data_1sso_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 1sso _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 full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.526 -0.546 . . . . 2.15 109.526 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 t -143.12 154.82 44.31 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.585 -0.697 . . . . 1.64 109.388 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.3 p -112.7 137.28 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.541 -0.724 . . . . 1.22 109.485 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -117.68 139.13 51.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.564 -0.71 . . . . 3.2 109.23 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.448 ' CD2' ' CB ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -99.08 -167.74 1.52 Allowed 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.615 -0.678 . . . . 2.21 109.2 -179.752 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -157.6 97.87 1.62 Allowed 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 109.141 -0.688 . . . . 3.42 109.141 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -115.84 105.38 12.62 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.516 -0.74 . . . . 2.86 110.073 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 tttt 55.9 51.16 12.62 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.56 -0.713 . . . . 5.24 110.242 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.66 25.88 74.79 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 110.017 -1.233 . . . . 2.16 110.017 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -118.19 83.56 2.03 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.441 -1.035 . . . . 3.03 109.068 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -61.52 111.85 1.97 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.545 -0.722 . . . . 2.76 109.714 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' CB ' ' CD2' ' A' ' 5' ' ' PHE . 25.2 mttt -88.61 174.02 8.3 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 121.628 -0.67 . . . . 2.57 109.476 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -151.11 132.83 14.92 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.464 -0.772 . . . . 2.5 110.251 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 44.6 t -147.1 126.68 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 N-CA-C 108.796 -0.816 . . . . 1.96 108.796 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -62.12 148.03 45.64 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.488 -0.757 . . . . 1.8 109.448 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.7 tt -61.77 -30.84 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.472 -0.768 . . . . 2.2 109.398 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.1 m -73.21 -35.98 66.41 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.61 -0.681 . . . . 1.94 109.368 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -64.48 -33.39 75.78 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.636 -0.665 . . . . 2.92 109.403 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.41 HG22 HD11 ' A' ' 19' ' ' ILE . 69.7 mt -62.81 163.75 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.544 -0.723 . . . . 1.38 109.435 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -122.18 -70.49 0.78 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.787 -0.571 . . . . 3.0 109.54 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -116.38 158.57 23.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.583 -0.698 . . . . 3.75 109.455 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.9 t -149.26 124.55 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.503 -0.748 . . . . 2.4 109.511 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.416 ' CZ3' ' HA ' ' A' ' 31' ' ' PHE . 25.1 p90 -144.46 123.79 13.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.494 -0.753 . . . . 2.2 109.498 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.12 124.7 28.99 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 121.579 -0.701 . . . . 3.93 109.622 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 40.1 t -105.43 118.82 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.449 -0.782 . . . . 1.94 109.3 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.48 -101.28 0.56 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.553 -1.419 . . . . 1.66 109.553 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -118.04 -37.28 3.42 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.52 -0.988 . . . . 4.85 109.727 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 31.4 mtp -71.71 -176.46 1.63 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.522 -0.736 . . . . 1.46 109.619 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.9 mt -138.43 138.7 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 N-CA-C 109.165 -0.68 . . . . 1.97 109.165 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.0 m -129.97 169.25 15.48 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.624 -0.672 . . . . 1.27 109.633 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.431 ' CE2' HG13 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -168.57 -176.18 2.71 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.59 -0.694 . . . . 2.44 109.49 179.758 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.0 p -134.5 109.86 8.99 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 109.034 -0.728 . . . . 1.34 109.034 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.402 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 27.7 p90 -109.53 142.73 40.17 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.439 -0.788 . . . . 2.32 109.454 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -79.1 111.55 15.43 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.631 -0.668 . . . . 2.03 109.636 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -63.57 -49.78 72.07 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.595 -0.691 . . . . 3.13 109.404 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.82 47.42 0.19 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.376 -1.489 . . . . 3.18 109.376 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.55 -51.46 0.02 OUTLIER Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.53 -1.428 . . . . 3.73 109.53 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.91 -35.69 0.37 Allowed Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.274 -1.53 . . . . 3.29 109.274 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -89.85 128.78 36.24 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.614 -0.933 . . . . 4.95 109.359 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.8 m -60.17 129.25 40.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.441 -0.787 . . . . 1.73 109.604 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.67 89.43 1.44 Allowed Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.817 -1.313 . . . . 1.26 109.817 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.7 mtm180 -63.92 162.43 13.83 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.537 -0.978 . . . . 3.56 109.351 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.37 147.48 16.07 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.679 -1.368 . . . . 0.76 109.679 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -124.05 91.23 3.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.592 -0.946 . . . . 1.3 109.301 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.431 HG13 ' CE2' ' A' ' 31' ' ' PHE . 8.9 p -86.99 163.62 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.629 -0.669 . . . . 1.17 109.251 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.8 m -88.05 176.18 7.41 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.438 -0.789 . . . . 1.17 109.278 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -80.69 -36.85 31.73 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.488 -0.757 . . . . 2.42 109.537 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -74.33 -33.67 63.22 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.594 -0.691 . . . . 3.64 109.568 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -71.46 -29.91 65.39 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.604 -0.685 . . . . 1.78 109.707 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.8 141.92 90.44 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 121.571 -0.706 . . . . 1.26 109.481 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -64.41 -168.17 0.1 OUTLIER 'Trans proline' 0 C--N 1.327 -0.572 0 C-N-CA 121.28 1.32 . . . . 1.12 110.24 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -94.79 -24.33 17.12 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.66 -0.65 . . . . 3.62 109.856 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -95.6 35.79 1.33 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.364 -0.835 . . . . 2.76 109.995 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.6 tp -107.86 -43.89 4.35 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.401 -0.812 . . . . 2.1 109.31 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.6 mt -59.63 -19.45 49.23 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.452 -0.78 . . . . 2.03 109.097 178.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -46.31 -48.9 18.14 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.569 -0.707 . . . . 2.3 111.29 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.4 mtm -62.33 -37.75 86.82 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.415 -0.803 . . . . 1.8 109.981 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.03 -25.4 68.36 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.463 -0.773 . . . . 2.95 110.166 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -119.82 32.34 6.1 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.579 -0.701 . . . . 4.87 109.3 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -100.28 103.96 15.41 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.972 -0.751 . . . . 6.27 108.972 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -111.68 133.67 53.77 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.611 -0.68 . . . . 7.88 109.591 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 118.016 -0.992 . . . . 10.07 109.37 179.879 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.526 -0.546 . . . . 1.73 109.526 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 t -143.12 154.82 44.31 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.585 -0.697 . . . . 1.1799999999999999 109.388 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.672 HG23 ' HD3' ' A' ' 51' ' ' PRO . 9.3 p -112.7 137.28 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.541 -0.724 . . . . 0.71999999999999997 109.485 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -117.68 139.13 51.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.564 -0.71 . . . . 2.77 109.23 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.454 ' CD2' ' HB2' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -99.08 -167.74 1.52 Allowed 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.615 -0.678 . . . . 1.3 109.2 -179.752 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -157.6 97.87 1.62 Allowed 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 109.141 -0.688 . . . . 3.0499999999999998 109.141 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.483 ' OH ' ' HB3' ' A' ' 44' ' ' ALA . 10.0 m-85 -115.84 105.38 12.62 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.516 -0.74 . . . . 2.0600000000000001 110.073 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 tttt 55.9 51.16 12.62 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.56 -0.713 . . . . 4.9000000000000004 110.242 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.66 25.88 74.79 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 110.017 -1.233 . . . . 2.1600000000000001 110.017 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -118.19 83.56 2.03 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.441 -1.035 . . . . 3.0299999999999998 109.068 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -61.52 111.85 1.97 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.545 -0.722 . . . . 2.7599999999999998 109.714 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.454 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 25.2 mttt -88.61 174.02 8.3 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 121.628 -0.67 . . . . 2.1299999999999999 109.476 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -151.11 132.83 14.92 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.464 -0.772 . . . . 2.3399999999999999 110.251 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 44.6 t -147.1 126.68 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 N-CA-C 108.796 -0.816 . . . . 1.3700000000000001 108.796 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -62.12 148.03 45.64 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.488 -0.757 . . . . 1.8 109.448 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.7 tt -61.77 -30.84 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.472 -0.768 . . . . 1.6699999999999999 109.398 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.1 m -73.21 -35.98 66.41 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.61 -0.681 . . . . 1.6899999999999999 109.368 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -64.48 -33.39 75.78 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.636 -0.665 . . . . 2.5099999999999998 109.403 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.51 HG22 ' N ' ' A' ' 20' ' ' LYS . 69.7 mt -62.81 163.75 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.544 -0.723 . . . . 1.0800000000000001 109.435 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.51 ' N ' HG22 ' A' ' 19' ' ' ILE . 22.1 mttt -122.18 -70.49 0.78 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.787 -0.571 . . . . 2.5099999999999998 109.54 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -116.38 158.57 23.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.583 -0.698 . . . . 3.3599999999999999 109.455 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.9 t -149.26 124.55 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.503 -0.748 . . . . 1.8 109.511 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.413 ' CZ3' ' HA ' ' A' ' 31' ' ' PHE . 25.1 p90 -144.46 123.79 13.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.494 -0.753 . . . . 1.6000000000000001 109.498 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.661 ' HD3' HD22 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -80.12 124.7 28.99 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 121.579 -0.701 . . . . 3.29 109.622 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 40.1 t -105.43 118.82 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.449 -0.782 . . . . 1.48 109.3 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.48 -101.28 0.56 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.553 -1.419 . . . . 1.6599999999999999 109.553 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -118.04 -37.28 3.42 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.52 -0.988 . . . . 4.4800000000000004 109.727 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 31.4 mtp -71.71 -176.46 1.63 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.522 -0.736 . . . . 1.03 109.619 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.9 mt -138.43 138.7 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 N-CA-C 109.165 -0.68 . . . . 1.3100000000000001 109.165 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.0 m -129.97 169.25 15.48 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.624 -0.672 . . . . 0.94999999999999996 109.633 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.413 ' HA ' ' CZ3' ' A' ' 23' ' ' TRP . 0.1 OUTLIER -168.57 -176.18 2.71 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.59 -0.694 . . . . 1.6100000000000001 109.49 179.758 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.449 HG22 ' HG2' ' A' ' 42' ' ' ARG . 33.0 p -134.5 109.86 8.99 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 109.034 -0.728 . . . . 0.73999999999999999 109.034 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.402 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 27.7 p90 -109.53 142.73 40.17 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.439 -0.788 . . . . 1.4399999999999999 109.454 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -79.1 111.55 15.43 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.631 -0.668 . . . . 2.0299999999999998 109.636 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -63.57 -49.78 72.07 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.595 -0.691 . . . . 3.1299999999999999 109.404 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.82 47.42 0.19 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.376 -1.489 . . . . 3.1800000000000002 109.376 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.55 -51.46 0.02 OUTLIER Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.53 -1.428 . . . . 3.6400000000000001 109.53 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.91 -35.69 0.37 Allowed Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.274 -1.53 . . . . 2.8199999999999998 109.274 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -89.85 128.78 36.24 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.614 -0.933 . . . . 4.5700000000000003 109.359 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.8 m -60.17 129.25 40.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.441 -0.787 . . . . 1.6399999999999999 109.604 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.67 89.43 1.44 Allowed Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.817 -1.313 . . . . 1.04 109.817 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.449 ' HG2' HG22 ' A' ' 32' ' ' THR . 4.7 mtm180 -63.92 162.43 13.83 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.537 -0.978 . . . . 3.0600000000000001 109.351 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.37 147.48 16.07 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.679 -1.368 . . . . 0.64000000000000001 109.679 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.483 ' HB3' ' OH ' ' A' ' 7' ' ' TYR . . . -124.05 91.23 3.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.592 -0.946 . . . . 1.01 109.301 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.48 HG22 ' N ' ' A' ' 46' ' ' SER . 8.9 p -86.99 163.62 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.629 -0.669 . . . . 0.66000000000000003 109.251 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.48 ' N ' HG22 ' A' ' 45' ' ' VAL . 16.8 m -88.05 176.18 7.41 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.438 -0.789 . . . . 0.78000000000000003 109.278 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -80.69 -36.85 31.73 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.488 -0.757 . . . . 2.4199999999999999 109.537 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -74.33 -33.67 63.22 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.594 -0.691 . . . . 3.2200000000000002 109.568 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -71.46 -29.91 65.39 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.604 -0.685 . . . . 1.78 109.707 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.8 141.92 90.44 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 121.571 -0.706 . . . . 0.88 109.481 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.672 ' HD3' HG23 ' A' ' 3' ' ' VAL . 1.4 Cg_endo -64.41 -168.17 0.1 OUTLIER 'Trans proline' 0 C--N 1.327 -0.572 0 C-N-CA 121.28 1.32 . . . . 1.02 110.24 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -94.79 -24.33 17.12 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.66 -0.65 . . . . 3.29 109.856 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -95.6 35.79 1.33 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.364 -0.835 . . . . 2.7599999999999998 109.995 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 54' ' ' LEU . 12.6 tp -107.86 -43.89 4.35 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.401 -0.812 . . . . 1.5 109.31 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.6 mt -59.63 -19.45 49.23 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.452 -0.78 . . . . 1.55 109.097 178.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -46.31 -48.9 18.14 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.569 -0.707 . . . . 1.99 111.29 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.4 mtm -62.33 -37.75 86.82 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.415 -0.803 . . . . 1.6899999999999999 109.981 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.661 HD22 ' HD3' ' A' ' 24' ' ' ARG . 0.9 OUTLIER -63.03 -25.4 68.36 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.463 -0.773 . . . . 2.3999999999999999 110.166 -179.854 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -119.82 32.34 6.1 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.579 -0.701 . . . . 4.8700000000000001 109.3 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -100.28 103.96 15.41 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.972 -0.751 . . . . 5.9100000000000001 108.972 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -111.68 133.67 53.77 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.611 -0.68 . . . . 7.2300000000000004 109.591 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 118.016 -0.992 . . . . 9.7400000000000002 109.37 179.879 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.526 -0.546 . . . . 1.73 109.526 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 t -143.12 154.82 44.31 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.585 -0.697 . . . . 1.18 109.388 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.672 HG23 ' HD3' ' A' ' 51' ' ' PRO . 9.3 p -112.7 137.28 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.541 -0.724 . . . . 0.72 109.485 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -117.68 139.13 51.44 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.564 -0.71 . . . . 2.77 109.23 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.454 ' CD2' ' HB2' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -99.08 -167.74 1.52 Allowed 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.615 -0.678 . . . . 1.3 109.2 -179.752 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -157.6 97.87 1.62 Allowed 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 109.141 -0.688 . . . . 3.05 109.141 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.483 ' OH ' ' HB3' ' A' ' 44' ' ' ALA . 10.0 m-85 -115.84 105.38 12.62 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.516 -0.74 . . . . 2.06 110.073 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 tttt 55.9 51.16 12.62 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.56 -0.713 . . . . 4.9 110.242 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.66 25.88 74.79 Favored Glycine 0 N--CA 1.493 2.487 0 N-CA-C 110.017 -1.233 . . . . 2.16 110.017 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -118.19 83.56 2.03 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.441 -1.035 . . . . 3.03 109.068 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -61.52 111.85 1.97 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.545 -0.722 . . . . 2.76 109.714 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.454 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 25.2 mttt -88.61 174.02 8.3 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 121.628 -0.67 . . . . 2.13 109.476 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -151.11 132.83 14.92 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.464 -0.772 . . . . 2.34 110.251 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 44.6 t -147.1 126.68 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 N-CA-C 108.796 -0.816 . . . . 1.37 108.796 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -62.12 148.03 45.64 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.488 -0.757 . . . . 1.8 109.448 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.7 tt -61.77 -30.84 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.472 -0.768 . . . . 1.67 109.398 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.1 m -73.21 -35.98 66.41 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.61 -0.681 . . . . 1.69 109.368 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -64.48 -33.39 75.78 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.636 -0.665 . . . . 2.51 109.403 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.51 HG22 ' N ' ' A' ' 20' ' ' LYS . 69.7 mt -62.81 163.75 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.544 -0.723 . . . . 1.08 109.435 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.51 ' N ' HG22 ' A' ' 19' ' ' ILE . 22.1 mttt -122.18 -70.49 0.78 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.787 -0.571 . . . . 2.51 109.54 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -116.38 158.57 23.27 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.583 -0.698 . . . . 3.36 109.455 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.9 t -149.26 124.55 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.503 -0.748 . . . . 1.8 109.511 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.413 ' CZ3' ' HA ' ' A' ' 31' ' ' PHE . 25.1 p90 -144.46 123.79 13.05 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.494 -0.753 . . . . 1.6 109.498 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.661 ' HD3' HD22 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -80.12 124.7 28.99 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 121.579 -0.701 . . . . 3.29 109.622 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 40.1 t -105.43 118.82 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.449 -0.782 . . . . 1.48 109.3 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.48 -101.28 0.56 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.553 -1.419 . . . . 1.66 109.553 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -118.04 -37.28 3.42 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.52 -0.988 . . . . 4.48 109.727 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 31.4 mtp -71.71 -176.46 1.63 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.522 -0.736 . . . . 1.03 109.619 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.9 mt -138.43 138.7 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 N-CA-C 109.165 -0.68 . . . . 1.31 109.165 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.0 m -129.97 169.25 15.48 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.624 -0.672 . . . . 0.95 109.633 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.413 ' CZ ' ' CE1' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -168.57 -176.18 2.71 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.59 -0.694 . . . . 1.61 109.49 179.758 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.449 HG22 ' HG2' ' A' ' 42' ' ' ARG . 33.0 p -134.5 109.86 8.99 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 109.034 -0.728 . . . . 0.74 109.034 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.402 ' O ' ' CD1' ' A' ' 33' ' ' TYR . 27.7 p90 -109.53 142.73 40.17 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.439 -0.788 . . . . 1.44 109.454 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -79.1 111.55 15.43 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.631 -0.668 . . . . 2.03 109.636 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -63.57 -49.78 72.07 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.595 -0.691 . . . . 3.13 109.404 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.82 47.42 0.19 Allowed Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.376 -1.489 . . . . 3.18 109.376 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -146.55 -51.46 0.02 OUTLIER Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.53 -1.428 . . . . 3.64 109.53 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.91 -35.69 0.37 Allowed Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.274 -1.53 . . . . 2.82 109.274 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -89.85 128.78 36.24 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.614 -0.933 . . . . 4.57 109.359 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.8 m -60.17 129.25 40.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.441 -0.787 . . . . 1.64 109.604 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.67 89.43 1.44 Allowed Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.817 -1.313 . . . . 1.04 109.817 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.449 ' HG2' HG22 ' A' ' 32' ' ' THR . 4.7 mtm180 -63.92 162.43 13.83 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.537 -0.978 . . . . 3.06 109.351 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.37 147.48 16.07 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.679 -1.368 . . . . 0.64 109.679 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.483 ' HB3' ' OH ' ' A' ' 7' ' ' TYR . . . -124.05 91.23 3.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.592 -0.946 . . . . 1.01 109.301 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.48 HG22 ' N ' ' A' ' 46' ' ' SER . 8.9 p -86.99 163.62 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.629 -0.669 . . . . 0.66 109.251 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.48 ' N ' HG22 ' A' ' 45' ' ' VAL . 16.8 m -88.05 176.18 7.41 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.438 -0.789 . . . . 0.78 109.278 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -80.69 -36.85 31.73 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.488 -0.757 . . . . 2.42 109.537 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -74.33 -33.67 63.22 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.594 -0.691 . . . . 3.22 109.568 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -71.46 -29.91 65.39 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.604 -0.685 . . . . 1.78 109.707 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.8 141.92 90.44 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 121.571 -0.706 . . . . 0.88 109.481 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.672 ' HD3' HG23 ' A' ' 3' ' ' VAL . 1.4 Cg_endo -64.41 -168.17 0.1 OUTLIER 'Trans proline' 0 C--N 1.327 -0.572 0 C-N-CA 121.28 1.32 . . . . 1.02 110.24 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -94.79 -24.33 17.12 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.66 -0.65 . . . . 3.29 109.856 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -95.6 35.79 1.33 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.364 -0.835 . . . . 2.76 109.995 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 54' ' ' LEU . 12.6 tp -107.86 -43.89 4.35 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.401 -0.812 . . . . 1.5 109.31 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.6 mt -59.63 -19.45 49.23 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.452 -0.78 . . . . 1.55 109.097 178.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -46.31 -48.9 18.14 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.569 -0.707 . . . . 1.99 111.29 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.4 mtm -62.33 -37.75 86.82 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.415 -0.803 . . . . 1.69 109.981 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.661 HD22 ' HD3' ' A' ' 24' ' ' ARG . 0.9 OUTLIER -63.03 -25.4 68.36 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.463 -0.773 . . . . 2.4 110.166 -179.854 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -119.82 32.34 6.1 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.579 -0.701 . . . . 4.87 109.3 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -100.28 103.96 15.41 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.972 -0.751 . . . . 5.91 108.972 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -111.68 133.67 53.77 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.611 -0.68 . . . . 7.23 109.591 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 118.016 -0.992 . . . . 9.74 109.37 179.879 . . . . . . . . 0 0 . 1 stop_ save_