data_1bj8_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 1bj8 _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' ' ' MET . . . . . . . . . . . . . 17.0 mmt . . . . . 0 N--CA 1.487 1.379 0 N-CA-C 115.22 1.563 . . . . 12.0 115.22 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -125.41 -103.41 0.36 Allowed 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 113.98 1.104 . . . . 12.0 113.98 -172.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.49 -169.79 2.17 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.355 1.062 . . . . 12.0 110.357 -172.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -127.85 125.69 65.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 C-N-CA 125.476 1.51 . . . . 12.0 108.363 172.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.7 pttt -156.7 136.65 8.6 Favored Pre-proline 0 N--CA 1.486 1.348 0 N-CA-C 114.134 1.161 . . . . 12.0 114.134 -176.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -79.04 77.31 4.15 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.4 2.067 . . . . 12.0 113.339 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 3.95 138.21 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.692 0 N-CA-C 119.634 3.198 . . . . 12.0 119.634 175.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -49.65 138.82 32.08 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 123.638 2.892 . . . . 12.0 115.226 -174.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -81.02 68.28 8.37 Favored 'Trans proline' 0 CA--C 1.545 1.035 0 C-N-CA 123.02 2.48 . . . . 12.0 108.719 170.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -68.42 -174.33 0.52 Allowed 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 112.357 -2.201 . . . . 12.0 114.35 -165.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 53.95 50.18 17.34 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 125.303 1.441 . . . . 12.0 114.167 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.6 tp -80.3 107.92 13.49 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 113.57 -1.65 . . . . 12.0 112.114 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.4 t -123.13 148.45 45.69 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 114.548 -1.206 . . . . 12.0 112.874 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 m -106.31 31.16 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 N-CA-C 114.939 1.459 . . . . 12.0 114.939 -173.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.8 pt -47.77 117.44 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 N-CA-C 114.559 1.318 . . . . 12.0 114.559 -172.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -86.42 138.53 31.7 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 114.456 -1.247 . . . . 12.0 113.466 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.4 t -80.4 85.22 5.9 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 113.818 -1.537 . . . . 12.0 110.482 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 31.31 -79.17 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 129.551 3.141 . . . . 12.0 116.462 -175.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -92.82 -17.16 24.45 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 116.434 2.013 . . . . 12.0 116.434 -174.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.5 mt -71.37 88.12 0.87 Allowed 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 115.557 1.688 . . . . 12.0 115.557 -170.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.6 m -72.99 18.02 0.11 Allowed 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 113.009 -1.905 . . . . 12.0 115.39 176.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.1 m -126.74 -7.4 6.18 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.735 1.214 . . . . 12.0 112.718 177.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.8 mt -138.43 138.29 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.29 1.036 . . . . 12.0 111.204 -167.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -123.43 134.66 53.92 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 113.868 -1.515 . . . . 12.0 108.424 163.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -93.08 108.71 20.24 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 122.542 1.163 . . . . 12.0 108.868 172.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.1 tp -85.25 107.82 17.47 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 112.732 -2.031 . . . . 12.0 109.499 177.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.4 p -108.94 140.86 41.86 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 113.73 -1.577 . . . . 12.0 111.065 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 41.4 p90 -146.68 170.78 16.25 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 124.658 1.224 . . . . 12.0 112.188 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.0 m -119.38 107.47 13.4 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 115.134 -0.939 . . . . 12.0 110.242 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -49.08 150.66 2.71 Favored Pre-proline 0 N--CA 1.483 1.202 0 CA-C-N 113.741 -1.572 . . . . 12.0 112.783 174.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -35.2 -55.58 0.58 Allowed 'Trans proline' 0 N--CA 1.483 0.908 0 C-N-CA 125.076 3.85 . . . . 12.0 116.441 -174.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.6 p 175.81 -35.57 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 126.916 2.086 . . . . 12.0 112.057 -175.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.2 mt -37.2 137.23 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 127.427 2.291 . . . . 12.0 113.603 177.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.4 mtmt -98.31 -144.26 0.31 Allowed 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 113.982 -1.463 . . . . 12.0 114.172 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.1 p -75.5 38.97 0.15 Allowed 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 117.661 2.467 . . . . 12.0 117.661 -165.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -157.35 -173.44 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.155 1.382 . . . . 12.0 108.573 177.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . 0.353 0.7 OUTLIER 49.06 103.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 N-CA-C 116.11 1.893 . . . . 12.0 116.11 178.428 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.2 mt -61.64 123.77 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 112.343 -2.208 . . . . 12.0 110.374 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.6 mp -105.31 136.74 44.29 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 114.293 -1.321 . . . . 12.0 112.214 167.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -112.07 127.77 56.0 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 113.166 -1.834 . . . . 12.0 109.504 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -120.52 135.9 54.94 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 114.014 -1.448 . . . . 12.0 112.534 -170.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -102.95 101.6 11.62 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 113.259 -1.791 . . . . 12.0 108.863 171.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.6 mt -103.45 105.67 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 107.662 -1.236 . . . . 12.0 107.662 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -99.43 131.92 45.11 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.684 -0.689 . . . . 12.0 110.982 176.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -115.94 160.81 19.73 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.678 -1.146 . . . . 12.0 111.012 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.83 169.7 2.92 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 125.192 1.557 . . . . 12.0 110.793 166.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.5 t -70.92 147.77 48.42 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 115.59 -0.732 . . . . 12.0 111.305 170.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -43.45 -33.09 1.0 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.904 2.082 . . . . 12.0 115.564 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -105.95 15.56 26.39 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.547 1.314 . . . . 12.0 114.547 -175.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.3 143.39 27.05 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.921 0.867 . . . . 12.0 112.888 -178.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 m -67.45 -55.15 14.79 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 114.762 -1.108 . . . . 12.0 113.173 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.6 p -120.71 156.3 32.07 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.59 1.156 . . . . 12.0 112.187 -177.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 47.3 m95 -86.82 147.05 25.98 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.035 1.494 . . . . 12.0 115.035 -170.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.1 t -96.9 -152.51 0.39 Allowed 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 113.94 -1.482 . . . . 12.0 108.789 174.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -156.22 136.1 12.66 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 117.957 2.577 . . . . 12.0 117.957 -168.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.8 mm -110.18 99.0 37.94 Favored Pre-proline 0 N--CA 1.479 1.011 0 N-CA-C 104.292 -2.484 . . . . 12.0 104.292 158.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -61.11 146.48 97.56 Favored 'Trans proline' 0 C--O 1.24 0.58 0 C-N-CA 123.633 2.888 . . . . 12.0 112.913 -174.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -67.81 77.21 0.57 Allowed 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 123.251 2.634 . . . . 12.0 113.44 173.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -120.28 -63.51 1.35 Allowed 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 112.677 -2.056 . . . . 12.0 109.618 174.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.67 -48.35 82.03 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.908 -0.775 . . . . 12.0 108.908 164.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.3 p -88.18 43.13 1.1 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 113.401 -1.727 . . . . 12.0 114.309 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -117.23 13.98 14.74 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 113.763 -1.562 . . . . 12.0 113.374 175.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.4 t -164.61 81.72 0.39 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.072 0.949 . . . . 12.0 110.604 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.1 m 36.63 97.88 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 126.909 2.084 . . . . 12.0 114.163 171.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.3 mmt-85 -102.22 -56.35 2.28 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 118.048 2.61 . . . . 12.0 118.048 -166.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . 0.307 83.6 p 61.12 -14.21 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 116.925 2.195 . . . . 12.0 116.925 -171.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.7 p -150.96 152.43 33.55 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.536 0.735 . . . . 12.0 112.394 171.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -154.83 120.41 5.09 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 114.156 -1.384 . . . . 12.0 112.493 170.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.6 m -79.04 96.5 5.8 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 113.625 -1.625 . . . . 12.0 109.091 176.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.9 t -81.65 126.01 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 115.193 -0.912 . . . . 12.0 109.222 -175.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -117.99 163.24 16.88 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 113.505 -1.68 . . . . 12.0 110.715 -173.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 71.85 50.03 0.25 Allowed 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 126.191 1.796 . . . . 12.0 114.068 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 mp -108.21 138.75 43.96 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 114.947 -1.024 . . . . 12.0 110.841 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -58.32 125.29 74.86 Favored Pre-proline 0 N--CA 1.48 1.026 0 CA-C-N 115.082 -0.963 . . . . 12.0 110.388 175.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -61.85 150.69 85.03 Favored 'Trans proline' 0 N--CA 1.48 0.734 0 C-N-CA 123.657 2.904 . . . . 12.0 113.64 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . 0.269 5.8 p90 62.31 -11.0 0.08 Allowed 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 128.091 2.556 . . . . 12.0 116.9 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 87.2 m -95.8 140.54 30.43 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.385 1.074 . . . . 12.0 109.615 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -78.18 119.15 21.16 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 113.838 -1.528 . . . . 12.0 111.996 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -107.64 131.43 54.39 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 113.319 -1.764 . . . . 12.0 110.403 171.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -118.81 136.64 55.35 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 112.253 -2.249 . . . . 12.0 111.553 -169.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -120.23 144.74 47.59 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 112.907 -1.951 . . . . 12.0 111.762 -172.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -138.83 122.4 17.37 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 114.255 -1.339 . . . . 12.0 109.692 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 16.1 tt -130.72 144.91 36.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 N-CA-C 114.926 1.454 . . . . 12.0 114.926 -175.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -147.74 156.44 42.75 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 114.227 -1.352 . . . . 12.0 112.758 162.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 24.4 p -118.47 146.18 44.69 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 125.006 1.442 . . . . 12.0 113.465 -172.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.9 ptt? -130.42 149.61 52.02 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.095 -1.412 . . . . 12.0 111.497 165.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -72.92 143.96 47.51 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 114.068 -1.424 . . . . 12.0 110.029 173.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -28.24 129.67 0.06 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 126.758 2.023 . . . . 12.0 114.297 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 119.76 -157.07 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 131.057 3.743 . . . . 12.0 110.104 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -117.67 -2.14 17.2 Favored Glycine 0 N--CA 1.488 2.117 0 C-N-CA 123.747 0.689 . . . . 12.0 113.415 171.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -68.92 -15.03 63.38 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.227 1.811 . . . . 12.0 113.891 -176.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -46.27 102.34 0.04 OUTLIER Glycine 0 N--CA 1.479 1.514 0 C-N-CA 126.049 1.785 . . . . 12.0 115.599 -172.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -77.13 90.53 3.66 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 106.72 -1.585 . . . . 12.0 106.72 170.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -39.78 135.44 1.23 Allowed 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 116.775 2.139 . . . . 12.0 116.775 -168.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.2 p -73.71 128.5 35.66 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 113.059 -1.882 . . . . 12.0 108.627 166.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -54.65 111.68 0.86 Allowed 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 114.418 -1.265 . . . . 12.0 109.564 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -5.39 128.23 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 116.593 2.071 . . . . 12.0 116.593 -176.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.0 t -47.67 -60.93 2.2 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 114.823 -1.081 . . . . 12.0 111.639 175.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 170.19 177.44 0.05 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 128.739 2.816 . . . . 12.0 108.083 169.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -91.46 132.32 36.32 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 114.197 -1.365 . . . . 12.0 108.012 167.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -122.15 129.96 52.79 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 124.006 0.816 . . . . 12.0 110.355 171.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.9 m -120.3 114.13 21.41 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 114.521 -1.218 . . . . 12.0 111.739 -171.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -122.19 134.57 9.85 Favored Glycine 0 N--CA 1.48 1.62 0 O-C-N 124.52 1.137 . . . . 12.0 114.691 -174.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 32.5 mt -98.38 124.42 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 112.814 -1.693 . . . . 12.0 107.875 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.53 66.53 1.92 Allowed 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 114.034 -1.439 . . . . 12.0 112.815 176.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.6 t80 33.49 -124.53 0.08 Allowed 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 127.824 2.449 . . . . 12.0 113.399 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -140.64 137.24 33.46 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.143 0.977 . . . . 12.0 110.058 173.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -62.89 -47.84 81.57 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.92 1.082 . . . . 12.0 113.92 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 . . . . . 0 C--O 1.253 1.273 0 CA-C-O 116.972 -1.49 . . . . 12.0 113.2 176.612 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 mmt . . . . . 0 N--CA 1.487 1.379 0 N-CA-C 115.22 1.563 . . . . 12.0 115.22 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -125.41 -103.41 0.36 Allowed 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 113.98 1.104 . . . . 12.0 113.98 -172.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.49 -169.79 2.17 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.355 1.062 . . . . 12.0 110.357 -172.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -127.85 125.69 65.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 C-N-CA 125.476 1.51 . . . . 12.0 108.363 172.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.7 pttt -156.7 136.65 8.6 Favored Pre-proline 0 N--CA 1.486 1.348 0 N-CA-C 114.134 1.161 . . . . 12.0 114.134 -176.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.407 ' HD2' ' O ' ' A' ' 93' ' ' TYR . 85.9 Cg_endo -79.04 77.31 4.15 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.4 2.067 . . . . 12.0 113.339 175.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.469 ' O ' ' HG3' ' A' ' 31' ' ' PRO . 81.6 m-20 3.95 138.21 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.692 0 N-CA-C 119.634 3.198 . . . . 12.0 119.634 175.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 7' ' ' ASN . 91.2 Cg_exo -49.65 138.82 32.08 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 123.638 2.892 . . . . 12.0 115.226 -174.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.428 ' HD3' ' SG ' ' A' ' 85' ' ' CYS . 95.1 Cg_endo -81.02 68.28 8.37 Favored 'Trans proline' 0 CA--C 1.545 1.035 0 C-N-CA 123.02 2.48 . . . . 12.0 108.719 170.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -68.42 -174.33 0.52 Allowed 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 112.357 -2.201 . . . . 12.0 114.35 -165.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.1 m120 53.95 50.18 17.34 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 125.303 1.441 . . . . 12.0 114.167 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.597 HD22 HG22 ' A' ' 83' ' ' ILE . 20.6 tp -80.3 107.92 13.49 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 113.57 -1.65 . . . . 12.0 112.114 -176.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.4 t -123.13 148.45 45.69 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 114.548 -1.206 . . . . 12.0 112.874 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.549 HG13 ' HB1' ' A' ' 101' ' ' ALA . 3.0 m -106.31 31.16 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 N-CA-C 114.939 1.459 . . . . 12.0 114.939 -173.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.8 pt -47.77 117.44 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 N-CA-C 114.559 1.318 . . . . 12.0 114.559 -172.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.43 ' HB3' HD13 ' A' ' 24' ' ' LEU . 6.2 p30 -86.42 138.53 31.7 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 114.456 -1.247 . . . . 12.0 113.466 -178.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.4 t -80.4 85.22 5.9 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 113.818 -1.537 . . . . 12.0 110.482 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 31.31 -79.17 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 129.551 3.141 . . . . 12.0 116.462 -175.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -92.82 -17.16 24.45 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 116.434 2.013 . . . . 12.0 116.434 -174.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.5 mt -71.37 88.12 0.87 Allowed 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 115.557 1.688 . . . . 12.0 115.557 -170.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.6 m -72.99 18.02 0.11 Allowed 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 113.009 -1.905 . . . . 12.0 115.39 176.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.1 m -126.74 -7.4 6.18 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.735 1.214 . . . . 12.0 112.718 177.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.8 mt -138.43 138.29 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.29 1.036 . . . . 12.0 111.204 -167.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.716 HD23 HD22 ' A' ' 73' ' ' LEU . 3.7 mm? -123.43 134.66 53.92 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 113.868 -1.515 . . . . 12.0 108.424 163.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -93.08 108.71 20.24 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 122.542 1.163 . . . . 12.0 108.868 172.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.1 tp -85.25 107.82 17.47 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 112.732 -2.031 . . . . 12.0 109.499 177.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.4 p -108.94 140.86 41.86 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 113.73 -1.577 . . . . 12.0 111.065 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 41.4 p90 -146.68 170.78 16.25 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 124.658 1.224 . . . . 12.0 112.188 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.0 m -119.38 107.47 13.4 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 115.134 -0.939 . . . . 12.0 110.242 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -49.08 150.66 2.71 Favored Pre-proline 0 N--CA 1.483 1.202 0 CA-C-N 113.741 -1.572 . . . . 12.0 112.783 174.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.469 ' HG3' ' O ' ' A' ' 7' ' ' ASN . 90.3 Cg_exo -35.2 -55.58 0.58 Allowed 'Trans proline' 0 N--CA 1.483 0.908 0 C-N-CA 125.076 3.85 . . . . 12.0 116.441 -174.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.6 p 175.81 -35.57 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 126.916 2.086 . . . . 12.0 112.057 -175.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.451 HG21 HG22 ' A' ' 37' ' ' ILE . 48.2 mt -37.2 137.23 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 127.427 2.291 . . . . 12.0 113.603 177.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.447 ' HB3' ' H ' ' A' ' 35' ' ' SER . 31.4 mtmt -98.31 -144.26 0.31 Allowed 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 113.982 -1.463 . . . . 12.0 114.172 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.447 ' H ' ' HB3' ' A' ' 34' ' ' LYS . 29.1 p -75.5 38.97 0.15 Allowed 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 117.661 2.467 . . . . 12.0 117.661 -165.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -157.35 -173.44 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.155 1.382 . . . . 12.0 108.573 177.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.451 HG22 HG21 ' A' ' 33' ' ' ILE 0.353 0.7 OUTLIER 49.06 103.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 N-CA-C 116.11 1.893 . . . . 12.0 116.11 178.428 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.427 HG23 ' HA ' ' A' ' 63' ' ' SER . 73.2 mt -61.64 123.77 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 112.343 -2.208 . . . . 12.0 110.374 178.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.6 mp -105.31 136.74 44.29 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 114.293 -1.321 . . . . 12.0 112.214 167.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -112.07 127.77 56.0 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 113.166 -1.834 . . . . 12.0 109.504 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.633 ' HB2' ' HB ' ' A' ' 61' ' ' THR . 53.6 m-85 -120.52 135.9 54.94 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 114.014 -1.448 . . . . 12.0 112.534 -170.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -102.95 101.6 11.62 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 113.259 -1.791 . . . . 12.0 108.863 171.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.906 HD11 HG21 ' A' ' 61' ' ' THR . 2.6 mt -103.45 105.67 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 107.662 -1.236 . . . . 12.0 107.662 176.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -99.43 131.92 45.11 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.684 -0.689 . . . . 12.0 110.982 176.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -115.94 160.81 19.73 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.678 -1.146 . . . . 12.0 111.012 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.429 HH11 ' HG3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -175.83 169.7 2.92 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 125.192 1.557 . . . . 12.0 110.793 166.522 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.5 t -70.92 147.77 48.42 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 115.59 -0.732 . . . . 12.0 111.305 170.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -43.45 -33.09 1.0 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.904 2.082 . . . . 12.0 115.564 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -105.95 15.56 26.39 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.547 1.314 . . . . 12.0 114.547 -175.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.3 143.39 27.05 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.921 0.867 . . . . 12.0 112.888 -178.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 m -67.45 -55.15 14.79 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 114.762 -1.108 . . . . 12.0 113.173 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.6 p -120.71 156.3 32.07 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.59 1.156 . . . . 12.0 112.187 -177.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.577 ' HH2' HG22 ' A' ' 80' ' ' VAL . 47.3 m95 -86.82 147.05 25.98 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.035 1.494 . . . . 12.0 115.035 -170.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.1 t -96.9 -152.51 0.39 Allowed 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 113.94 -1.482 . . . . 12.0 108.789 174.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -156.22 136.1 12.66 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 117.957 2.577 . . . . 12.0 117.957 -168.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' A' ' 43' ' ' ILE . 46.8 mm -110.18 99.0 37.94 Favored Pre-proline 0 N--CA 1.479 1.011 0 N-CA-C 104.292 -2.484 . . . . 12.0 104.292 158.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -61.11 146.48 97.56 Favored 'Trans proline' 0 C--O 1.24 0.58 0 C-N-CA 123.633 2.888 . . . . 12.0 112.913 -174.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -67.81 77.21 0.57 Allowed 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 123.251 2.634 . . . . 12.0 113.44 173.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -120.28 -63.51 1.35 Allowed 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 112.677 -2.056 . . . . 12.0 109.618 174.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.67 -48.35 82.03 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.908 -0.775 . . . . 12.0 108.908 164.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.906 HG21 HD11 ' A' ' 43' ' ' ILE . 4.3 p -88.18 43.13 1.1 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 113.401 -1.727 . . . . 12.0 114.309 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -117.23 13.98 14.74 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 113.763 -1.562 . . . . 12.0 113.374 175.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.427 ' HA ' HG23 ' A' ' 38' ' ' ILE . 19.4 t -164.61 81.72 0.39 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.072 0.949 . . . . 12.0 110.604 176.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.1 m 36.63 97.88 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 126.909 2.084 . . . . 12.0 114.163 171.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.436 ' HG3' ' HA ' ' A' ' 61' ' ' THR . 6.3 mmt-85 -102.22 -56.35 2.28 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 118.048 2.61 . . . . 12.0 118.048 -166.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . 0.307 83.6 p 61.12 -14.21 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 116.925 2.195 . . . . 12.0 116.925 -171.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.7 p -150.96 152.43 33.55 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.536 0.735 . . . . 12.0 112.394 171.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -154.83 120.41 5.09 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 114.156 -1.384 . . . . 12.0 112.493 170.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.6 m -79.04 96.5 5.8 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 113.625 -1.625 . . . . 12.0 109.091 176.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.455 HG12 HD11 ' A' ' 73' ' ' LEU . 14.9 t -81.65 126.01 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 115.193 -0.912 . . . . 12.0 109.222 -175.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -117.99 163.24 16.88 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 113.505 -1.68 . . . . 12.0 110.715 -173.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 71.85 50.03 0.25 Allowed 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 126.191 1.796 . . . . 12.0 114.068 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.716 HD22 HD23 ' A' ' 24' ' ' LEU . 6.2 mp -108.21 138.75 43.96 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 114.947 -1.024 . . . . 12.0 110.841 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.478 ' HB3' ' HE1' ' A' ' 79' ' ' TYR . 20.7 ttmm -58.32 125.29 74.86 Favored Pre-proline 0 N--CA 1.48 1.026 0 CA-C-N 115.082 -0.963 . . . . 12.0 110.388 175.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.405 ' HB2' ' HB3' ' A' ' 108' ' ' ASP . 57.3 Cg_endo -61.85 150.69 85.03 Favored 'Trans proline' 0 N--CA 1.48 0.734 0 C-N-CA 123.657 2.904 . . . . 12.0 113.64 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . 0.269 5.8 p90 62.31 -11.0 0.08 Allowed 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 128.091 2.556 . . . . 12.0 116.9 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 87.2 m -95.8 140.54 30.43 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.385 1.074 . . . . 12.0 109.615 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -78.18 119.15 21.16 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 113.838 -1.528 . . . . 12.0 111.996 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.527 ' HB2' HD23 ' A' ' 73' ' ' LEU . 13.6 m-85 -107.64 131.43 54.39 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 113.319 -1.764 . . . . 12.0 110.403 171.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.577 HG22 ' HH2' ' A' ' 53' ' ' TRP . 0.3 OUTLIER -118.81 136.64 55.35 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 112.253 -2.249 . . . . 12.0 111.553 -169.507 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.463 ' HZ ' HD21 ' A' ' 73' ' ' LEU . 70.6 m-85 -120.23 144.74 47.59 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 112.907 -1.951 . . . . 12.0 111.762 -172.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -138.83 122.4 17.37 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 114.255 -1.339 . . . . 12.0 109.692 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.597 HG22 HD22 ' A' ' 12' ' ' LEU . 16.1 tt -130.72 144.91 36.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 N-CA-C 114.926 1.454 . . . . 12.0 114.926 -175.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -147.74 156.44 42.75 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 114.227 -1.352 . . . . 12.0 112.758 162.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.428 ' SG ' ' HD3' ' A' ' 9' ' ' PRO . 24.4 p -118.47 146.18 44.69 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 125.006 1.442 . . . . 12.0 113.465 -172.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.9 ptt? -130.42 149.61 52.02 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.095 -1.412 . . . . 12.0 111.497 165.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -72.92 143.96 47.51 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 114.068 -1.424 . . . . 12.0 110.029 173.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -28.24 129.67 0.06 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 126.758 2.023 . . . . 12.0 114.297 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.416 ' HB3' ' H ' ' A' ' 90' ' ' GLY . 1.3 m-20 119.76 -157.07 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 131.057 3.743 . . . . 12.0 110.104 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.416 ' H ' ' HB3' ' A' ' 89' ' ' ASP . . . -117.67 -2.14 17.2 Favored Glycine 0 N--CA 1.488 2.117 0 C-N-CA 123.747 0.689 . . . . 12.0 113.415 171.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -68.92 -15.03 63.38 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.227 1.811 . . . . 12.0 113.891 -176.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -46.27 102.34 0.04 OUTLIER Glycine 0 N--CA 1.479 1.514 0 C-N-CA 126.049 1.785 . . . . 12.0 115.599 -172.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.407 ' O ' ' HD2' ' A' ' 6' ' ' PRO . 71.0 m-85 -77.13 90.53 3.66 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 106.72 -1.585 . . . . 12.0 106.72 170.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -39.78 135.44 1.23 Allowed 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 116.775 2.139 . . . . 12.0 116.775 -168.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.2 p -73.71 128.5 35.66 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 113.059 -1.882 . . . . 12.0 108.627 166.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -54.65 111.68 0.86 Allowed 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 114.418 -1.265 . . . . 12.0 109.564 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -5.39 128.23 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 116.593 2.071 . . . . 12.0 116.593 -176.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.413 ' HA ' ' HB3' ' A' ' 8' ' ' PRO . 8.0 t -47.67 -60.93 2.2 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 114.823 -1.081 . . . . 12.0 111.639 175.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 170.19 177.44 0.05 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 128.739 2.816 . . . . 12.0 108.083 169.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -91.46 132.32 36.32 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 114.197 -1.365 . . . . 12.0 108.012 167.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.549 ' HB1' HG13 ' A' ' 14' ' ' VAL . . . -122.15 129.96 52.79 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 124.006 0.816 . . . . 12.0 110.355 171.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.9 m -120.3 114.13 21.41 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 114.521 -1.218 . . . . 12.0 111.739 -171.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -122.19 134.57 9.85 Favored Glycine 0 N--CA 1.48 1.62 0 O-C-N 124.52 1.137 . . . . 12.0 114.691 -174.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 32.5 mt -98.38 124.42 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 112.814 -1.693 . . . . 12.0 107.875 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.48 HG23 ' CD2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -75.53 66.53 1.92 Allowed 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 114.034 -1.439 . . . . 12.0 112.815 176.503 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.6 t80 33.49 -124.53 0.08 Allowed 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 127.824 2.449 . . . . 12.0 113.399 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -140.64 137.24 33.46 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.143 0.977 . . . . 12.0 110.058 173.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.405 ' HB3' ' HB2' ' A' ' 75' ' ' PRO . 19.1 p-10 -62.89 -47.84 81.57 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.92 1.082 . . . . 12.0 113.92 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 . . . . . 0 C--O 1.253 1.273 0 CA-C-O 116.972 -1.49 . . . . 12.0 113.2 176.612 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 mmt . . . . . 0 N--CA 1.487 1.379 0 N-CA-C 115.22 1.563 . . . . 12.0 115.22 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -125.41 -103.41 0.36 Allowed 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 113.98 1.104 . . . . 12.0 113.98 -172.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.49 -169.79 2.17 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.355 1.062 . . . . 12.0 110.357 -172.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -127.85 125.69 65.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 C-N-CA 125.476 1.51 . . . . 12.0 108.363 172.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 47.7 pttt -156.7 136.65 8.6 Favored Pre-proline 0 N--CA 1.486 1.348 0 N-CA-C 114.134 1.161 . . . . 12.0 114.134 -176.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.407 ' HD2' ' O ' ' A' ' 93' ' ' TYR . 85.9 Cg_endo -79.04 77.31 4.15 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.4 2.067 . . . . 12.0 113.339 175.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.469 ' O ' ' HG3' ' A' ' 31' ' ' PRO . 81.6 m-20 3.95 138.21 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.692 0 N-CA-C 119.634 3.198 . . . . 12.0 119.634 175.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 7' ' ' ASN . 91.2 Cg_exo -49.65 138.82 32.08 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 123.638 2.892 . . . . 12.0 115.226 -174.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.428 ' HD3' ' SG ' ' A' ' 85' ' ' CYS . 95.1 Cg_endo -81.02 68.28 8.37 Favored 'Trans proline' 0 CA--C 1.545 1.035 0 C-N-CA 123.02 2.48 . . . . 12.0 108.719 170.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -68.42 -174.33 0.52 Allowed 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 112.357 -2.201 . . . . 12.0 114.35 -165.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 53.95 50.18 17.34 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 125.303 1.441 . . . . 12.0 114.167 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.597 HD22 HG22 ' A' ' 83' ' ' ILE . 20.6 tp -80.3 107.92 13.49 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 113.57 -1.65 . . . . 12.0 112.114 -176.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.4 t -123.13 148.45 45.69 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 114.548 -1.206 . . . . 12.0 112.874 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.549 HG13 ' HB1' ' A' ' 101' ' ' ALA . 3.0 m -106.31 31.16 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 N-CA-C 114.939 1.459 . . . . 12.0 114.939 -173.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.8 pt -47.77 117.44 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 N-CA-C 114.559 1.318 . . . . 12.0 114.559 -172.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.43 ' HB3' HD13 ' A' ' 24' ' ' LEU . 6.2 p30 -86.42 138.53 31.7 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 114.456 -1.247 . . . . 12.0 113.466 -178.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.4 t -80.4 85.22 5.9 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 113.818 -1.537 . . . . 12.0 110.482 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 31.31 -79.17 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 129.551 3.141 . . . . 12.0 116.462 -175.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -92.82 -17.16 24.45 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 116.434 2.013 . . . . 12.0 116.434 -174.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.5 mt -71.37 88.12 0.87 Allowed 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 115.557 1.688 . . . . 12.0 115.557 -170.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.6 m -72.99 18.02 0.11 Allowed 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 113.009 -1.905 . . . . 12.0 115.39 176.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.1 m -126.74 -7.4 6.18 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.735 1.214 . . . . 12.0 112.718 177.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.8 mt -138.43 138.29 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.29 1.036 . . . . 12.0 111.204 -167.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.716 HD23 HD22 ' A' ' 73' ' ' LEU . 3.7 mm? -123.43 134.66 53.92 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 113.868 -1.515 . . . . 12.0 108.424 163.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -93.08 108.71 20.24 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 122.542 1.163 . . . . 12.0 108.868 172.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.1 tp -85.25 107.82 17.47 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 112.732 -2.031 . . . . 12.0 109.499 177.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.4 p -108.94 140.86 41.86 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 113.73 -1.577 . . . . 12.0 111.065 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 41.4 p90 -146.68 170.78 16.25 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 124.658 1.224 . . . . 12.0 112.188 178.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.0 m -119.38 107.47 13.4 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 115.134 -0.939 . . . . 12.0 110.242 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -49.08 150.66 2.71 Favored Pre-proline 0 N--CA 1.483 1.202 0 CA-C-N 113.741 -1.572 . . . . 12.0 112.783 174.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.469 ' HG3' ' O ' ' A' ' 7' ' ' ASN . 90.3 Cg_exo -35.2 -55.58 0.58 Allowed 'Trans proline' 0 N--CA 1.483 0.908 0 C-N-CA 125.076 3.85 . . . . 12.0 116.441 -174.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.6 p 175.81 -35.57 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 126.916 2.086 . . . . 12.0 112.057 -175.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.451 HG21 HG22 ' A' ' 37' ' ' ILE . 48.2 mt -37.2 137.23 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 127.427 2.291 . . . . 12.0 113.603 177.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.447 ' HB3' ' H ' ' A' ' 35' ' ' SER . 31.4 mtmt -98.31 -144.26 0.31 Allowed 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 113.982 -1.463 . . . . 12.0 114.172 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.447 ' H ' ' HB3' ' A' ' 34' ' ' LYS . 29.1 p -75.5 38.97 0.15 Allowed 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 117.661 2.467 . . . . 12.0 117.661 -165.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -157.35 -173.44 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.155 1.382 . . . . 12.0 108.573 177.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.451 HG22 HG21 ' A' ' 33' ' ' ILE 0.353 0.7 OUTLIER 49.06 103.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 N-CA-C 116.11 1.893 . . . . 12.0 116.11 178.428 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.427 HG23 ' HA ' ' A' ' 63' ' ' SER . 73.2 mt -61.64 123.77 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 112.343 -2.208 . . . . 12.0 110.374 178.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.6 mp -105.31 136.74 44.29 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 114.293 -1.321 . . . . 12.0 112.214 167.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -112.07 127.77 56.0 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 113.166 -1.834 . . . . 12.0 109.504 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.633 ' HB2' ' HB ' ' A' ' 61' ' ' THR . 53.6 m-85 -120.52 135.9 54.94 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 114.014 -1.448 . . . . 12.0 112.534 -170.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -102.95 101.6 11.62 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 113.259 -1.791 . . . . 12.0 108.863 171.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.906 HD11 HG21 ' A' ' 61' ' ' THR . 2.6 mt -103.45 105.67 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 107.662 -1.236 . . . . 12.0 107.662 176.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -99.43 131.92 45.11 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.684 -0.689 . . . . 12.0 110.982 176.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -115.94 160.81 19.73 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 114.678 -1.146 . . . . 12.0 111.012 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.429 HH11 ' HG3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -175.83 169.7 2.92 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 125.192 1.557 . . . . 12.0 110.793 166.522 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.5 t -70.92 147.77 48.42 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 115.59 -0.732 . . . . 12.0 111.305 170.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -43.45 -33.09 1.0 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.904 2.082 . . . . 12.0 115.564 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -105.95 15.56 26.39 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.547 1.314 . . . . 12.0 114.547 -175.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.3 143.39 27.05 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 121.921 0.867 . . . . 12.0 112.888 -178.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 m -67.45 -55.15 14.79 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 114.762 -1.108 . . . . 12.0 113.173 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.6 p -120.71 156.3 32.07 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.59 1.156 . . . . 12.0 112.187 -177.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.577 ' HH2' HG22 ' A' ' 80' ' ' VAL . 47.3 m95 -86.82 147.05 25.98 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.035 1.494 . . . . 12.0 115.035 -170.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.1 t -96.9 -152.51 0.39 Allowed 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 113.94 -1.482 . . . . 12.0 108.789 174.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -156.22 136.1 12.66 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 117.957 2.577 . . . . 12.0 117.957 -168.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' A' ' 43' ' ' ILE . 46.8 mm -110.18 99.0 37.94 Favored Pre-proline 0 N--CA 1.479 1.011 0 N-CA-C 104.292 -2.484 . . . . 12.0 104.292 158.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -61.11 146.48 97.56 Favored 'Trans proline' 0 C--O 1.24 0.58 0 C-N-CA 123.633 2.888 . . . . 12.0 112.913 -174.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -67.81 77.21 0.57 Allowed 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 123.251 2.634 . . . . 12.0 113.44 173.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -120.28 -63.51 1.35 Allowed 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 112.677 -2.056 . . . . 12.0 109.618 174.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.67 -48.35 82.03 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.908 -0.775 . . . . 12.0 108.908 164.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.906 HG21 HD11 ' A' ' 43' ' ' ILE . 4.3 p -88.18 43.13 1.1 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 113.401 -1.727 . . . . 12.0 114.309 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -117.23 13.98 14.74 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 113.763 -1.562 . . . . 12.0 113.374 175.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.427 ' HA ' HG23 ' A' ' 38' ' ' ILE . 19.4 t -164.61 81.72 0.39 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.072 0.949 . . . . 12.0 110.604 176.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 14.1 m 36.63 97.88 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 126.909 2.084 . . . . 12.0 114.163 171.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.436 ' HG3' ' HA ' ' A' ' 61' ' ' THR . 6.3 mmt-85 -102.22 -56.35 2.28 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 118.048 2.61 . . . . 12.0 118.048 -166.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . 0.307 83.6 p 61.12 -14.21 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 116.925 2.195 . . . . 12.0 116.925 -171.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.7 p -150.96 152.43 33.55 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.536 0.735 . . . . 12.0 112.394 171.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -154.83 120.41 5.09 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 114.156 -1.384 . . . . 12.0 112.493 170.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.6 m -79.04 96.5 5.8 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 113.625 -1.625 . . . . 12.0 109.091 176.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.455 HG12 HD11 ' A' ' 73' ' ' LEU . 14.9 t -81.65 126.01 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 115.193 -0.912 . . . . 12.0 109.222 -175.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -117.99 163.24 16.88 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 113.505 -1.68 . . . . 12.0 110.715 -173.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 71.85 50.03 0.25 Allowed 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 126.191 1.796 . . . . 12.0 114.068 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.716 HD22 HD23 ' A' ' 24' ' ' LEU . 6.2 mp -108.21 138.75 43.96 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 114.947 -1.024 . . . . 12.0 110.841 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.478 ' HB3' ' HE1' ' A' ' 79' ' ' TYR . 20.7 ttmm -58.32 125.29 74.86 Favored Pre-proline 0 N--CA 1.48 1.026 0 CA-C-N 115.082 -0.963 . . . . 12.0 110.388 175.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.405 ' HB2' ' HB3' ' A' ' 108' ' ' ASP . 57.3 Cg_endo -61.85 150.69 85.03 Favored 'Trans proline' 0 N--CA 1.48 0.734 0 C-N-CA 123.657 2.904 . . . . 12.0 113.64 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . 0.269 5.8 p90 62.31 -11.0 0.08 Allowed 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 128.091 2.556 . . . . 12.0 116.9 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 87.2 m -95.8 140.54 30.43 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.385 1.074 . . . . 12.0 109.615 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -78.18 119.15 21.16 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 113.838 -1.528 . . . . 12.0 111.996 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.527 ' HB2' HD23 ' A' ' 73' ' ' LEU . 13.6 m-85 -107.64 131.43 54.39 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 113.319 -1.764 . . . . 12.0 110.403 171.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.577 HG22 ' HH2' ' A' ' 53' ' ' TRP . 0.3 OUTLIER -118.81 136.64 55.35 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 112.253 -2.249 . . . . 12.0 111.553 -169.507 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.463 ' HZ ' HD21 ' A' ' 73' ' ' LEU . 70.6 m-85 -120.23 144.74 47.59 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 112.907 -1.951 . . . . 12.0 111.762 -172.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -138.83 122.4 17.37 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 114.255 -1.339 . . . . 12.0 109.692 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.597 HG22 HD22 ' A' ' 12' ' ' LEU . 16.1 tt -130.72 144.91 36.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 N-CA-C 114.926 1.454 . . . . 12.0 114.926 -175.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -147.74 156.44 42.75 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 114.227 -1.352 . . . . 12.0 112.758 162.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.428 ' SG ' ' HD3' ' A' ' 9' ' ' PRO . 24.4 p -118.47 146.18 44.69 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 125.006 1.442 . . . . 12.0 113.465 -172.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 17.9 ptt? -130.42 149.61 52.02 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.095 -1.412 . . . . 12.0 111.497 165.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -72.92 143.96 47.51 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 114.068 -1.424 . . . . 12.0 110.029 173.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -28.24 129.67 0.06 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 126.758 2.023 . . . . 12.0 114.297 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.416 ' HB3' ' H ' ' A' ' 90' ' ' GLY . 1.3 m-20 119.76 -157.07 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 131.057 3.743 . . . . 12.0 110.104 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.416 ' H ' ' HB3' ' A' ' 89' ' ' ASP . . . -117.67 -2.14 17.2 Favored Glycine 0 N--CA 1.488 2.117 0 C-N-CA 123.747 0.689 . . . . 12.0 113.415 171.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -68.92 -15.03 63.38 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.227 1.811 . . . . 12.0 113.891 -176.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -46.27 102.34 0.04 OUTLIER Glycine 0 N--CA 1.479 1.514 0 C-N-CA 126.049 1.785 . . . . 12.0 115.599 -172.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.407 ' O ' ' HD2' ' A' ' 6' ' ' PRO . 71.0 m-85 -77.13 90.53 3.66 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 106.72 -1.585 . . . . 12.0 106.72 170.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -39.78 135.44 1.23 Allowed 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 116.775 2.139 . . . . 12.0 116.775 -168.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.2 p -73.71 128.5 35.66 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 113.059 -1.882 . . . . 12.0 108.627 166.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -54.65 111.68 0.86 Allowed 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 114.418 -1.265 . . . . 12.0 109.564 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -5.39 128.23 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 116.593 2.071 . . . . 12.0 116.593 -176.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.413 ' HA ' ' HB3' ' A' ' 8' ' ' PRO . 8.0 t -47.67 -60.93 2.2 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 114.823 -1.081 . . . . 12.0 111.639 175.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 170.19 177.44 0.05 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 128.739 2.816 . . . . 12.0 108.083 169.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -91.46 132.32 36.32 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 114.197 -1.365 . . . . 12.0 108.012 167.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.549 ' HB1' HG13 ' A' ' 14' ' ' VAL . . . -122.15 129.96 52.79 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 124.006 0.816 . . . . 12.0 110.355 171.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.9 m -120.3 114.13 21.41 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 114.521 -1.218 . . . . 12.0 111.739 -171.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -122.19 134.57 9.85 Favored Glycine 0 N--CA 1.48 1.62 0 O-C-N 124.52 1.137 . . . . 12.0 114.691 -174.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 32.5 mt -98.38 124.42 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 112.814 -1.693 . . . . 12.0 107.875 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.48 HG23 ' CD2' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -75.53 66.53 1.92 Allowed 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 114.034 -1.439 . . . . 12.0 112.815 176.503 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.6 t80 33.49 -124.53 0.08 Allowed 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 127.824 2.449 . . . . 12.0 113.399 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -140.64 137.24 33.46 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.143 0.977 . . . . 12.0 110.058 173.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.405 ' HB3' ' HB2' ' A' ' 75' ' ' PRO . 19.1 p-10 -62.89 -47.84 81.57 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.92 1.082 . . . . 12.0 113.92 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 . . . . . 0 C--O 1.253 1.273 0 CA-C-O 116.972 -1.49 . . . . 12.0 113.2 176.612 . . . . . . . . 0 0 . 1 stop_ save_