data_1iiy_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 1iiy _Structure_validation_residue.Date_analyzed 2016-10-06 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' ' ' LEU . . . . . . . . . . . . . 94.6 mt . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.519 0.676 . . . . 0.0 109.935 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.4 -142.58 44.5 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.585 ' NZ ' ' OE1' ' A' ' 6' ' ' GLN . 22.3 ttpt 78.69 18.69 0.93 Allowed 'General case' 0 N--CA 1.504 2.268 0 CA-C-N 117.642 0.721 . . . . 2.1099999999999999 110.231 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -46.99 -20.66 0.16 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.362 -0.836 . . . . 0.0 110.212 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.5 p -70.09 -13.25 62.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.443 -1.411 . . . . 0.0 111.058 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.585 ' OE1' ' NZ ' ' A' ' 3' ' ' LYS . 63.3 tt0 -71.62 -27.62 63.22 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.732 -1.23 . . . . 1.23 110.25 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.5 p -126.65 19.2 7.33 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.31 -0.869 . . . . 0.94999999999999996 110.798 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 64.2 m -130.11 153.67 48.26 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.939 -1.101 . . . . 0.0 108.428 178.632 -57.344 -115.476 116.38 104.873 2.023 104.361 -77.103 -69.994 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -147.46 172.09 14.49 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.969 -1.082 . . . . 0.0 110.129 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 56.26 35.67 26.17 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.354 -0.842 . . . . 0.0 109.484 -178.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.8 m -67.69 144.37 55.51 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.302 -0.873 . . . . 0.0 109.737 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -144.87 154.45 42.64 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.403 0.621 . . . . 0.0 109.465 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.7 mt -134.21 134.42 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 CA-C-O 121.842 0.829 . . . . 0.0 109.73 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -135.75 111.88 9.67 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.06 -118.12 7.88 Favored Glycine 0 N--CA 1.483 1.778 0 N-CA-C 107.912 -2.075 . . . . 0.0 107.912 -178.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.7 p -111.61 4.24 18.52 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.247 -1.149 . . . . 0.0 109.886 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.3 t -92.76 123.44 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.29 0 O-C-N 120.909 -1.119 . . . . 0.0 112.21 -177.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.8 tp -94.2 128.38 40.6 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 176.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.5 m -128.29 130.61 48.11 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.5 t -157.29 157.15 33.67 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 118.104 -1.438 . . . . 0.0 111.157 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.2 m -98.26 122.68 41.72 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 93.5 m -120.06 153.98 35.28 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.476 -0.765 . . . . 0.0 111.096 -178.909 -69.994 -77.103 116.38 104.361 2.023 104.873 -115.476 -57.344 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -84.82 141.56 30.38 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 122.268 1.033 . . . . 1.0600000000000001 110.578 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -81.12 154.83 26.55 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-O 121.839 0.828 . . . . 0.0 110.189 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.404 ' OG1' ' O4 ' ' A' ' 203' ' ' MAN . 37.1 m -60.12 -40.01 88.23 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.177 -1.046 . . . . 1.01 108.177 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.26 26.5 1.4 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.438 -0.789 . . . . 0.0 109.834 -177.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.77 155.98 3.97 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.52 161.57 24.2 Favored Glycine 0 N--CA 1.503 3.128 0 N-CA-C 106.527 -2.629 . . . . 0.0 106.527 -175.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -116.62 145.95 43.04 Favored 'General case' 0 N--CA 1.505 2.295 0 CA-C-N 119.269 1.534 . . . . 0.0 110.236 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -126.74 146.82 50.08 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 93.6 m -119.86 130.1 54.71 Favored 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.6 p -151.3 167.52 27.61 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.669 -1.269 . . . . 0.0 110.656 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.6 m -138.51 148.92 44.84 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.649 0.737 . . . . 0.0 109.801 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.3 tt -142.8 140.3 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.543 -0.723 . . . . 0.0 109.071 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -81.39 116.53 21.26 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.07 -1.019 . . . . 0.0 109.367 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.0 mt -79.95 -2.92 45.98 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.931 -1.106 . . . . 0.0 108.866 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -59.59 -38.5 81.38 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.833 -1.167 . . . . 0.0 109.846 -178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.3 p -72.48 3.84 4.45 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.209 -0.932 . . . . 0.0 112.27 -178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.494 ' O ' ' N ' ' A' ' 50' ' ' GLN . 3.4 m -135.91 -5.07 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.51 2.563 0 O-C-N 120.331 -1.481 . . . . 0.0 112.317 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 82.2 mt -114.05 133.39 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.879 0 O-C-N 120.728 -1.233 . . . . 0.0 111.262 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.603 ' OE1' ' NE2' ' A' ' 50' ' ' GLN . 76.4 tt0 -122.3 155.8 35.18 Favored 'General case' 0 N--CA 1.51 2.541 0 N-CA-C 109.094 -0.706 . . . . 1.0600000000000001 109.094 178.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -102.12 117.88 35.73 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 107.249 -1.389 . . . . 1.5800000000000001 107.249 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.6 t -111.64 98.3 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.291 0 CA-C-O 122.234 1.016 . . . . 0.0 110.42 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.551 ' OD1' ' CZ ' ' A' ' 76' ' ' ARG . 78.5 m-20 48.56 39.78 13.93 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 115.702 -0.681 . . . . 0.02 111.986 177.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 115.07 -16.87 17.7 Favored Glycine 0 N--CA 1.506 3.357 0 C-N-CA 120.126 -1.035 . . . . 0.0 113.205 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.0 t -121.61 143.66 49.19 Favored 'General case' 0 N--CA 1.507 2.415 0 CA-C-N 120.68 2.24 . . . . 0.0 112.275 -176.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.1 mt -79.62 129.98 34.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.653 -0.654 . . . . 0.0 109.343 177.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -125.45 161.59 26.75 Favored 'General case' 0 N--CA 1.507 2.4 0 O-C-N 121.665 -0.647 . . . . 0.0 110.228 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -76.43 80.92 3.15 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.371 -0.83 . . . . 0.0 111.276 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.603 ' NE2' ' OE1' ' A' ' 41' ' ' GLU . 8.7 tt0 -165.73 139.32 3.64 Favored Pre-proline 0 N--CA 1.499 1.99 0 O-C-N 120.956 -1.09 . . . . 0.0 108.355 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -64.36 144.36 85.54 Favored 'Trans proline' 0 N--CA 1.505 2.19 0 C-N-CA 121.531 1.487 . . . . 0.0 112.956 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.458 ' O ' ' OG ' ' A' ' 52' ' ' SER . 1.2 t 174.41 12.36 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.462 -0.774 . . . . 1.04 109.687 178.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 58.5 59.74 2.84 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.07 -1.019 . . . . 0.20999999999999999 109.482 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.463 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 15.7 p90 -60.1 -39.89 87.75 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.421 -0.799 . . . . 0.0 111.286 -178.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.463 ' N ' ' CG ' ' A' ' 54' ' ' PHE . 3.5 tp -57.79 -21.39 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.089 -1.007 . . . . 0.0 110.199 -178.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.38 -31.41 72.56 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.988 -1.07 . . . . 0.02 109.053 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 66.4 p -117.59 18.36 14.24 Favored 'General case' 0 N--CA 1.513 2.712 0 C-N-CA 119.786 -0.765 . . . . 1.0 110.492 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 71.0 m -134.05 155.6 49.73 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.039 -1.038 . . . . 0.0 109.567 179.498 -62.414 -110.885 121.712 103.948 2.019 105.009 -79.428 -72.294 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -141.27 178.48 7.38 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.482 -0.761 . . . . 0.0 110.164 -177.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 47.89 49.95 16.26 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.689 -0.632 . . . . 0.0 111.208 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.6 p -75.31 132.2 40.83 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 177.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -149.23 162.51 39.88 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.777 -1.202 . . . . 0.0 110.469 -178.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.9 tp -85.7 127.53 34.54 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.3 -0.875 . . . . 0.0 108.87 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.8 129.95 54.69 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.31 -150.43 51.87 Favored Glycine 0 N--CA 1.491 2.315 0 C-N-CA 120.005 -1.093 . . . . 0.0 110.73 178.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.89 -39.25 13.16 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.666 -0.902 . . . . 0.0 110.921 -178.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.6 p -133.62 9.11 3.93 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.258 -0.901 . . . . 0.0 112.552 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -99.2 140.07 33.9 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.359 -1.463 . . . . 0.0 111.298 -178.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 tp -109.4 120.07 41.4 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -105.67 140.53 38.59 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -155.93 174.92 14.63 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.426 -0.796 . . . . 0.0 108.873 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -118.06 132.55 56.36 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 67.4 m -132.62 148.24 52.36 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 120.817 -1.177 . . . . 0.0 111.721 -178.102 -72.294 -79.428 121.712 105.009 2.019 103.948 -110.885 -62.414 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -73.45 133.33 43.67 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 122.112 0.958 . . . . 1.76 111.726 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.9 p -91.66 173.18 8.01 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.551 ' CZ ' ' OD1' ' A' ' 44' ' ' ASP . 53.4 mtt-85 -58.62 -22.49 56.59 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 120.72 -1.238 . . . . 0.050000000000000003 109.102 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.76 10.1 10.26 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.584 -1.323 . . . . 0.0 110.148 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 65.1 35.44 7.96 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.079 -1.013 . . . . 0.75 111.668 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -120.1 141.36 49.88 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 121.411 -0.805 . . . . 0.0 109.054 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -87.17 124.38 33.22 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.757 -1.215 . . . . 0.0 109.185 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 m -125.72 161.63 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.492 0 O-C-N 121.202 -0.936 . . . . 0.0 109.011 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.9 t -72.15 130.14 40.16 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.872 -1.142 . . . . 0.0 111.165 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.44 ' HG1' ' N ' ' A' ' 84' ' ' LYS . 7.1 t -135.26 157.5 46.76 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.44 ' N ' ' HG1' ' A' ' 83' ' ' THR . 35.9 pttt -155.76 160.24 40.13 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 122.081 0.943 . . . . 0.0 109.906 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.2 tt -148.79 148.11 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 CA-C-O 121.55 0.691 . . . . 0.0 109.154 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -87.71 112.82 22.79 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.496 -0.752 . . . . 0.0 109.946 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.3 mt -67.63 -21.49 65.38 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.162 -0.962 . . . . 0.0 110.009 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -68.19 -13.71 62.44 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.85 -1.156 . . . . 0.0 111.897 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -62.83 -39.91 95.78 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.258 -1.527 . . . . 0.0 113.033 -177.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -138.72 -9.94 1.38 Allowed 'General case' 0 N--CA 1.507 2.379 0 O-C-N 120.725 -1.234 . . . . 0.0 112.308 -176.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.7 mm -84.71 110.25 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 120.604 -1.31 . . . . 0.0 109.076 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -118.76 168.6 10.59 Favored 'General case' 0 N--CA 1.505 2.277 0 CA-C-O 121.909 0.861 . . . . 0.0 110.79 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -111.39 111.07 21.85 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 107.648 -1.241 . . . . 0.93000000000000005 107.648 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 27.5 mm -113.48 107.0 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.145 0 N-CA-C 107.204 -1.406 . . . . 0.95999999999999996 107.204 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.6 t0 65.67 33.24 8.51 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.262 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.58 1.17 89.27 Favored Glycine 0 N--CA 1.498 2.823 0 O-C-N 120.48 -1.388 . . . . 0.0 110.755 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 23.8 m -118.71 137.4 53.36 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.467 -1.019 . . . . 0.0 109.111 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 60.6 mt -82.26 138.68 34.54 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.088 -1.008 . . . . 0.0 109.77 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -149.36 130.34 14.36 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -70.0 139.78 52.81 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.986 -1.072 . . . . 0.0 108.937 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 . . . . . 0 N--CA 1.497 1.888 0 O-C-N 121.026 -1.046 . . . . 0.0 109.466 179.308 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' MAN . . . . . 0.404 ' O4 ' ' OG1' ' A' ' 25' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 94.6 mt . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.519 0.676 . . . . 0.0 109.935 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.4 -142.58 44.5 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.551 ' NZ ' ' OE1' ' A' ' 6' ' ' GLN . 22.3 ttpt 78.69 18.69 0.93 Allowed 'General case' 0 N--CA 1.504 2.268 0 CA-C-N 117.642 0.721 . . . . 1.64 110.231 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -46.99 -20.66 0.16 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.362 -0.836 . . . . 0.0 110.212 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.5 p -70.09 -13.25 62.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.443 -1.411 . . . . 0.0 111.058 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.551 ' OE1' ' NZ ' ' A' ' 3' ' ' LYS . 63.3 tt0 -71.62 -27.62 63.22 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.732 -1.23 . . . . 0.73 110.25 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.5 p -126.65 19.2 7.33 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.31 -0.869 . . . . 0.07 110.798 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 64.2 m -130.11 153.67 48.26 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.939 -1.101 . . . . 0.0 108.428 178.632 -57.344 -115.476 116.38 104.873 2.023 104.361 -77.103 -69.994 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -147.46 172.09 14.49 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.969 -1.082 . . . . 0.0 110.129 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 56.26 35.67 26.17 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.354 -0.842 . . . . 0.0 109.484 -178.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.8 m -67.69 144.37 55.51 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.302 -0.873 . . . . 0.0 109.737 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -144.87 154.45 42.64 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.403 0.621 . . . . 0.0 109.465 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.7 mt -134.21 134.42 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 CA-C-O 121.842 0.829 . . . . 0.0 109.73 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -135.75 111.88 9.67 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.06 -118.12 7.88 Favored Glycine 0 N--CA 1.483 1.778 0 N-CA-C 107.912 -2.075 . . . . 0.0 107.912 -178.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.7 p -111.61 4.24 18.52 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.247 -1.149 . . . . 0.0 109.886 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.3 t -92.76 123.44 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.29 0 O-C-N 120.909 -1.119 . . . . 0.0 112.21 -177.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.8 tp -94.2 128.38 40.6 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 176.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.5 m -128.29 130.61 48.11 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.5 t -157.29 157.15 33.67 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 118.104 -1.438 . . . . 0.0 111.157 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.2 m -98.26 122.68 41.72 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 93.5 m -120.06 153.98 35.28 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.476 -0.765 . . . . 0.0 111.096 -178.909 -69.994 -77.103 116.38 104.361 2.023 104.873 -115.476 -57.344 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -84.82 141.56 30.38 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 122.268 1.033 . . . . 1.06 110.578 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -81.12 154.83 26.55 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-O 121.839 0.828 . . . . 0.0 110.189 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.1 m -60.12 -40.01 88.23 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.177 -1.046 . . . . 0.03 108.177 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.26 26.5 1.4 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.438 -0.789 . . . . 0.0 109.834 -177.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.77 155.98 3.97 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.52 161.57 24.2 Favored Glycine 0 N--CA 1.503 3.128 0 N-CA-C 106.527 -2.629 . . . . 0.0 106.527 -175.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -116.62 145.95 43.04 Favored 'General case' 0 N--CA 1.505 2.295 0 CA-C-N 119.269 1.534 . . . . 0.0 110.236 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -126.74 146.82 50.08 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 93.6 m -119.86 130.1 54.71 Favored 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.6 p -151.3 167.52 27.61 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.669 -1.269 . . . . 0.0 110.656 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.6 m -138.51 148.92 44.84 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.649 0.737 . . . . 0.0 109.801 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.3 tt -142.8 140.3 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.543 -0.723 . . . . 0.0 109.071 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -81.39 116.53 21.26 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.07 -1.019 . . . . 0.0 109.367 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.0 mt -79.95 -2.92 45.98 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.931 -1.106 . . . . 0.0 108.866 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -59.59 -38.5 81.38 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.833 -1.167 . . . . 0.0 109.846 -178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.3 p -72.48 3.84 4.45 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.209 -0.932 . . . . 0.0 112.27 -178.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.494 ' O ' ' N ' ' A' ' 50' ' ' GLN . 3.4 m -135.91 -5.07 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.51 2.563 0 O-C-N 120.331 -1.481 . . . . 0.0 112.317 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 82.2 mt -114.05 133.39 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.879 0 O-C-N 120.728 -1.233 . . . . 0.0 111.262 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.603 ' OE1' ' NE2' ' A' ' 50' ' ' GLN . 76.4 tt0 -122.3 155.8 35.18 Favored 'General case' 0 N--CA 1.51 2.541 0 N-CA-C 109.094 -0.706 . . . . 1.06 109.094 178.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -102.12 117.88 35.73 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 107.249 -1.389 . . . . 1.02 107.249 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.6 t -111.64 98.3 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.291 0 CA-C-O 122.234 1.016 . . . . 0.0 110.42 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.551 ' OD1' ' CZ ' ' A' ' 76' ' ' ARG . 78.5 m-20 48.56 39.78 13.93 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 115.702 -0.681 . . . . 0.02 111.986 177.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 115.07 -16.87 17.7 Favored Glycine 0 N--CA 1.506 3.357 0 C-N-CA 120.126 -1.035 . . . . 0.0 113.205 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.0 t -121.61 143.66 49.19 Favored 'General case' 0 N--CA 1.507 2.415 0 CA-C-N 120.68 2.24 . . . . 0.0 112.275 -176.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.615 HD21 ' SG ' ' A' ' 73' ' ' CYS . 86.1 mt -79.62 129.98 34.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.653 -0.654 . . . . 0.0 109.343 177.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -125.45 161.59 26.75 Favored 'General case' 0 N--CA 1.507 2.4 0 O-C-N 121.665 -0.647 . . . . 0.0 110.228 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -76.43 80.92 3.15 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.371 -0.83 . . . . 0.0 111.276 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.603 ' NE2' ' OE1' ' A' ' 41' ' ' GLU . 8.7 tt0 -165.73 139.32 3.64 Favored Pre-proline 0 N--CA 1.499 1.99 0 O-C-N 120.956 -1.09 . . . . 0.0 108.355 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -64.36 144.36 85.54 Favored 'Trans proline' 0 N--CA 1.505 2.19 0 C-N-CA 121.531 1.487 . . . . 0.0 112.956 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.458 ' O ' ' OG ' ' A' ' 52' ' ' SER . 1.2 t 174.41 12.36 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.462 -0.774 . . . . 0.67 109.687 178.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.1 m120 58.5 59.74 2.84 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.07 -1.019 . . . . 0.15 109.482 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.463 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 15.7 p90 -60.1 -39.89 87.75 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.421 -0.799 . . . . 0.0 111.286 -178.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.463 ' N ' ' CG ' ' A' ' 54' ' ' PHE . 3.5 tp -57.79 -21.39 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.089 -1.007 . . . . 0.0 110.199 -178.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.38 -31.41 72.56 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.988 -1.07 . . . . 0.02 109.053 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 66.4 p -117.59 18.36 14.24 Favored 'General case' 0 N--CA 1.513 2.712 0 C-N-CA 119.786 -0.765 . . . . 0.08 110.492 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 71.0 m -134.05 155.6 49.73 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.039 -1.038 . . . . 0.0 109.567 179.498 -62.414 -110.885 121.712 103.948 2.019 105.009 -79.428 -72.294 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -141.27 178.48 7.38 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.482 -0.761 . . . . 0.0 110.164 -177.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 47.89 49.95 16.26 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.689 -0.632 . . . . 0.0 111.208 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.6 p -75.31 132.2 40.83 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 177.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -149.23 162.51 39.88 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.777 -1.202 . . . . 0.0 110.469 -178.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.9 tp -85.7 127.53 34.54 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.3 -0.875 . . . . 0.0 108.87 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.8 129.95 54.69 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.31 -150.43 51.87 Favored Glycine 0 N--CA 1.491 2.315 0 C-N-CA 120.005 -1.093 . . . . 0.0 110.73 178.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.89 -39.25 13.16 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.666 -0.902 . . . . 0.0 110.921 -178.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.6 p -133.62 9.11 3.93 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.258 -0.901 . . . . 0.0 112.552 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -99.2 140.07 33.9 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.359 -1.463 . . . . 0.0 111.298 -178.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 70' ' ' ALA . 3.5 tp -109.4 120.07 41.4 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.543 ' N ' HD12 ' A' ' 69' ' ' LEU . . . -105.67 140.53 38.59 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -155.93 174.92 14.63 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.426 -0.796 . . . . 0.0 108.873 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -118.06 132.55 56.36 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.615 ' SG ' HD21 ' A' ' 47' ' ' LEU . 67.4 m -132.62 148.24 52.36 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 120.817 -1.177 . . . . 0.0 111.721 -178.102 -72.294 -79.428 121.712 105.009 2.019 103.948 -110.885 -62.414 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -73.45 133.33 43.67 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 122.112 0.958 . . . . 1.19 111.726 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.9 p -91.66 173.18 8.01 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.551 ' CZ ' ' OD1' ' A' ' 44' ' ' ASP . 53.4 mtt-85 -58.62 -22.49 56.59 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 120.72 -1.238 . . . . 0.04 109.102 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.76 10.1 10.26 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.584 -1.323 . . . . 0.0 110.148 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 65.1 35.44 7.96 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.079 -1.013 . . . . 0.49 111.668 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -120.1 141.36 49.88 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 121.411 -0.805 . . . . 0.0 109.054 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -87.17 124.38 33.22 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.757 -1.215 . . . . 0.0 109.185 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 m -125.72 161.63 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.492 0 O-C-N 121.202 -0.936 . . . . 0.0 109.011 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.9 t -72.15 130.14 40.16 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.872 -1.142 . . . . 0.0 111.165 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.1 t -135.26 157.5 46.76 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 35.9 pttt -155.76 160.24 40.13 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 122.081 0.943 . . . . 0.0 109.906 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.2 tt -148.79 148.11 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 CA-C-O 121.55 0.691 . . . . 0.0 109.154 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -87.71 112.82 22.79 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.496 -0.752 . . . . 0.0 109.946 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.3 mt -67.63 -21.49 65.38 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.162 -0.962 . . . . 0.0 110.009 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -68.19 -13.71 62.44 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.85 -1.156 . . . . 0.0 111.897 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -62.83 -39.91 95.78 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.258 -1.527 . . . . 0.0 113.033 -177.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -138.72 -9.94 1.38 Allowed 'General case' 0 N--CA 1.507 2.379 0 O-C-N 120.725 -1.234 . . . . 0.0 112.308 -176.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.7 mm -84.71 110.25 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 120.604 -1.31 . . . . 0.0 109.076 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -118.76 168.6 10.59 Favored 'General case' 0 N--CA 1.505 2.277 0 CA-C-O 121.909 0.861 . . . . 0.0 110.79 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -111.39 111.07 21.85 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 107.648 -1.241 . . . . 0.93 107.648 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 27.5 mm -113.48 107.0 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.145 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.6 t0 65.67 33.24 8.51 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.262 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.58 1.17 89.27 Favored Glycine 0 N--CA 1.498 2.823 0 O-C-N 120.48 -1.388 . . . . 0.0 110.755 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 23.8 m -118.71 137.4 53.36 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.467 -1.019 . . . . 0.0 109.111 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 60.6 mt -82.26 138.68 34.54 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.088 -1.008 . . . . 0.0 109.77 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -149.36 130.34 14.36 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -70.0 139.78 52.81 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.986 -1.072 . . . . 0.0 108.937 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 . . . . . 0 N--CA 1.497 1.888 0 O-C-N 121.026 -1.046 . . . . 0.0 109.466 179.308 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 203' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 204' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 94.6 mt . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.519 0.676 . . . . 0.0 109.935 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.4 -142.58 44.5 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.551 ' NZ ' ' OE1' ' A' ' 6' ' ' GLN . 22.3 ttpt 78.69 18.69 0.93 Allowed 'General case' 0 N--CA 1.504 2.268 0 CA-C-N 117.642 0.721 . . . . 1.64 110.231 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -46.99 -20.66 0.16 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.362 -0.836 . . . . 0.0 110.212 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.5 p -70.09 -13.25 62.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 120.443 -1.411 . . . . 0.0 111.058 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.551 ' OE1' ' NZ ' ' A' ' 3' ' ' LYS . 63.3 tt0 -71.62 -27.62 63.22 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.732 -1.23 . . . . 0.73 110.25 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.5 p -126.65 19.2 7.33 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.31 -0.869 . . . . 0.07 110.798 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 64.2 m -130.11 153.67 48.26 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 120.939 -1.101 . . . . 0.0 108.428 178.632 -57.344 -115.476 116.38 104.873 2.023 104.361 -77.103 -69.994 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -147.46 172.09 14.49 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.969 -1.082 . . . . 0.0 110.129 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 56.26 35.67 26.17 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.354 -0.842 . . . . 0.0 109.484 -178.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.8 m -67.69 144.37 55.51 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.302 -0.873 . . . . 0.0 109.737 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -144.87 154.45 42.64 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-O 121.403 0.621 . . . . 0.0 109.465 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 58.7 mt -134.21 134.42 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 CA-C-O 121.842 0.829 . . . . 0.0 109.73 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -135.75 111.88 9.67 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.06 -118.12 7.88 Favored Glycine 0 N--CA 1.483 1.778 0 N-CA-C 107.912 -2.075 . . . . 0.0 107.912 -178.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.7 p -111.61 4.24 18.52 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.247 -1.149 . . . . 0.0 109.886 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.3 t -92.76 123.44 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.29 0 O-C-N 120.909 -1.119 . . . . 0.0 112.21 -177.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.8 tp -94.2 128.38 40.6 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 176.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.5 m -128.29 130.61 48.11 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.5 t -157.29 157.15 33.67 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 118.104 -1.438 . . . . 0.0 111.157 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.2 m -98.26 122.68 41.72 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 93.5 m -120.06 153.98 35.28 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.476 -0.765 . . . . 0.0 111.096 -178.909 -69.994 -77.103 116.38 104.361 2.023 104.873 -115.476 -57.344 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -84.82 141.56 30.38 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-O 122.268 1.033 . . . . 1.06 110.578 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -81.12 154.83 26.55 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-O 121.839 0.828 . . . . 0.0 110.189 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.1 m -60.12 -40.01 88.23 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.177 -1.046 . . . . 0.03 108.177 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.26 26.5 1.4 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.438 -0.789 . . . . 0.0 109.834 -177.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.77 155.98 3.97 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.52 161.57 24.2 Favored Glycine 0 N--CA 1.503 3.128 0 N-CA-C 106.527 -2.629 . . . . 0.0 106.527 -175.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -116.62 145.95 43.04 Favored 'General case' 0 N--CA 1.505 2.295 0 CA-C-N 119.269 1.534 . . . . 0.0 110.236 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -126.74 146.82 50.08 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 93.6 m -119.86 130.1 54.71 Favored 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.6 p -151.3 167.52 27.61 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.669 -1.269 . . . . 0.0 110.656 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.6 m -138.51 148.92 44.84 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.649 0.737 . . . . 0.0 109.801 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.3 tt -142.8 140.3 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.543 -0.723 . . . . 0.0 109.071 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -81.39 116.53 21.26 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.07 -1.019 . . . . 0.0 109.367 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.0 mt -79.95 -2.92 45.98 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.931 -1.106 . . . . 0.0 108.866 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -59.59 -38.5 81.38 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 120.833 -1.167 . . . . 0.0 109.846 -178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.3 p -72.48 3.84 4.45 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.209 -0.932 . . . . 0.0 112.27 -178.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.494 ' O ' ' N ' ' A' ' 50' ' ' GLN . 3.4 m -135.91 -5.07 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.51 2.563 0 O-C-N 120.331 -1.481 . . . . 0.0 112.317 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 82.2 mt -114.05 133.39 60.22 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.879 0 O-C-N 120.728 -1.233 . . . . 0.0 111.262 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.603 ' OE1' ' NE2' ' A' ' 50' ' ' GLN . 76.4 tt0 -122.3 155.8 35.18 Favored 'General case' 0 N--CA 1.51 2.541 0 N-CA-C 109.094 -0.706 . . . . 1.06 109.094 178.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -102.12 117.88 35.73 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 107.249 -1.389 . . . . 1.02 107.249 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.6 t -111.64 98.3 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.291 0 CA-C-O 122.234 1.016 . . . . 0.0 110.42 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.551 ' OD1' ' CZ ' ' A' ' 76' ' ' ARG . 78.5 m-20 48.56 39.78 13.93 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 115.702 -0.681 . . . . 0.02 111.986 177.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 115.07 -16.87 17.7 Favored Glycine 0 N--CA 1.506 3.357 0 C-N-CA 120.126 -1.035 . . . . 0.0 113.205 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.0 t -121.61 143.66 49.19 Favored 'General case' 0 N--CA 1.507 2.415 0 CA-C-N 120.68 2.24 . . . . 0.0 112.275 -176.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.615 HD21 ' SG ' ' A' ' 73' ' ' CYS . 86.1 mt -79.62 129.98 34.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.653 -0.654 . . . . 0.0 109.343 177.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -125.45 161.59 26.75 Favored 'General case' 0 N--CA 1.507 2.4 0 O-C-N 121.665 -0.647 . . . . 0.0 110.228 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -76.43 80.92 3.15 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.371 -0.83 . . . . 0.0 111.276 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.603 ' NE2' ' OE1' ' A' ' 41' ' ' GLU . 8.7 tt0 -165.73 139.32 3.64 Favored Pre-proline 0 N--CA 1.499 1.99 0 O-C-N 120.956 -1.09 . . . . 0.0 108.355 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -64.36 144.36 85.54 Favored 'Trans proline' 0 N--CA 1.505 2.19 0 C-N-CA 121.531 1.487 . . . . 0.0 112.956 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.458 ' O ' ' OG ' ' A' ' 52' ' ' SER . 1.2 t 174.41 12.36 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.462 -0.774 . . . . 0.67 109.687 178.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 58.5 59.74 2.84 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.07 -1.019 . . . . 0.15 109.482 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.463 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 15.7 p90 -60.1 -39.89 87.75 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.421 -0.799 . . . . 0.0 111.286 -178.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.463 ' N ' ' CG ' ' A' ' 54' ' ' PHE . 3.5 tp -57.79 -21.39 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.089 -1.007 . . . . 0.0 110.199 -178.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.38 -31.41 72.56 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.988 -1.07 . . . . 0.02 109.053 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 66.4 p -117.59 18.36 14.24 Favored 'General case' 0 N--CA 1.513 2.712 0 C-N-CA 119.786 -0.765 . . . . 0.08 110.492 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 71.0 m -134.05 155.6 49.73 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.039 -1.038 . . . . 0.0 109.567 179.498 -62.414 -110.885 121.712 103.948 2.019 105.009 -79.428 -72.294 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -141.27 178.48 7.38 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.482 -0.761 . . . . 0.0 110.164 -177.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 47.89 49.95 16.26 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.689 -0.632 . . . . 0.0 111.208 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.6 p -75.31 132.2 40.83 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 177.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -149.23 162.51 39.88 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.777 -1.202 . . . . 0.0 110.469 -178.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.9 tp -85.7 127.53 34.54 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.3 -0.875 . . . . 0.0 108.87 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.8 129.95 54.69 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.31 -150.43 51.87 Favored Glycine 0 N--CA 1.491 2.315 0 C-N-CA 120.005 -1.093 . . . . 0.0 110.73 178.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.89 -39.25 13.16 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.666 -0.902 . . . . 0.0 110.921 -178.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.6 p -133.62 9.11 3.93 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.258 -0.901 . . . . 0.0 112.552 -177.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -99.2 140.07 33.9 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.359 -1.463 . . . . 0.0 111.298 -178.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 70' ' ' ALA . 3.5 tp -109.4 120.07 41.4 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.543 ' N ' HD12 ' A' ' 69' ' ' LEU . . . -105.67 140.53 38.59 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -155.93 174.92 14.63 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.426 -0.796 . . . . 0.0 108.873 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -118.06 132.55 56.36 Favored 'General case' 0 N--CA 1.494 1.725 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.615 ' SG ' HD21 ' A' ' 47' ' ' LEU . 67.4 m -132.62 148.24 52.36 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 120.817 -1.177 . . . . 0.0 111.721 -178.102 -72.294 -79.428 121.712 105.009 2.019 103.948 -110.885 -62.414 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -73.45 133.33 43.67 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 122.112 0.958 . . . . 1.19 111.726 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.9 p -91.66 173.18 8.01 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.551 ' CZ ' ' OD1' ' A' ' 44' ' ' ASP . 53.4 mtt-85 -58.62 -22.49 56.59 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 120.72 -1.238 . . . . 0.04 109.102 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.76 10.1 10.26 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.584 -1.323 . . . . 0.0 110.148 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 65.1 35.44 7.96 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.079 -1.013 . . . . 0.49 111.668 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -120.1 141.36 49.88 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 121.411 -0.805 . . . . 0.0 109.054 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -87.17 124.38 33.22 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 120.757 -1.215 . . . . 0.0 109.185 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 m -125.72 161.63 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.492 0 O-C-N 121.202 -0.936 . . . . 0.0 109.011 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.9 t -72.15 130.14 40.16 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.872 -1.142 . . . . 0.0 111.165 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.1 t -135.26 157.5 46.76 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 35.9 pttt -155.76 160.24 40.13 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 122.081 0.943 . . . . 0.0 109.906 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.2 tt -148.79 148.11 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 CA-C-O 121.55 0.691 . . . . 0.0 109.154 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -87.71 112.82 22.79 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.496 -0.752 . . . . 0.0 109.946 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.3 mt -67.63 -21.49 65.38 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.162 -0.962 . . . . 0.0 110.009 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -68.19 -13.71 62.44 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.85 -1.156 . . . . 0.0 111.897 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -62.83 -39.91 95.78 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.258 -1.527 . . . . 0.0 113.033 -177.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -138.72 -9.94 1.38 Allowed 'General case' 0 N--CA 1.507 2.379 0 O-C-N 120.725 -1.234 . . . . 0.0 112.308 -176.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.7 mm -84.71 110.25 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 120.604 -1.31 . . . . 0.0 109.076 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -118.76 168.6 10.59 Favored 'General case' 0 N--CA 1.505 2.277 0 CA-C-O 121.909 0.861 . . . . 0.0 110.79 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -111.39 111.07 21.85 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 107.648 -1.241 . . . . 0.93 107.648 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 27.5 mm -113.48 107.0 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.145 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.6 t0 65.67 33.24 8.51 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.262 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.58 1.17 89.27 Favored Glycine 0 N--CA 1.498 2.823 0 O-C-N 120.48 -1.388 . . . . 0.0 110.755 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 23.8 m -118.71 137.4 53.36 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.467 -1.019 . . . . 0.0 109.111 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 60.6 mt -82.26 138.68 34.54 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.088 -1.008 . . . . 0.0 109.77 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -149.36 130.34 14.36 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -70.0 139.78 52.81 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.986 -1.072 . . . . 0.0 108.937 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 . . . . . 0 N--CA 1.497 1.888 0 O-C-N 121.026 -1.046 . . . . 0.0 109.466 179.308 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_