GLN . 16.5 m80 -57.09 -57.84 10.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.751 178.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . 0.587 HD22 ' SD ' ' A' ' 843' ' ' MET . 4.9 mt -64.59 -43.38 94.03 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.144 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -52.34 65.47 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 177.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -58.75 -42.8 89.69 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -67.78 -1.48 5.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.941 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 58.73 26.72 60.61 Favored Glycine 0 N--CA 1.451 -0.34 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 837' ' ' PHE . . . . . 0.424 ' CE1' ' HG2' ' A' ' 843' ' ' MET . 0.1 OUTLIER -105.16 97.91 7.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.677 0.275 . . . . 0.0 110.46 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -109.89 176.56 5.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.135 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 839' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 70.03 80.63 0.17 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.571 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 840' ' ' VAL . . . . . 0.422 ' CG1' ' CE3' ' A' ' 819' ' ' TRP . 29.0 m -52.54 -35.62 20.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.828 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 841' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -62.31 -57.34 11.72 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 842' ' ' PHE . . . . . 0.44 ' CD2' ' ND2' ' A' ' 846' ' ' ASN . 6.7 t80 -54.36 -45.42 72.76 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.442 178.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 843' ' ' MET . . . . . 0.587 ' SD ' HD22 ' A' ' 832' ' ' LEU . 10.6 mtp -55.43 -57.04 13.52 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.553 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 844' ' ' GLY . . . . . . . . . . . . . . . -57.29 -32.01 63.21 Favored Glycine 0 CA--C 1.507 -0.408 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.09 22.29 8.69 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 120.655 0.264 . . . . 0.0 111.187 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 846' ' ' ASN . . . . . 0.44 ' ND2' ' CD2' ' A' ' 842' ' ' PHE . 4.4 m-80 -129.85 -55.72 1.13 Allowed 'General case' 0 CA--C 1.507 -0.675 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.671 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 847' ' ' VAL . 14.9 p -154.5 127.05 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 C-N-CA 120.556 -0.457 . . . . 0.0 111.354 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 848' ' ' MET . . . . . 0.61 ' HB3' HD12 ' A' ' 871' ' ' ILE . 5.3 ptp -141.0 101.45 4.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.243 176.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 849' ' ' GLU . . . . . 0.465 ' N ' ' OD2' ' A' ' 852' ' ' ASP . 12.2 mt-10 -158.28 -172.35 3.84 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.103 0.478 . . . . 0.0 110.399 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 850' ' ' ASP . . . . . 0.545 ' HA ' ' CD ' ' A' ' 864' ' ' ARG . 20.0 p-10 -73.6 -54.94 7.0 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.081 179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -48.39 -54.66 13.2 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.949 -177.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . 0.465 ' OD2' ' N ' ' A' ' 849' ' ' GLU . 0.0 OUTLIER -57.72 -53.06 62.45 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 120.7 0.286 . . . . 0.0 110.695 -178.484 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.874 HD13 ' HA ' ' A' ' 864' ' ' ARG . 40.8 mt -56.99 -41.15 77.91 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.27 -47.24 77.38 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.589 177.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.08 -48.21 17.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.024 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 856' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.82 -34.8 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.04 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 95.16 43.22 3.55 Favored Glycine 0 CA--C 1.519 0.288 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 858' ' ' ILE . . . . . 0.568 HG21 ' CG ' ' A' ' 863' ' ' HIS . 4.2 mm -75.53 151.67 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -96.48 -74.58 0.56 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.556 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 860' ' ' ASN . . . . . 0.554 ' O ' ' ND1' ' A' ' 863' ' ' HIS . 29.5 t-20 -50.54 101.53 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.681 -178.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -45.28 -34.43 2.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -53.27 -27.8 33.08 Favored Glycine 0 C--N 1.322 -0.225 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 863' ' ' HIS . . . . . 0.568 ' CG ' HG21 ' A' ' 858' ' ' ILE . 40.6 p-80 -48.43 -46.1 37.2 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-O 120.593 0.235 . . . . 0.0 110.749 179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 864' ' ' ARG . . . . . 0.874 ' HA ' HD13 ' A' ' 853' ' ' LEU . 0.3 OUTLIER -51.67 -57.28 9.65 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.713 -178.715 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -49.76 71.19 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.327 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 866' ' ' ARG . . . . . 0.524 ' NH2' ' O ' ' A' ' 823' ' ' ILE . 16.5 mmm180 -58.75 -51.88 68.08 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.661 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.504 HG12 HD13 ' A' ' 825' ' ' LEU . 1.9 mm -64.36 -55.0 24.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.36 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . 0.598 HD12 ' C ' ' A' ' 868' ' ' LEU . 1.1 pp -52.83 -46.21 67.67 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.245 -0.582 . . . . 0.0 110.433 -177.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 869' ' ' GLN . . . . . 0.459 ' H ' ' HG ' ' A' ' 868' ' ' LEU . 68.8 mt-30 -63.87 -41.7 97.69 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.637 176.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 870' ' ' ALA . . . . . 0.477 ' CB ' HG21 ' A' ' 823' ' ' ILE . . . -59.74 -49.74 76.55 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.11 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.61 HD12 ' HB3' ' A' ' 848' ' ' MET . 0.1 OUTLIER -67.47 -42.15 86.82 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.249 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.327 179.214 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -52.94 -29.72 30.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 0.0 110.362 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.33 -20.26 44.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.356 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 874' ' ' LEU . . . . . 0.608 HD12 HG22 ' A' ' 871' ' ' ILE . 95.1 mt -66.31 154.91 89.44 Favored Pre-proline 0 N--CA 1.466 0.368 0 CA-C-O 120.635 0.255 . . . . 0.0 111.029 -178.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.32 150.37 26.23 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.413 2.076 . . . . 0.0 111.28 178.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 876' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.21 -1.024 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.668 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 814' ' ' GLN . . . . . 0.413 ' N ' ' OE1' ' A' ' 818' ' ' GLN . 4.2 tt0 . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 815' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 816' ' ' VAL . 2.4 m -78.42 167.13 21.78 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 178.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 816' ' ' VAL . . . . . 0.46 HG22 ' H ' ' A' ' 816' ' ' VAL . 0.6 OUTLIER -60.04 164.34 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.346 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 76.25 -68.95 2.3 Favored Glycine 0 C--N 1.314 -0.68 0 N-CA-C 108.714 -1.754 . . . . 0.0 108.714 -175.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 818' ' ' GLN . . . . . 0.413 ' OE1' ' N ' ' A' ' 814' ' ' GLN . 9.6 tm0? -52.45 -39.75 61.43 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 175.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 819' ' ' TRP . . . . . 0.51 ' CG ' HG11 ' A' ' 840' ' ' VAL . 24.9 t90 -59.69 -55.17 37.69 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.763 178.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 820' ' ' LEU . . . . . 0.411 HD23 HD11 ' A' ' 823' ' ' ILE . 83.1 mt -54.82 -44.56 73.96 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.943 178.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -62.42 -48.22 80.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.49 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 39.2 m -52.86 -51.04 62.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.362 178.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 823' ' ' ILE . . . . . 0.528 HG21 ' HB1' ' A' ' 870' ' ' ALA . 27.6 pt -74.09 -0.03 2.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.033 0.444 . . . . 0.0 110.549 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 64.88 38.58 95.71 Favored Glycine 0 CA--C 1.519 0.294 0 N-CA-C 111.561 -0.616 . . . . 0.0 111.561 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' A' ' 825' ' ' LEU . 54.1 mt -132.91 63.45 67.18 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.95 0.405 . . . . 0.0 110.559 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 826' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -69.09 169.23 18.54 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.652 2.235 . . . . 0.0 111.585 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 827' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 73.49 28.95 1.66 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.425 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 828' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -126.2 -4.39 6.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.452 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 829' ' ' GLU . . . . . 0.426 ' HG3' ' SD ' ' A' ' 833' ' ' MET . 1.2 tp10 -57.35 -61.11 2.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.788 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -45.62 -46.54 14.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.938 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 831' ' ' HIS . . . . . 0.41 ' HB3' ' HB ' ' A' ' 856' ' ' ILE . 23.5 m80 -64.28 -49.26 72.52 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.218 178.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . 0.507 ' HG ' ' CG ' ' A' ' 837' ' ' PHE . 1.2 mp -54.35 -52.18 62.39 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 833' ' ' MET . . . . . 0.426 ' SD ' ' HG3' ' A' ' 829' ' ' GLU . 28.5 mtp -60.31 -52.85 63.51 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.045 178.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -49.42 -51.23 36.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.478 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -65.82 -28.44 68.99 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.274 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 103.09 34.85 3.84 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 837' ' ' PHE . . . . . 0.507 ' CG ' ' HG ' ' A' ' 832' ' ' LEU . 4.3 m-85 -68.74 99.82 1.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . 0.48 ' O ' ' C ' ' A' ' 839' ' ' ASN . 6.4 t70 -71.18 176.58 4.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.191 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 839' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 838' ' ' ASP . 47.2 t-20 -31.48 116.82 0.18 Allowed 'General case' 0 C--O 1.237 0.432 0 CA-C-O 120.845 0.355 . . . . 0.0 110.526 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 840' ' ' VAL . . . . . 0.51 HG11 ' CG ' ' A' ' 819' ' ' TRP . 34.9 m -45.91 -39.84 3.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.883 -179.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 841' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -60.11 -47.61 85.17 Favored 'General case' 0 C--O 1.237 0.419 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 842' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 846' ' ' ASN . 11.4 t80 -60.9 -51.71 68.14 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 176.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 843' ' ' MET . . . . . 0.452 ' HE1' ' CE2' ' A' ' 837' ' ' PHE . 29.8 mmm -49.75 -55.96 12.04 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.135 178.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 844' ' ' GLY . . . . . 0.431 ' HA2' ' HB ' ' A' ' 871' ' ' ILE . . . -56.4 -28.2 54.91 Favored Glycine 0 CA--C 1.51 -0.235 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.3 m -102.35 13.62 34.12 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 120.715 0.293 . . . . 0.0 110.58 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 846' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 842' ' ' PHE . 9.8 t-20 -126.23 -54.37 1.48 Allowed 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.996 -177.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 13.4 p -152.72 140.76 13.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.314 -0.554 . . . . 0.0 112.053 -178.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 848' ' ' MET . . . . . . . . . . . . . 3.9 ptm -140.31 103.48 4.59 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.553 176.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 849' ' ' GLU . . . . . 0.422 ' O ' ' HG ' ' A' ' 853' ' ' LEU . 0.1 OUTLIER -150.71 166.72 29.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.759 -178.449 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 850' ' ' ASP . . . . . 0.433 ' OD1' ' NH2' ' A' ' 864' ' ' ARG . 0.0 OUTLIER -71.77 -46.17 59.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.235 178.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -48.68 -47.99 40.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.481 -177.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.65 -49.95 73.5 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.222 0.534 . . . . 0.0 110.107 -179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.483 ' HB2' ' HD3' ' A' ' 864' ' ' ARG . 11.2 mt -64.36 -50.93 65.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.666 178.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.31 -39.2 66.76 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.31 -48.27 71.53 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.325 178.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 856' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 853' ' ' LEU . 8.7 pt -74.72 7.89 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.387 177.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 61.77 43.11 99.68 Favored Glycine 0 C--O 1.234 0.13 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.026 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 858' ' ' ILE . . . . . 0.606 HG21 ' N ' ' A' ' 864' ' ' ARG . 7.9 mm -50.91 122.71 2.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 42.3 mt -39.65 -73.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -176.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 860' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -123.34 177.18 5.72 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.32 0.581 . . . . 0.0 112.194 -177.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 3.3 m -61.61 -39.21 90.44 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.655 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -53.24 -51.39 47.25 Favored Glycine 0 N--CA 1.454 -0.137 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 863' ' ' HIS . . . . . 0.531 ' HB3' HG23 ' A' ' 858' ' ' ILE . 22.2 m170 -58.69 -50.74 72.75 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 176.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 864' ' ' ARG . . . . . 0.606 ' N ' HG21 ' A' ' 858' ' ' ILE . 0.0 OUTLIER -52.51 -54.91 26.29 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.448 178.262 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 865' ' ' GLN . . . . . 0.432 ' NE2' ' OE1' ' A' ' 869' ' ' GLN . 7.8 tm0? -55.62 -50.29 70.54 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.466 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 866' ' ' ARG . . . . . 0.442 ' NH2' ' OE1' ' A' ' 869' ' ' GLN . 0.0 OUTLIER -58.84 -52.61 65.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.64 -179.651 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.436 HG21 HD22 ' A' ' 853' ' ' LEU . 3.7 mm -57.13 -47.18 84.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 7.4 tp -59.14 -49.59 77.3 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.212 0.53 . . . . 0.0 109.916 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 869' ' ' GLN . . . . . 0.442 ' OE1' ' NH2' ' A' ' 866' ' ' ARG . 6.1 mt-30 -61.4 -40.19 93.5 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.969 178.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 870' ' ' ALA . . . . . 0.528 ' HB1' HG21 ' A' ' 823' ' ' ILE . . . -59.0 -49.56 77.44 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.774 -178.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.679 ' HA ' HD12 ' A' ' 874' ' ' LEU . 46.6 pt -67.2 -37.65 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 120.059 -0.656 . . . . 0.0 109.885 178.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 872' ' ' GLN . . . . . 0.423 ' N ' HG13 ' A' ' 871' ' ' ILE . 34.2 mt-30 -62.37 -39.63 93.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.18 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -67.34 -30.98 70.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.094 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 874' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 871' ' ' ILE . 76.2 mt -55.78 111.98 3.76 Favored Pre-proline 0 N--CA 1.465 0.293 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.56 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.22 107.42 0.19 Allowed 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.254 1.969 . . . . 0.0 111.15 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 876' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.21 -0.979 0 CA-C-O 118.078 -0.963 . . . . 0.0 111.069 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 814' ' ' GLN . . . . . 0.51 ' N ' ' OE1' ' A' ' 818' ' ' GLN . 9.0 tt0 . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 815' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 817' ' ' GLY . 0.6 OUTLIER -77.96 165.38 24.14 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.041 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 816' ' ' VAL . . . . . 0.568 HG21 ' HG3' ' A' ' 833' ' ' MET . 5.4 m -63.21 71.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-O 121.442 0.639 . . . . 0.0 110.294 -178.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 815' ' ' THR . . . -158.5 -74.59 0.02 OUTLIER Glycine 0 C--N 1.308 -0.984 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 818' ' ' GLN . . . . . 0.51 ' OE1' ' N ' ' A' ' 814' ' ' GLN . 0.0 OUTLIER -51.9 -45.98 64.39 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 175.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 819' ' ' TRP . . . . . 0.575 ' CE2' ' HB1' ' A' ' 870' ' ' ALA . 11.3 t90 -52.99 -62.47 1.63 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.578 176.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 820' ' ' LEU . . . . . 0.449 ' HB3' ' O ' ' A' ' 825' ' ' LEU . 64.5 mt -54.52 -47.61 72.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.986 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -56.99 -46.98 81.88 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.335 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 8.2 m -52.78 -51.45 60.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.508 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 823' ' ' ILE . . . . . 1.063 HG21 ' HB2' ' A' ' 870' ' ' ALA . 9.2 pt -75.42 -11.32 14.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.926 0.393 . . . . 0.0 111.025 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 81.79 33.57 26.97 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . 0.537 HD12 HD12 ' A' ' 823' ' ' ILE . 61.5 mt -123.82 51.2 3.99 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 120.842 0.353 . . . . 0.0 110.577 178.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 826' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 825' ' ' LEU . 25.0 Cg_endo -62.94 169.15 9.37 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.719 2.28 . . . . 0.0 112.116 -179.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 827' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 63.94 20.86 12.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.934 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 828' ' ' TYR . . . . . 0.435 ' HB2' HD13 ' A' ' 820' ' ' LEU . 3.2 m-85 -104.51 -2.67 24.93 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 829' ' ' GLU . . . . . 0.441 ' HB3' HG23 ' A' ' 816' ' ' VAL . 0.5 OUTLIER -55.53 -76.2 0.03 OUTLIER 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.26 -178.83 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -46.68 -37.09 7.82 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.582 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 831' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -63.01 -58.07 8.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.485 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 1.7 mp -61.45 -51.52 68.34 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.036 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 833' ' ' MET . . . . . 0.568 ' HG3' HG21 ' A' ' 816' ' ' VAL . 14.1 mtm -54.7 -46.88 74.22 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.587 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -55.99 -36.12 67.54 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 120.996 0.427 . . . . 0.0 109.941 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.479 ' HB3' ' CD2' ' A' ' 837' ' ' PHE . 2.0 t30 -81.13 5.77 15.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.733 178.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 836' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 838' ' ' ASP . . . 80.42 -1.08 83.21 Favored Glycine 0 CA--C 1.518 0.257 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 837' ' ' PHE . . . . . 0.479 ' CD2' ' HB3' ' A' ' 835' ' ' ASN . 20.2 m-85 -71.19 54.65 0.19 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.081 0.467 . . . . 0.0 110.481 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . 0.416 ' CG ' ' N ' ' A' ' 839' ' ' ASN . 1.6 t70 -83.27 161.66 21.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.113 179.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 839' ' ' ASN . . . . . 0.416 ' N ' ' CG ' ' A' ' 838' ' ' ASP . 16.2 t-20 53.35 82.37 0.08 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.096 0.474 . . . . 0.0 110.603 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 840' ' ' VAL . . . . . 0.532 HG23 ' N ' ' A' ' 841' ' ' GLN . 34.8 m -45.21 -49.44 3.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.925 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 841' ' ' GLN . . . . . 0.6 ' HA ' HD13 ' A' ' 874' ' ' LEU . 0.0 OUTLIER -51.96 -58.06 7.6 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.314 179.712 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 842' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 846' ' ' ASN . 0.2 OUTLIER -59.87 -48.08 83.13 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 843' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -51.67 -56.08 15.77 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.549 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 844' ' ' GLY . . . . . . . . . . . . . . . -57.9 -42.83 94.93 Favored Glycine 0 CA--C 1.507 -0.429 0 N-CA-C 110.04 -1.224 . . . . 0.0 110.04 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.1 m -84.29 13.22 5.53 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-O 120.825 0.345 . . . . 0.0 110.446 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 846' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 842' ' ' PHE . 8.3 t30 -112.32 -53.73 2.68 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.858 -178.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 10.7 p -152.59 142.79 15.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 120.964 0.412 . . . . 0.0 111.115 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 848' ' ' MET . . . . . 0.568 ' HG2' HD12 ' A' ' 871' ' ' ILE . 3.0 mtt -135.24 102.29 5.12 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 849' ' ' GLU . . . . . 0.462 ' HB3' ' CG ' ' A' ' 851' ' ' GLN . 36.0 mm-40 -157.1 136.71 12.26 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 850' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -45.0 -26.6 0.45 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.849 0.357 . . . . 0.0 111.292 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 851' ' ' GLN . . . . . 0.462 ' CG ' ' HB3' ' A' ' 849' ' ' GLU . 0.0 OUTLIER -56.24 -26.1 50.09 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.505 179.277 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . 0.57 ' OD1' ' N ' ' A' ' 853' ' ' LEU . 9.4 p30 -56.03 -62.82 1.44 Allowed 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.221 0.534 . . . . 0.0 110.91 -178.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.853 HD12 ' HD2' ' A' ' 864' ' ' ARG . 9.4 mt -67.33 -25.85 66.21 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.82 178.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 854' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 854' ' ' LEU . 11.9 tp -65.43 -39.34 91.99 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 855' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 852' ' ' ASP . 8.4 mm-40 -57.4 -53.68 55.43 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.093 178.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 856' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -9.34 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.94 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 78.19 39.13 24.04 Favored Glycine 0 CA--C 1.522 0.527 0 CA-C-N 116.238 -0.437 . . . . 0.0 112.208 177.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 858' ' ' ILE . . . . . 0.412 ' HB ' ' HB3' ' A' ' 853' ' ' LEU . 18.9 mm -81.38 120.74 33.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 43.9 mt -96.01 -11.61 26.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.461 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 860' ' ' ASN . . . . . 0.589 ' O ' ' CD2' ' A' ' 863' ' ' HIS . 15.1 t-20 -62.75 162.5 10.75 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 1.3 m -94.19 -52.87 4.18 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.179 0.514 . . . . 0.0 111.312 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -53.88 -43.75 71.1 Favored Glycine 0 CA--C 1.523 0.537 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.843 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 863' ' ' HIS . . . . . 0.687 ' CD2' ' H ' ' A' ' 864' ' ' ARG . 1.4 p80 -39.27 -46.88 1.6 Allowed 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.774 0.287 . . . . 0.0 111.276 -177.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 864' ' ' ARG . . . . . 0.853 ' HD2' HD12 ' A' ' 853' ' ' LEU . 0.1 OUTLIER -54.73 -55.69 27.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.962 0.411 . . . . 0.0 110.286 179.414 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 865' ' ' GLN . . . . . 0.627 ' HA ' HD23 ' A' ' 868' ' ' LEU . 11.1 mm100 -61.51 -50.07 74.18 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.259 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 866' ' ' ARG . . . . . 0.428 ' NE ' ' OE1' ' A' ' 869' ' ' GLN . 12.4 mmp_? -60.01 -51.98 67.33 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.022 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.753 HG13 HD21 ' A' ' 853' ' ' LEU . 7.4 mm -59.82 -46.81 93.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.813 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . 0.635 HD12 ' C ' ' A' ' 868' ' ' LEU . 0.3 OUTLIER -54.43 -45.25 72.98 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.094 -0.643 . . . . 0.0 109.449 178.643 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 869' ' ' GLN . . . . . 0.569 ' N ' ' HG ' ' A' ' 868' ' ' LEU . 27.8 mt-30 -64.54 -39.84 94.49 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.286 176.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 870' ' ' ALA . . . . . 1.063 ' HB2' HG21 ' A' ' 823' ' ' ILE . . . -58.9 -49.21 78.66 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.629 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.568 HD12 ' HG2' ' A' ' 848' ' ' MET . 18.0 pt -68.07 -45.14 83.95 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.915 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -53.92 -29.03 40.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.398 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.44 -16.75 60.86 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.38 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 874' ' ' LEU . . . . . 0.6 HD13 ' HA ' ' A' ' 841' ' ' GLN . 32.9 mt -76.86 -54.03 1.71 Allowed Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -177.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 875' ' ' PRO . . . . . 0.581 ' HD3' ' HB2' ' A' ' 874' ' ' LEU . 32.9 Cg_exo -55.69 110.57 0.58 Allowed 'Trans proline' 0 N--CA 1.495 1.583 0 C-N-CA 121.721 1.614 . . . . 0.0 111.316 178.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 876' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.206 -1.207 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.219 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 814' ' ' GLN . . . . . 0.549 ' OE1' ' N ' ' A' ' 814' ' ' GLN . 4.8 pm0 . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 815' ' ' THR . . . . . 0.473 ' H ' ' HG2' ' A' ' 814' ' ' GLN . 1.6 p -83.43 163.81 20.3 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.27 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 816' ' ' VAL . . . . . 0.527 HG11 ' HB3' ' A' ' 832' ' ' LEU . 6.4 m -63.65 173.95 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.339 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . 1.002 ' H ' HD12 ' A' ' 820' ' ' LEU . . . 79.24 -75.85 2.02 Favored Glycine 0 C--O 1.224 -0.486 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 -177.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.69 -51.02 62.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.303 0.573 . . . . 0.0 109.677 177.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 819' ' ' TRP . . . . . 0.957 ' CE3' HG11 ' A' ' 840' ' ' VAL . 67.4 t90 -58.53 -53.49 57.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.6 178.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 820' ' ' LEU . . . . . 1.002 HD12 ' H ' ' A' ' 817' ' ' GLY . 13.5 mt -54.46 -51.31 65.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.515 178.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -56.8 -48.38 78.09 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.829 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 22.3 m -52.85 -48.72 66.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.885 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 823' ' ' ILE . . . . . 0.819 HG21 ' HB1' ' A' ' 870' ' ' ALA . 44.3 pt -73.84 -1.52 2.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.943 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 91.44 28.47 14.55 Favored Glycine 0 CA--C 1.519 0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.134 177.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . 0.531 HD12 HD11 ' A' ' 823' ' ' ILE . 99.2 mt -123.19 71.17 44.16 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.964 0.382 . . . . 0.0 111.338 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 826' ' ' PRO . . . . . 0.435 ' O ' ' CB ' ' A' ' 827' ' ' GLN . 54.4 Cg_endo -73.19 147.36 42.35 Favored 'Trans proline' 0 C--N 1.31 -1.455 0 C-N-CA 122.167 1.911 . . . . 0.0 110.882 178.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 827' ' ' GLN . . . . . 0.435 ' CB ' ' O ' ' A' ' 826' ' ' PRO . 0.0 OUTLIER 83.31 17.28 0.27 Allowed 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.035 0.445 . . . . 0.0 110.706 -179.107 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 828' ' ' TYR . . . . . 0.756 ' CB ' HD13 ' A' ' 820' ' ' LEU . 9.3 m-85 -104.51 -4.89 22.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.029 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 829' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' A' ' 829' ' ' GLU . 1.8 pm0 -63.88 -73.91 0.11 Allowed 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.303 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -45.0 -34.36 2.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.959 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 831' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -64.15 -57.67 8.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.809 178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . 0.527 ' HB3' HG11 ' A' ' 816' ' ' VAL . 5.8 mp -68.81 -35.99 77.68 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.166 178.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 39.7 mtm -60.28 -56.71 18.25 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.149 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -55.99 -44.79 78.91 Favored 'General case' 0 CA--C 1.511 -0.558 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 177.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -64.78 -9.24 18.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.241 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 61.75 35.37 91.15 Favored Glycine 0 C--O 1.235 0.196 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 837' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -107.63 50.22 0.78 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.134 0.492 . . . . 0.0 110.696 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . 0.467 ' HA ' HG13 ' A' ' 816' ' ' VAL . 3.7 t0 -77.59 176.21 9.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.026 178.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 839' ' ' ASN . . . . . 0.406 ' N ' ' OD1' ' A' ' 838' ' ' ASP . 7.0 t30 54.24 65.71 1.43 Allowed 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.352 0.596 . . . . 0.0 109.655 -179.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 840' ' ' VAL . . . . . 0.957 HG11 ' CE3' ' A' ' 819' ' ' TRP . 16.5 m -44.93 -28.01 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.361 -176.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 841' ' ' GLN . . . . . 0.653 ' CD ' ' H ' ' A' ' 841' ' ' GLN . 0.0 OUTLIER -52.23 -41.43 62.76 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.805 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 842' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' A' ' 846' ' ' ASN . 16.3 m-30 -62.27 -49.3 76.21 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.481 177.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 843' ' ' MET . . . . . . . . . . . . . 82.5 mtp -49.21 -56.6 8.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.218 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 844' ' ' GLY . . . . . 0.437 ' CA ' ' HB ' ' A' ' 871' ' ' ILE . . . -56.47 -33.94 62.95 Favored Glycine 0 N--CA 1.458 0.153 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.5 m -89.32 -9.98 48.47 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.517 0.198 . . . . 0.0 111.353 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 846' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 842' ' ' PHE . 7.6 t30 -105.65 -54.71 2.44 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -177.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 3.5 p -152.88 138.37 11.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 C-N-CA 120.541 -0.464 . . . . 0.0 111.391 -177.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 848' ' ' MET . . . . . 0.429 ' HB3' HD11 ' A' ' 871' ' ' ILE . 9.3 ptp -140.06 100.94 4.04 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.843 176.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -179.0 -161.69 0.04 OUTLIER 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.944 0.402 . . . . 0.0 111.239 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 850' ' ' ASP . . . . . 0.522 ' HA ' ' CD ' ' A' ' 864' ' ' ARG . 3.2 m-20 -72.81 -50.86 21.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.165 -178.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -47.36 -37.81 11.84 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.685 -176.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.95 -61.95 2.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.126 0.488 . . . . 0.0 110.526 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.827 HD12 ' HD2' ' A' ' 864' ' ' ARG . 21.1 mt -64.03 -38.27 90.45 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.816 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.71 -47.08 74.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.386 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -53.05 -52.91 57.0 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.968 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 856' ' ' ILE . . . . . 0.415 HG13 ' HA ' ' A' ' 853' ' ' LEU . 0.2 OUTLIER -63.21 -15.55 16.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.194 178.651 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 80.91 31.47 35.39 Favored Glycine 0 C--O 1.237 0.296 0 N-CA-C 111.816 -0.514 . . . . 0.0 111.816 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 858' ' ' ILE . . . . . . . . . . . . . 23.4 mm -75.67 104.87 4.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.143 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 35.7 mt -79.43 -11.16 59.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.016 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 860' ' ' ASN . . . . . 0.507 ' O ' ' CD2' ' A' ' 863' ' ' HIS . 32.3 m120 -51.88 160.66 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.283 -178.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.13 -52.7 4.44 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.048 0.451 . . . . 0.0 111.71 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 862' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 863' ' ' HIS . . . -76.87 -32.49 49.57 Favored Glycine 0 N--CA 1.467 0.744 0 CA-C-N 116.168 -0.469 . . . . 0.0 113.058 -175.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 863' ' ' HIS . . . . . 0.53 ' CD2' ' H ' ' A' ' 864' ' ' ARG . 1.8 p80 -34.18 -46.76 0.26 Allowed 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 117.045 0.422 . . . . 0.0 111.605 -177.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 864' ' ' ARG . . . . . 0.827 ' HD2' HD12 ' A' ' 853' ' ' LEU . 4.7 mmm180 -51.75 -56.71 12.2 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 120.92 0.39 . . . . 0.0 110.532 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -60.71 -49.46 77.42 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.468 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 866' ' ' ARG . . . . . 0.506 ' HB2' HD11 ' A' ' 825' ' ' LEU . 1.4 mmp_? -58.39 -46.59 86.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.586 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.67 HG13 HD21 ' A' ' 853' ' ' LEU . 8.9 mm -65.14 -48.81 82.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.812 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . 0.555 HD23 HH12 ' A' ' 864' ' ' ARG . 0.2 OUTLIER -53.75 -55.57 25.13 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.833 0.349 . . . . 0.0 111.144 -177.864 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 869' ' ' GLN . . . . . 0.445 ' OE1' ' NH2' ' A' ' 866' ' ' ARG . 1.4 pt20 -61.39 -43.28 99.15 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.143 0.497 . . . . 0.0 109.977 179.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 870' ' ' ALA . . . . . 0.819 ' HB1' HG21 ' A' ' 823' ' ' ILE . . . -59.92 -49.79 76.32 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.601 -178.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.437 ' HB ' ' CA ' ' A' ' 844' ' ' GLY . 18.8 pt -67.64 -42.63 86.73 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.432 0 C-N-CA 119.887 -0.725 . . . . 0.0 110.702 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 872' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -56.19 -30.55 62.42 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -73.73 -4.19 33.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.951 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 874' ' ' LEU . . . . . 0.481 HD13 HG23 ' A' ' 840' ' ' VAL . 58.1 mt -90.74 130.21 41.78 Favored Pre-proline 0 C--N 1.326 -0.437 0 C-N-CA 121.034 -0.267 . . . . 0.0 110.306 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.02 161.93 4.47 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.37 2.047 . . . . 0.0 111.338 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 876' ' ' LYS . . . . . 0.401 ' HZ3' ' C ' ' A' ' 876' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.207 -1.145 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.695 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 814' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 . . . . . 0 N--CA 1.488 1.43 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.15 166.35 22.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.633 -178.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 816' ' ' VAL . . . . . 0.57 HG12 ' CG1' ' A' ' 840' ' ' VAL . 17.5 m -62.14 -118.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.924 -177.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . 0.483 ' H ' HG23 ' A' ' 816' ' ' VAL . . . 50.87 -85.55 0.01 OUTLIER Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 818' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 816' ' ' VAL . 19.4 mp0 -52.39 -39.53 60.96 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.857 0.36 . . . . 0.0 110.271 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 819' ' ' TRP . . . . . 0.567 ' CD2' HG11 ' A' ' 840' ' ' VAL . 44.5 t90 -57.94 -50.58 72.9 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 820' ' ' LEU . . . . . 0.716 HD13 ' HB3' ' A' ' 828' ' ' TYR . 13.8 mt -58.25 -43.16 87.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.605 177.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -62.1 -42.44 99.23 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.596 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 6.1 m -57.28 -46.0 83.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.219 178.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 823' ' ' ILE . . . . . 0.465 ' O ' ' NH2' ' A' ' 866' ' ' ARG . 28.6 pt -82.88 12.77 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.099 0.476 . . . . 0.0 110.113 177.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 824' ' ' GLY . . . . . 0.443 ' C ' ' HD3' ' A' ' 826' ' ' PRO . . . 54.55 47.21 71.07 Favored Glycine 0 CA--C 1.519 0.319 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . 0.604 HD11 ' HB2' ' A' ' 866' ' ' ARG . 13.3 mt -123.34 66.14 32.65 Favored Pre-proline 0 C--N 1.33 -0.27 0 O-C-N 122.673 -0.31 . . . . 0.0 111.573 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 826' ' ' PRO . . . . . 0.443 ' HD3' ' C ' ' A' ' 824' ' ' GLY . 35.6 Cg_exo -56.32 168.59 1.97 Allowed 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.369 2.046 . . . . 0.0 111.319 176.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 827' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 65.08 20.24 11.99 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.592 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 828' ' ' TYR . . . . . 0.716 ' HB3' HD13 ' A' ' 820' ' ' LEU . 0.6 OUTLIER -112.77 -5.33 13.91 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 178.08 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 829' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -71.11 -77.43 0.09 Allowed 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.256 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -46.29 -35.47 5.33 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 831' ' ' HIS . . . . . 0.526 ' HB3' HD12 ' A' ' 856' ' ' ILE . 2.6 m80 -57.68 -57.55 12.22 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.089 178.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . 0.542 ' CD2' HG11 ' A' ' 816' ' ' VAL . 3.2 mp -69.63 -41.71 75.27 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.162 179.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 5.6 tpp -58.25 -55.44 34.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.964 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -57.32 -39.62 76.21 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -73.2 2.08 8.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.097 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 55.16 35.4 59.87 Favored Glycine 0 N--CA 1.452 -0.259 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 837' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.59 102.94 12.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.775 0.322 . . . . 0.0 111.079 -179.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' A' ' 839' ' ' ASN . 9.4 p-10 -139.02 113.58 9.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.934 177.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 839' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 838' ' ' ASP . 37.2 p30 141.47 59.82 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.148 0.979 . . . . 0.0 109.799 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 840' ' ' VAL . . . . . 0.57 ' CG1' HG12 ' A' ' 816' ' ' VAL . 34.5 m -45.72 -45.91 4.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.252 -178.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 841' ' ' GLN . . . . . 0.443 ' N ' HG23 ' A' ' 840' ' ' VAL . 11.1 tm0? -52.8 -53.0 54.66 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 842' ' ' PHE . . . . . 0.485 ' O ' ' N ' ' A' ' 846' ' ' ASN . 93.2 t80 -61.65 -48.51 80.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.259 177.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 843' ' ' MET . . . . . 0.421 ' SD ' HG21 ' A' ' 871' ' ' ILE . 13.3 ttt -45.52 -55.86 5.75 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.036 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 844' ' ' GLY . . . . . 0.465 ' CA ' ' HB ' ' A' ' 871' ' ' ILE . . . -68.68 -31.22 73.08 Favored Glycine 0 C--N 1.32 -0.329 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 845' ' ' SER . . . . . 0.564 ' OG ' ' NZ ' ' A' ' 876' ' ' LYS . 26.6 m -92.03 8.9 35.59 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -178.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 846' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 842' ' ' PHE . 19.2 t-20 -129.31 -56.55 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 119.75 -0.78 . . . . 0.0 112.67 -177.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 11.3 p -154.96 148.27 12.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.081 -0.647 . . . . 0.0 112.32 -178.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 848' ' ' MET . . . . . 0.444 ' SD ' ' NE2' ' A' ' 872' ' ' GLN . 0.0 OUTLIER -125.98 101.75 6.95 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 173.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -121.44 120.5 35.13 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.054 0.455 . . . . 0.0 112.072 -175.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 850' ' ' ASP . . . . . 0.799 ' HA ' HD12 ' A' ' 853' ' ' LEU . 10.4 t70 -63.65 -35.16 79.63 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 175.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 851' ' ' GLN . . . . . 0.404 ' HG3' ' H ' ' A' ' 851' ' ' GLN . 8.8 mt-30 -53.05 -49.79 65.61 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.799 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -43.68 79.02 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 120.914 0.388 . . . . 0.0 110.016 -179.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.799 HD12 ' HA ' ' A' ' 850' ' ' ASP . 11.6 mt -59.83 -38.36 81.81 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 2.2 mp -72.19 -44.38 63.1 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.585 177.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 855' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 851' ' ' GLN . 1.6 mm-40 -50.74 -52.8 37.02 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.213 178.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 856' ' ' ILE . . . . . 0.526 HD12 ' HB3' ' A' ' 831' ' ' HIS . 6.4 pt -69.16 -18.62 22.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 121.087 0.47 . . . . 0.0 109.919 177.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 96.45 40.84 3.82 Favored Glycine 0 CA--C 1.53 1.023 0 CA-C-N 115.904 -0.589 . . . . 0.0 113.533 175.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 858' ' ' ILE . . . . . 0.541 HG21 ' OH ' ' A' ' 828' ' ' TYR . 44.3 mm -79.35 115.89 22.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 175.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.71 -75.71 0.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -177.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 860' ' ' ASN . . . . . 0.529 HD21 ' CE1' ' A' ' 863' ' ' HIS . 2.0 p-10 -55.0 105.03 0.14 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.857 0.36 . . . . 0.0 110.998 -178.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 861' ' ' SER . . . . . 0.632 ' HA ' ' HE ' ' A' ' 864' ' ' ARG . 43.0 m -45.99 -26.63 0.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.055 -178.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -53.22 -37.68 55.22 Favored Glycine 0 C--O 1.226 -0.375 0 N-CA-C 109.122 -1.591 . . . . 0.0 109.122 177.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 863' ' ' HIS . . . . . 0.529 ' CE1' HD21 ' A' ' 860' ' ' ASN . 0.3 OUTLIER -68.66 -36.9 79.17 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 176.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 864' ' ' ARG . . . . . 0.632 ' HE ' ' HA ' ' A' ' 861' ' ' SER . 74.4 mtm180 -68.9 -53.54 20.54 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 177.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -57.26 -50.25 73.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.003 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 866' ' ' ARG . . . . . 0.604 ' HB2' HD11 ' A' ' 825' ' ' LEU . 68.8 mtp85 -58.03 -48.92 78.62 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.429 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.657 HG13 ' CZ ' ' A' ' 828' ' ' TYR . 10.5 mm -57.9 -52.69 54.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.495 -0.482 . . . . 0.0 109.957 178.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.03 -54.08 44.2 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 869' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -58.93 -44.58 91.37 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.483 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 870' ' ' ALA . . . . . 0.404 ' O ' ' HG ' ' A' ' 874' ' ' LEU . . . -58.84 -49.28 78.32 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.705 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.632 ' HA ' HD12 ' A' ' 874' ' ' LEU . 48.0 pt -67.59 -42.58 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 120.021 -0.672 . . . . 0.0 110.418 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 872' ' ' GLN . . . . . 0.449 ' N ' HG13 ' A' ' 871' ' ' ILE . 69.4 mt-30 -55.88 -38.45 70.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.361 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -78.25 -17.78 56.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.86 -178.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 874' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 871' ' ' ILE . 58.2 mt -55.98 147.9 41.77 Favored Pre-proline 0 N--CA 1.469 0.479 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.069 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.36 116.72 3.15 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 122.533 2.156 . . . . 0.0 111.616 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 876' ' ' LYS . . . . . 0.564 ' NZ ' ' OG ' ' A' ' 845' ' ' SER . 3.3 tptp . . . . . 0 C--O 1.205 -1.243 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.252 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 814' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 1.7 p -77.76 166.66 22.68 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 816' ' ' VAL . . . . . 0.614 HG22 ' CG ' ' A' ' 838' ' ' ASP . 3.1 m -59.58 101.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.434 0.635 . . . . 0.0 110.814 -176.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . -173.57 -91.73 0.08 OUTLIER Glycine 0 CA--C 1.52 0.37 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 9.7 mp0 -51.31 -29.03 13.68 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 120.987 0.423 . . . . 0.0 110.005 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 819' ' ' TRP . . . . . 0.622 ' CE2' HD11 ' A' ' 874' ' ' LEU . 12.4 t90 -57.98 -54.57 45.42 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.683 178.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 820' ' ' LEU . . . . . 0.448 HD21 ' HB2' ' A' ' 828' ' ' TYR . 5.8 mt -55.03 -38.54 68.09 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.823 177.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -67.33 -46.0 74.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.349 176.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 9.1 m -53.01 -51.24 62.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.053 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 823' ' ' ILE . . . . . 0.693 HD12 HD12 ' A' ' 825' ' ' LEU . 6.2 pt -76.4 -12.5 14.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.092 178.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 66.05 46.27 81.92 Favored Glycine 0 N--CA 1.453 -0.227 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . 0.693 HD12 HD12 ' A' ' 823' ' ' ILE . 28.6 mt -129.69 58.27 36.58 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 120.641 0.258 . . . . 0.0 111.175 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 826' ' ' PRO . . . . . 0.496 ' O ' ' HB3' ' A' ' 827' ' ' GLN . 35.6 Cg_endo -67.46 122.57 9.81 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.044 1.83 . . . . 0.0 111.045 179.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 827' ' ' GLN . . . . . 0.496 ' HB3' ' O ' ' A' ' 826' ' ' PRO . 0.7 OUTLIER 152.24 -16.97 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.497 0.719 . . . . 0.0 110.418 179.466 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 828' ' ' TYR . . . . . 0.456 ' CZ ' ' HG3' ' A' ' 827' ' ' GLN . 38.8 m-85 -105.54 -2.62 23.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.635 -177.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 829' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -45.48 -72.49 0.06 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.032 0.444 . . . . 0.0 110.576 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.46 -36.36 71.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.978 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 831' ' ' HIS . . . . . 0.57 ' NE2' ' O ' ' A' ' 856' ' ' ILE . 2.8 t-160 -53.73 -57.46 10.76 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.329 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 6.3 mp -62.37 -49.48 75.4 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.75 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 18.8 tpp -54.02 -55.96 22.41 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.548 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -50.06 -40.34 44.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.37 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.514 ' ND2' ' CE1' ' A' ' 837' ' ' PHE . 27.2 t30 -85.39 5.65 29.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.921 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 64.57 17.02 61.78 Favored Glycine 0 CA--C 1.52 0.403 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 837' ' ' PHE . . . . . 0.514 ' CE1' ' ND2' ' A' ' 835' ' ' ASN . 3.4 m-30 -80.93 58.1 3.29 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.833 0.349 . . . . 0.0 110.436 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . 0.614 ' CG ' HG22 ' A' ' 816' ' ' VAL . 6.7 t0 -96.52 175.83 6.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.576 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 839' ' ' ASN . . . . . 0.473 ' ND2' ' CG ' ' A' ' 842' ' ' PHE . 37.3 t30 61.53 62.89 1.25 Allowed 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.551 0.691 . . . . 0.0 109.271 -178.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 840' ' ' VAL . . . . . 0.547 HG11 ' CE3' ' A' ' 819' ' ' TRP . 27.2 m -44.94 -43.74 2.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.951 -176.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 841' ' ' GLN . . . . . 0.421 ' H ' ' CD ' ' A' ' 841' ' ' GLN . 0.2 OUTLIER -52.17 -40.21 61.13 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.755 179.314 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 842' ' ' PHE . . . . . 0.473 ' CG ' ' ND2' ' A' ' 839' ' ' ASN . 3.2 m-30 -67.73 -46.43 72.18 Favored 'General case' 0 CA--C 1.507 -0.711 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 843' ' ' MET . . . . . . . . . . . . . 90.3 mtp -48.41 -55.73 10.05 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 844' ' ' GLY . . . . . 0.411 ' HA2' ' HB ' ' A' ' 871' ' ' ILE . . . -59.81 -38.42 93.95 Favored Glycine 0 C--O 1.234 0.152 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 178.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 845' ' ' SER . . . . . 0.418 ' HA ' ' HB3' ' A' ' 876' ' ' LYS . 1.8 t -78.69 2.23 20.27 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 178.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 846' ' ' ASN . . . . . 0.842 ' ND2' HG22 ' A' ' 847' ' ' VAL . 0.0 OUTLIER -100.2 -55.6 2.58 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . 0.842 HG22 ' ND2' ' A' ' 846' ' ' ASN . 31.1 m -153.79 150.91 11.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 848' ' ' MET . . . . . 0.675 ' SD ' ' HE2' ' A' ' 876' ' ' LYS . 33.6 mtm -123.96 100.87 6.95 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 177.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 173.28 -178.59 0.08 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.418 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 850' ' ' ASP . . . . . 0.661 ' HA ' HD12 ' A' ' 853' ' ' LEU . 3.8 p-10 -71.08 -25.22 62.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.641 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 851' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 855' ' ' GLU . 19.6 mt-30 -48.17 -51.71 23.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.185 -178.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . 0.431 ' HB2' HG23 ' A' ' 847' ' ' VAL . 3.5 t70 -57.81 -52.57 64.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.404 0.621 . . . . 0.0 109.651 179.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.854 HD13 ' CG ' ' A' ' 864' ' ' ARG . 6.7 mt -57.86 -33.59 68.83 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.617 177.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 854' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 850' ' ' ASP . 1.0 OUTLIER -70.55 -40.08 73.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.544 177.673 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 855' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 851' ' ' GLN . 24.5 mm-40 -53.4 -53.67 47.86 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 856' ' ' ILE . . . . . 0.57 ' O ' ' NE2' ' A' ' 831' ' ' HIS . 0.0 OUTLIER -64.39 -34.09 67.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 176.663 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 95.7 43.33 3.4 Favored Glycine 0 C--O 1.228 -0.262 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.479 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 858' ' ' ILE . . . . . 0.464 ' O ' ' NH1' ' A' ' 864' ' ' ARG . 12.7 mm -60.18 144.97 12.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 19.8 mt -96.16 -73.26 0.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.91 0.386 . . . . 0.0 111.187 -178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 860' ' ' ASN . . . . . 0.464 ' OD1' ' ND1' ' A' ' 863' ' ' HIS . 29.3 t-20 -62.99 121.12 12.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.281 -178.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 861' ' ' SER . . . . . 0.428 ' OG ' ' NH2' ' A' ' 864' ' ' ARG . 32.5 m -69.55 -31.96 70.48 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.042 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -55.8 -52.36 49.08 Favored Glycine 0 C--O 1.235 0.192 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 863' ' ' HIS . . . . . 0.464 ' ND1' ' OD1' ' A' ' 860' ' ' ASN . 25.3 m80 -63.22 -43.36 98.31 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 176.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 864' ' ' ARG . . . . . 0.854 ' CG ' HD13 ' A' ' 853' ' ' LEU . 5.4 ttp180 -51.42 -54.46 26.55 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.722 177.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -53.84 -43.27 69.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.272 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 866' ' ' ARG . . . . . 0.67 ' HB3' HD11 ' A' ' 825' ' ' LEU . 16.5 mmm180 -61.59 -46.31 90.41 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.586 HG12 HD13 ' A' ' 825' ' ' LEU . 1.4 mm -63.25 -43.68 98.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . . . . . . . . . 49.4 tp -54.71 -54.93 35.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.603 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 869' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 870' ' ' ALA . 8.8 pt20 -60.55 -38.79 85.62 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.048 179.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 870' ' ' ALA . . . . . 0.416 ' N ' ' HG3' ' A' ' 869' ' ' GLN . . . -59.73 -49.64 76.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.765 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.623 ' HA ' HD12 ' A' ' 874' ' ' LEU . 23.6 pt -65.34 -37.18 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 C-N-CA 119.989 -0.684 . . . . 0.0 110.009 178.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 872' ' ' GLN . . . . . 0.474 ' O ' ' NZ ' ' A' ' 876' ' ' LYS . 91.8 mt-30 -61.85 -37.99 86.57 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 3.4 mp -75.25 -36.43 61.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.98 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 874' ' ' LEU . . . . . 0.623 HD12 ' HA ' ' A' ' 871' ' ' ILE . 19.5 mt -48.41 142.85 7.91 Favored Pre-proline 0 N--CA 1.469 0.505 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.245 -178.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 875' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -65.45 123.82 12.0 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.514 2.142 . . . . 0.0 110.907 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 876' ' ' LYS . . . . . 0.675 ' HE2' ' SD ' ' A' ' 848' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.207 -1.144 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.877 -177.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 814' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.07 156.75 28.2 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.313 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 816' ' ' VAL . . . . . 0.444 ' H ' HG22 ' A' ' 816' ' ' VAL . 0.9 OUTLIER -63.47 106.38 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.768 -178.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . -164.65 -82.73 0.05 OUTLIER Glycine 0 CA--C 1.519 0.339 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 818' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -52.08 -35.38 47.53 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 120.856 0.36 . . . . 0.0 110.36 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 819' ' ' TRP . . . . . . . . . . . . . 39.4 t90 -56.53 -50.51 71.63 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 820' ' ' LEU . . . . . 0.437 HD22 ' HB2' ' A' ' 828' ' ' TYR . 57.6 mt -56.2 -48.53 76.23 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.247 178.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -61.76 -45.19 94.96 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.902 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 16.3 m -57.95 -40.32 80.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.302 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 823' ' ' ILE . . . . . 0.675 HG21 ' HB1' ' A' ' 870' ' ' ALA . 46.0 pt -79.28 3.26 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.054 178.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 76.86 21.71 73.64 Favored Glycine 0 C--N 1.329 0.193 0 N-CA-C 111.581 -0.608 . . . . 0.0 111.581 178.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . 0.498 HD11 ' HB3' ' A' ' 866' ' ' ARG . 43.4 mt -118.98 74.29 13.04 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.786 0.293 . . . . 0.0 110.834 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 826' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -73.98 152.24 46.01 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.01 1.807 . . . . 0.0 111.306 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 827' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 72.01 50.5 0.23 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.394 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 828' ' ' TYR . . . . . 0.437 ' HB2' HD22 ' A' ' 820' ' ' LEU . 23.4 m-85 -133.51 -2.87 3.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.329 177.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 829' ' ' GLU . . . . . 0.421 ' HG2' ' H ' ' A' ' 830' ' ' ASN . 1.0 OUTLIER -53.24 -58.49 6.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.346 179.332 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 830' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 831' ' ' HIS . 34.9 p-10 -48.87 -51.05 31.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.857 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 831' ' ' HIS . . . . . 0.513 ' N ' ' OD1' ' A' ' 830' ' ' ASN . 45.4 m80 -51.26 -58.21 6.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.508 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . 0.461 HD23 ' CE ' ' A' ' 843' ' ' MET . 9.7 mp -63.45 -52.02 63.2 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.457 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 833' ' ' MET . . . . . . . . . . . . . 32.1 tpp -53.31 -51.0 63.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.378 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -57.44 -45.3 84.87 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.094 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.449 ' ND2' ' HB3' ' A' ' 855' ' ' GLU . 8.1 t-20 -74.28 4.97 4.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.588 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 69.08 14.59 68.55 Favored Glycine 0 CA--C 1.518 0.28 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 837' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.76 70.15 1.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.95 0.405 . . . . 0.0 110.088 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.27 158.37 15.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.973 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 839' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 63.38 83.67 0.16 Allowed 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.08 0.467 . . . . 0.0 110.117 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 840' ' ' VAL . . . . . 0.594 ' HA ' ' SD ' ' A' ' 843' ' ' MET . 27.4 m -47.64 -42.49 8.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.967 -179.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 841' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -55.08 -51.93 64.81 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 842' ' ' PHE . . . . . 0.595 ' O ' ' N ' ' A' ' 846' ' ' ASN . 1.7 m-85 -61.84 -54.63 39.52 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.56 178.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 843' ' ' MET . . . . . 0.594 ' SD ' ' HA ' ' A' ' 840' ' ' VAL . 8.0 mtp -46.63 -55.65 7.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.015 0.436 . . . . 0.0 110.243 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 844' ' ' GLY . . . . . 0.575 ' HA2' HG23 ' A' ' 871' ' ' ILE . . . -62.99 -19.69 61.56 Favored Glycine 0 CA--C 1.517 0.19 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 19.2 m -99.55 -22.54 15.42 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.86 -0.2 . . . . 0.0 111.49 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 846' ' ' ASN . . . . . 0.595 ' N ' ' O ' ' A' ' 842' ' ' PHE . 17.3 t30 -88.75 -57.12 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -176.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 12.3 p -155.16 131.85 2.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.421 -0.512 . . . . 0.0 111.701 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 848' ' ' MET . . . . . 0.635 ' SD ' ' N ' ' A' ' 848' ' ' MET . 0.0 OUTLIER -140.69 102.55 4.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.645 177.786 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 849' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -170.41 -171.6 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.255 0.55 . . . . 0.0 111.897 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 850' ' ' ASP . . . . . 0.521 ' CG ' HH22 ' A' ' 864' ' ' ARG . 0.1 OUTLIER -60.5 -49.06 79.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.706 -177.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -47.52 -47.43 27.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.38 -176.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.32 -55.86 29.52 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.329 0.585 . . . . 0.0 109.979 179.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.898 HD13 ' HB3' ' A' ' 864' ' ' ARG . 9.7 mt -56.89 -35.02 68.48 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.431 178.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 854' ' ' LEU . . . . . . . . . . . . . 4.0 mp -64.69 -47.72 77.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.732 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 855' ' ' GLU . . . . . 0.449 ' HB3' ' ND2' ' A' ' 835' ' ' ASN . 23.0 mt-10 -47.75 -48.98 29.66 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.268 178.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 856' ' ' ILE . . . . . 0.491 HG21 ' HB3' ' A' ' 831' ' ' HIS . 0.0 OUTLIER -86.23 2.92 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.818 178.417 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 53.73 43.24 69.33 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 858' ' ' ILE . . . . . 0.42 ' HB ' ' HG2' ' A' ' 864' ' ' ARG . 13.2 mm -63.69 85.66 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.907 0.384 . . . . 0.0 110.425 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . 0.48 ' H ' HD12 ' A' ' 859' ' ' LEU . 1.5 mp -55.91 -40.24 72.79 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.165 -179.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 860' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.42 85.91 0.11 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.166 -178.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 861' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 864' ' ' ARG . 0.7 OUTLIER -46.74 -42.14 16.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.631 179.35 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -56.8 -52.01 53.45 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 863' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -57.72 -41.01 80.88 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 864' ' ' ARG . . . . . 0.898 ' HB3' HD13 ' A' ' 853' ' ' LEU . 0.8 OUTLIER -52.1 -56.39 14.76 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.397 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.99 -41.97 93.2 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.886 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 866' ' ' ARG . . . . . 0.498 ' HB3' HD11 ' A' ' 825' ' ' LEU . 9.5 tpt180 -58.06 -50.54 73.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.833 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.483 HG12 ' CD1' ' A' ' 825' ' ' LEU . 3.8 mm -59.29 -45.7 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . 0.566 HD11 HD11 ' A' ' 853' ' ' LEU . 33.7 mt -57.08 -55.44 34.73 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.783 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 869' ' ' GLN . . . . . 0.544 ' HG3' ' N ' ' A' ' 870' ' ' ALA . 3.9 pt20 -60.68 -42.24 96.7 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.271 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 870' ' ' ALA . . . . . 0.675 ' HB1' HG21 ' A' ' 823' ' ' ILE . . . -59.16 -48.81 80.26 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 179.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.575 HG23 ' HA2' ' A' ' 844' ' ' GLY . 0.1 OUTLIER -61.86 -47.09 94.86 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.819 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 872' ' ' GLN . . . . . 0.437 ' N ' HG22 ' A' ' 871' ' ' ILE . 5.5 mm-40 -59.58 -22.31 61.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.264 178.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.85 -4.5 59.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.074 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 874' ' ' LEU . . . . . 0.546 ' HB2' ' HD3' ' A' ' 875' ' ' PRO . 80.0 mt -75.55 -49.34 3.76 Favored Pre-proline 0 C--N 1.328 -0.347 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.395 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 875' ' ' PRO . . . . . 0.546 ' HD3' ' HB2' ' A' ' 874' ' ' LEU . 77.5 Cg_exo -47.11 99.24 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 122.352 2.035 . . . . 0.0 111.758 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 876' ' ' LYS . . . . . . . . . . . . . 19.2 mttp . . . . . 0 C--O 1.208 -1.126 0 CA-C-O 118.131 -0.938 . . . . 0.0 110.423 179.931 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 814' ' ' GLN . . . . . 0.524 ' N ' ' OE1' ' A' ' 818' ' ' GLN . 6.0 tt0 . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 815' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.04 165.19 24.32 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.478 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 816' ' ' VAL . . . . . 0.599 HG21 ' HG3' ' A' ' 833' ' ' MET . 12.8 m -63.07 84.58 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-O 121.399 0.618 . . . . 0.0 110.124 -179.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 177.56 -67.41 0.08 OUTLIER Glycine 0 C--N 1.312 -0.792 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 818' ' ' GLN . . . . . 0.524 ' OE1' ' N ' ' A' ' 814' ' ' GLN . 3.4 tm0? -51.23 -46.04 62.15 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 176.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 819' ' ' TRP . . . . . 0.49 ' CE3' HG11 ' A' ' 840' ' ' VAL . 42.0 t90 -56.85 -53.97 51.82 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.57 178.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 820' ' ' LEU . . . . . . . . . . . . . 56.5 mt -53.57 -46.26 70.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.046 178.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.437 ' HG2' ' HB3' ' A' ' 826' ' ' PRO . 1.9 mt-10 -60.54 -49.68 76.55 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 822' ' ' SER . . . . . . . . . . . . . 7.1 m -52.5 -45.33 66.15 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.721 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 823' ' ' ILE . . . . . 0.498 ' O ' ' HD3' ' A' ' 866' ' ' ARG . 21.6 pt -83.29 6.79 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 120.957 0.408 . . . . 0.0 110.747 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 824' ' ' GLY . . . . . . . . . . . . . . . 65.02 38.04 94.96 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.761 -0.535 . . . . 0.0 111.761 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 825' ' ' LEU . . . . . 0.597 ' N ' ' CD ' ' A' ' 826' ' ' PRO . 77.1 mt -131.2 41.0 0.66 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.62 0.21 . . . . 0.0 110.848 178.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 826' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 825' ' ' LEU . 48.1 Cg_endo -70.03 122.66 9.26 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 C-N-CA 122.06 1.84 . . . . 0.0 111.097 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 827' ' ' GLN . . . . . 0.489 ' HB3' ' O ' ' A' ' 826' ' ' PRO . 1.8 pt20 151.58 -13.28 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.678 0.791 . . . . 0.0 109.706 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 828' ' ' TYR . . . . . 0.562 ' CE1' HD12 ' A' ' 858' ' ' ILE . 60.3 m-85 -103.69 -2.12 27.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.104 -177.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 829' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.93 -77.34 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.033 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 830' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -55.63 -38.05 69.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.886 178.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 831' ' ' HIS . . . . . 0.578 ' NE2' ' O ' ' A' ' 856' ' ' ILE . 1.6 t-160 -49.89 -52.71 30.83 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.151 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 832' ' ' LEU . . . . . . . . . . . . . 2.2 mp -59.25 -52.17 66.82 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 833' ' ' MET . . . . . 0.599 ' HG3' HG21 ' A' ' 816' ' ' VAL . 7.5 mtp -52.22 -54.73 27.33 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.919 178.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 834' ' ' ALA . . . . . . . . . . . . . . . -49.18 -51.34 33.26 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.335 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.432 ' CB ' HG23 ' A' ' 856' ' ' ILE . 4.5 t30 -70.13 -3.67 17.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.964 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 836' ' ' GLY . . . . . . . . . . . . . . . 77.45 26.89 60.4 Favored Glycine 0 C--O 1.236 0.256 0 N-CA-C 110.529 -1.029 . . . . 0.0 110.529 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 837' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -98.14 83.3 3.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.814 0.34 . . . . 0.0 110.185 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 838' ' ' ASP . . . . . 0.47 ' CG ' ' N ' ' A' ' 839' ' ' ASN . 16.3 t70 -102.66 168.44 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.735 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 839' ' ' ASN . . . . . 0.47 ' N ' ' CG ' ' A' ' 838' ' ' ASP . 55.9 t-20 52.37 81.38 0.08 Allowed 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.333 179.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 840' ' ' VAL . . . . . 0.49 HG11 ' CE3' ' A' ' 819' ' ' TRP . 27.5 m -53.57 -42.28 49.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.672 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 841' ' ' GLN . . . . . 0.449 HE21 ' C ' ' A' ' 875' ' ' PRO . 0.6 OUTLIER -59.55 -48.42 81.74 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 178.681 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 842' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 846' ' ' ASN . 89.2 t80 -60.94 -48.19 82.95 Favored 'General case' 0 CA--C 1.505 -0.768 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 843' ' ' MET . . . . . . . . . . . . . 38.9 mtp -46.1 -56.32 5.79 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 844' ' ' GLY . . . . . 0.486 ' CA ' ' HB ' ' A' ' 871' ' ' ILE . . . -57.58 -35.66 74.27 Favored Glycine 0 C--O 1.226 -0.355 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 178.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 845' ' ' SER . . . . . . . . . . . . . 1.6 m -92.78 13.62 19.72 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.647 0.26 . . . . 0.0 110.794 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 846' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 842' ' ' PHE . 12.8 t-20 -129.67 -52.32 1.16 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.458 -177.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 847' ' ' VAL . . . . . . . . . . . . . 6.1 p -152.27 130.29 2.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 120.912 0.387 . . . . 0.0 110.683 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 848' ' ' MET . . . . . 0.651 ' SD ' ' HG2' ' A' ' 872' ' ' GLN . 9.2 mtm -139.22 101.8 4.35 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 849' ' ' GLU . . . . . 0.569 ' HA ' HD21 ' A' ' 868' ' ' LEU . 2.5 pt-20 -172.49 157.39 3.96 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.236 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 850' ' ' ASP . . . . . 0.422 ' CG ' HH21 ' A' ' 864' ' ' ARG . 0.9 OUTLIER -46.29 -38.92 9.26 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.12 179.538 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 851' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -50.88 -31.02 16.14 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.99 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 852' ' ' ASP . . . . . 0.556 ' OD2' HD12 ' A' ' 853' ' ' LEU . 0.0 OUTLIER -70.6 -61.72 1.66 Allowed 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.563 -179.503 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.799 HD23 ' HB ' ' A' ' 858' ' ' ILE . 0.4 OUTLIER -56.79 -36.52 69.97 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.722 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 854' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 854' ' ' LEU . 2.1 mm? -60.87 -41.89 96.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.543 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 855' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.14 -59.22 5.24 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.753 178.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 856' ' ' ILE . . . . . 0.578 ' O ' ' NE2' ' A' ' 831' ' ' HIS . 0.0 OUTLIER -58.77 -29.87 41.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 177.852 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 857' ' ' GLY . . . . . . . . . . . . . . . 96.93 35.4 5.35 Favored Glycine 0 CA--C 1.517 0.202 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 858' ' ' ILE . . . . . 0.799 ' HB ' HD23 ' A' ' 853' ' ' LEU . 2.4 mm -97.46 85.83 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 178.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 859' ' ' LEU . . . . . . . . . . . . . 10.5 mt -76.07 -24.86 55.12 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.972 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 860' ' ' ASN . . . . . 0.485 ' HB3' ' CG ' ' A' ' 863' ' ' HIS . 1.0 OUTLIER -43.22 101.27 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.675 -179.279 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 861' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.59 -52.29 10.81 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.384 -178.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 862' ' ' GLY . . . . . . . . . . . . . . . -57.59 -42.42 94.1 Favored Glycine 0 C--N 1.322 -0.214 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 863' ' ' HIS . . . . . 0.485 ' CG ' ' HB3' ' A' ' 860' ' ' ASN . 29.4 m170 -69.25 -42.15 76.01 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 864' ' ' ARG . . . . . 0.777 ' HD2' HD13 ' A' ' 853' ' ' LEU . 1.5 mmm180 -52.52 -56.59 14.14 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.752 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 865' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -64.73 -45.29 87.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.936 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 866' ' ' ARG . . . . . 0.578 ' HD2' HD11 ' A' ' 825' ' ' LEU . 19.3 ttm180 -58.53 -55.18 38.36 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.639 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 867' ' ' ILE . . . . . 0.647 HG13 HD21 ' A' ' 853' ' ' LEU . 5.3 mm -53.63 -54.01 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.165 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 868' ' ' LEU . . . . . 0.569 HD21 ' HA ' ' A' ' 849' ' ' GLU . 0.4 OUTLIER -54.41 -54.84 35.35 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 121.102 0.477 . . . . 0.0 110.039 178.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 869' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -57.67 -43.55 85.09 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.007 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 870' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 866' ' ' ARG . . . -60.06 -49.84 76.07 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.037 -178.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 871' ' ' ILE . . . . . 0.486 ' HB ' ' CA ' ' A' ' 844' ' ' GLY . 41.0 pt -66.5 -37.66 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.852 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 872' ' ' GLN . . . . . 0.651 ' HG2' ' SD ' ' A' ' 848' ' ' MET . 1.1 mt-30 -59.19 -31.82 69.36 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.05 178.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 873' ' ' LEU . . . . . 0.406 ' HA ' HD22 ' A' ' 873' ' ' LEU . 1.7 mm? -80.71 -20.84 41.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.259 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 874' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 841' ' ' GLN . 95.0 mt -62.98 147.02 95.03 Favored Pre-proline 0 C--N 1.327 -0.372 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.097 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 875' ' ' PRO . . . . . 0.449 ' C ' HE21 ' A' ' 841' ' ' GLN . 60.9 Cg_endo -76.31 178.44 7.51 Favored 'Trans proline' 0 C--N 1.309 -1.553 0 C-N-CA 122.415 2.077 . . . . 0.0 110.994 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 876' ' ' LYS . . . . . . . . . . . . . 1.2 pttm . . . . . 0 C--O 1.209 -1.066 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.706 179.202 . . . . . . . . 0 0 . 1 stop_ save_