data_1j5k_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 1j5k _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 ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.542 -1.423 . . . . 4.04 109.542 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -112.54 167.6 12.41 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.731 -1.348 . . . . 1.8999999999999999 109.731 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -50.71 149.6 13.73 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.56 2.173 . . . . 0.90000000000000002 111.505 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.417 HD13 HG21 ' A' ' 13' ' ' ILE . 22.9 mm -106.83 111.8 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 N-CA-C 108.38 -0.971 . . . . 1.51 108.38 178.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.0 pt -124.4 157.27 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.151 -0.968 . . . . 1.0600000000000001 109.898 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.7 t -112.13 138.22 49.1 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-O 121.709 0.766 . . . . 1.0600000000000001 109.72 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.4 p -138.33 152.03 48.1 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.216 -0.927 . . . . 1.04 109.181 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -127.5 139.37 52.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.166 -0.958 . . . . 1.5800000000000001 109.2 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 t -135.45 145.67 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.196 -0.94 . . . . 1.0800000000000001 108.847 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.6 p -118.7 139.9 50.8 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.964 -1.085 . . . . 1.03 108.257 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.6 pt -126.7 144.74 50.91 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 121.43 -0.793 . . . . 1.03 110.094 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -52.05 131.52 39.35 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 121.049 1.166 . . . . 0.23999999999999999 109.765 177.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.41 ' HE2' HH21 ' A' ' 59' ' ' ARG . 39.5 tttt -55.11 -41.91 72.27 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.917 -1.115 . . . . 2.2999999999999998 111.205 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -49.51 -15.33 0.15 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.771 -1.206 . . . . 1.97 110.257 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.551 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 52.7 mt -106.08 -10.25 16.61 Favored 'General case' 0 N--CA 1.496 1.85 0 C-N-CA 119.277 -0.969 . . . . 1.03 109.777 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.17 -47.87 34.8 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.85 -1.157 . . . . 1.03 110.193 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.53 -33.11 75.97 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 108.608 -1.797 . . . . 0.14000000000000001 108.608 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.584 ' HG ' ' N ' ' A' ' 28' ' ' ILE . 0.9 OUTLIER -71.4 -39.0 71.43 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.461 -1.023 . . . . 1.6799999999999999 111.532 -178.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.584 ' N ' ' HG ' ' A' ' 27' ' ' SER . 89.9 mt -86.68 -39.5 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 120.578 -1.326 . . . . 1.04 109.735 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.46 HG23 HD11 ' A' ' 29' ' ' ILE . 95.3 mt -70.68 -42.45 77.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.101 -0.999 . . . . 1.03 109.655 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.21 170.66 46.49 Favored Glycine 0 N--CA 1.486 1.993 0 N-CA-C 109.719 -1.352 . . . . 0.11 109.719 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.498 ' C ' ' H ' ' A' ' 33' ' ' GLY . 16.1 tttm -80.11 141.63 35.59 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.424 -1.045 . . . . 1.8 109.35 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 61.4 -2.29 0.81 Allowed Glycine 0 N--CA 1.493 2.449 0 N-CA-C 110.144 -1.182 . . . . 0.14000000000000001 110.144 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 31' ' ' LYS . . . 85.55 3.92 86.03 Favored Glycine 0 N--CA 1.493 2.438 0 O-C-N 120.967 -1.313 . . . . 0.12 110.83 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -50.34 -23.03 2.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.572 -1.546 . . . . 2.8599999999999999 109.99 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -84.26 -59.34 2.42 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.994 -1.066 . . . . 3.0800000000000001 109.234 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.411 HG22 ' N ' ' A' ' 37' ' ' LYS . 21.2 tt -62.42 -26.93 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.26 -0.9 . . . . 1.05 110.199 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.411 ' N ' HG22 ' A' ' 36' ' ' ILE . 2.3 ttpt -77.3 -61.3 2.03 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.228 -0.92 . . . . 2.0 109.227 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -51.13 -33.38 26.42 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.842 -1.162 . . . . 2.6499999999999999 109.875 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.2 mt -62.18 -47.48 92.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.146 -0.971 . . . . 1.05 109.201 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.548 ' NH1' " H5'" ' B' ' 109' ' ' ' DT' . 74.0 mtm180 -71.41 -11.19 60.76 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.327 -0.858 . . . . 2.3700000000000001 111.245 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -96.8 -43.23 7.6 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.962 -1.086 . . . . 0.0 108.375 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -68.39 -33.25 73.92 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.931 -0.766 . . . . 2.3500000000000001 108.931 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 t -99.13 -31.5 11.73 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.357 -0.839 . . . . 1.78 109.719 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.409 ' O ' ' NE2' ' A' ' 69' ' ' GLN . . . 79.73 19.81 69.87 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.618 -1.393 . . . . 0.20999999999999999 109.618 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.73 165.93 13.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.183 -1.187 . . . . 1.03 109.772 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.2 m -107.54 146.85 31.32 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.643 -1.243 . . . . 1.74 107.643 178.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.3 mt -140.81 128.7 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 C-N-CA 119.111 -1.035 . . . . 1.04 110.175 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.439 ' CD ' ' O2 ' ' B' ' 109' ' ' ' DT' . 18.8 ttpt -123.48 133.97 53.96 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.08 -1.082 . . . . 2.6299999999999999 108.08 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.415 HD13 HG23 ' A' ' 49' ' ' ILE . 70.9 mt -116.93 122.78 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.284 -0.885 . . . . 1.0700000000000001 109.872 -178.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.22 161.71 8.52 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.056 -1.09 . . . . 2.0 108.056 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -53.73 140.39 49.04 Favored Pre-proline 0 C--N 1.299 -1.607 0 N-CA-C 108.257 -1.016 . . . . 2.1499999999999999 108.257 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -47.99 139.79 19.7 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 122.0 1.8 . . . . 1.02 112.615 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.5 mt -87.41 136.37 32.97 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.86 0.838 . . . . 1.8899999999999999 109.827 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -107.04 142.33 36.85 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.27 -1.011 . . . . 2.2000000000000002 108.27 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.79 4.41 88.83 Favored Glycine 0 N--CA 1.486 2.009 0 N-CA-C 107.793 -2.123 . . . . 0.28999999999999998 107.793 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.46 149.76 47.08 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 108.284 -1.006 . . . . 1.6200000000000001 108.284 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.523 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 95.9 mt-10 -105.66 40.12 1.62 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.069 -1.019 . . . . 2.02 109.352 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.523 ' OD1' ' O ' ' A' ' 57' ' ' GLU . 80.4 m-20 -147.46 138.44 23.59 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 120.229 -0.588 . . . . 1.02 110.482 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.41 HH21 ' HE2' ' A' ' 22' ' ' LYS . 83.2 mtt180 -107.54 159.93 16.06 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.013 -1.106 . . . . 1.45 108.013 178.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 60.3 mt -105.95 123.91 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.261 -0.899 . . . . 1.04 110.026 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.9 mt -112.94 130.1 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 108.191 -1.04 . . . . 1.03 108.191 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 96.9 m -111.31 128.01 55.82 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 108.04 -1.096 . . . . 1.04 108.04 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.8 mt -109.37 143.41 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.152 -0.967 . . . . 1.0600000000000001 108.798 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 33.0 m -145.38 115.86 7.61 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.386 -0.821 . . . . 1.05 109.609 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 173.91 -172.16 45.07 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 108.419 -1.872 . . . . 0.17999999999999999 108.419 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.8 p -72.98 157.03 38.2 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.87 -1.371 . . . . 1.0900000000000001 108.283 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -50.47 -40.55 51.17 Favored 'General case' 0 C--N 1.298 -1.652 0 C-N-CA 118.822 -1.151 . . . . 2.8399999999999999 109.733 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -47.26 76.82 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.823 -1.173 . . . . 2.0099999999999998 108.603 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 44' ' ' GLY . 80.5 mt-30 -63.7 -45.29 90.67 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.463 -0.773 . . . . 2.4199999999999999 109.677 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.8 mt -65.45 -43.78 94.48 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 N-CA-C 107.723 -1.214 . . . . 1.0700000000000001 107.723 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -58.97 -57.18 14.21 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 120.01 -0.676 . . . . 2.8199999999999998 109.501 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -60.41 -37.71 81.7 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.421 -0.799 . . . . 2.3199999999999998 109.839 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.28 -49.77 39.45 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.483 -0.76 . . . . 1.04 111.198 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -58.45 -41.93 86.25 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.831 -1.168 . . . . 1.98 110.865 -178.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -59.59 -39.64 84.83 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.72 -1.237 . . . . 1.04 108.942 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 52.8 mt -67.63 -36.95 81.75 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.215 -0.928 . . . . 1.05 110.141 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 97.8 mt -61.96 -52.6 63.36 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.679 -1.263 . . . . 1.03 110.054 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -61.69 -38.86 89.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.212 -0.93 . . . . 1.78 110.209 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -56.94 -42.38 79.96 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.177 -0.952 . . . . 2.1699999999999999 109.043 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.418 ' C ' ' H ' ' A' ' 82' ' ' LYS . 4.0 m -58.14 -45.99 86.41 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.258 -0.901 . . . . 1.8100000000000001 109.876 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.0 t -53.76 -13.04 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.392 -0.817 . . . . 1.1000000000000001 109.922 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.418 ' H ' ' C ' ' A' ' 80' ' ' SER . 18.1 tttt -75.38 -40.39 58.06 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.411 -0.805 . . . . 2.8700000000000001 110.928 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -72.68 -38.5 67.58 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.516 -0.74 . . . . 2.7599999999999998 111.649 -177.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.551 ' CD2' ' CD2' ' A' ' 24' ' ' LEU . 84.6 t80 -59.24 -40.66 86.66 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.624 -1.297 . . . . 1.3500000000000001 108.918 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.302 -1.476 0 O-C-N 121.67 -0.644 . . . . 2.1000000000000001 109.604 -179.688 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ' DT' . . . . . 0.457 H2'' " O5'" ' B' ' 106' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.453 2.531 1 C4'-C3'-C2' 111.083 7.883 . . . . 1.04 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ' DC' . . . . . 0.457 " O5'" H2'' ' B' ' 105' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.451 2.377 1 C4'-C3'-C2' 109.92 6.72 . . . . 0.22 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.504 -2.388 1 C4'-C3'-C2' 109.283 6.083 . . . . 0.19 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.422 " O3'" ' NH1' ' A' ' 40' ' ' ARG . . . . . . . . 0 O4'--C1' 1.454 2.583 1 C4'-C3'-C2' 109.744 6.544 . . . . 0.45000000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . 0.837 ' H72' ' OP2' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 P--O5' 1.622 2.899 1 C4'-C3'-C2' 109.877 6.677 . . . . 1.1499999999999999 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.542 -1.423 . . . . 3.61 109.542 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -112.54 167.6 12.41 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.731 -1.348 . . . . 1.24 109.731 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -50.71 149.6 13.73 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.56 2.173 . . . . 0.58 111.505 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.9 mm -106.83 111.8 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 N-CA-C 108.38 -0.971 . . . . 0.85 108.38 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.0 pt -124.4 157.27 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.151 -0.968 . . . . 0.27 109.898 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.7 t -112.13 138.22 49.1 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-O 121.709 0.766 . . . . 0.2 109.72 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.4 p -138.33 152.03 48.1 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.216 -0.927 . . . . 0.16 109.181 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -127.5 139.37 52.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.166 -0.958 . . . . 1.26 109.2 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 t -135.45 145.67 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.196 -0.94 . . . . 0.29 108.847 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.6 p -118.7 139.9 50.8 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.964 -1.085 . . . . 0.14 108.257 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.6 pt -126.7 144.74 50.91 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 121.43 -0.793 . . . . 0.12 110.094 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -52.05 131.52 39.35 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 121.049 1.166 . . . . 0.18 109.765 177.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.457 ' HE2' HH21 ' A' ' 59' ' ' ARG . 39.5 tttt -55.11 -41.91 72.27 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.917 -1.115 . . . . 1.78 111.205 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -49.51 -15.33 0.15 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.771 -1.206 . . . . 1.97 110.257 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.551 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 52.7 mt -106.08 -10.25 16.61 Favored 'General case' 0 N--CA 1.496 1.85 0 C-N-CA 119.277 -0.969 . . . . 0.17 109.777 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.436 ' HB3' ' H42' ' B' ' 106' ' ' ' DC' . . . -48.17 -47.87 34.8 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.85 -1.157 . . . . 0.14 110.193 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.53 -33.11 75.97 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 108.608 -1.797 . . . . 0.13 108.608 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.4 -39.0 71.43 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.461 -1.023 . . . . 1.23 111.532 -178.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 89.9 mt -86.68 -39.5 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 120.578 -1.326 . . . . 0.16 109.735 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.54 HG21 ' O2 ' ' B' ' 106' ' ' ' DC' . 95.3 mt -70.68 -42.45 77.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.101 -0.999 . . . . 0.13 109.655 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.21 170.66 46.49 Favored Glycine 0 N--CA 1.486 1.993 0 N-CA-C 109.719 -1.352 . . . . 0.11 109.719 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.483 ' C ' ' H ' ' A' ' 33' ' ' GLY . 16.1 tttm -80.11 141.63 35.59 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.424 -1.045 . . . . 1.22 109.35 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 61.4 -2.29 0.81 Allowed Glycine 0 N--CA 1.493 2.449 0 N-CA-C 110.144 -1.182 . . . . 0.12 110.144 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 31' ' ' LYS . . . 85.55 3.92 86.03 Favored Glycine 0 N--CA 1.493 2.438 0 O-C-N 120.967 -1.313 . . . . 0.12 110.83 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -50.34 -23.03 2.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.572 -1.546 . . . . 2.31 109.99 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' A' ' 29' ' ' ILE . 11.2 tpt180 -84.26 -59.34 2.42 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.994 -1.066 . . . . 2.57 109.234 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.2 tt -62.42 -26.93 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.26 -0.9 . . . . 0.26 110.199 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -77.3 -61.3 2.03 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.228 -0.92 . . . . 1.45 109.227 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -51.13 -33.38 26.42 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.842 -1.162 . . . . 1.98 109.875 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.2 mt -62.18 -47.48 92.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.146 -0.971 . . . . 0.22 109.201 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.575 ' NH1' " H5'" ' B' ' 109' ' ' ' DT' . 74.0 mtm180 -71.41 -11.19 60.76 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.327 -0.858 . . . . 1.9 111.245 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -96.8 -43.23 7.6 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.962 -1.086 . . . . 0.0 108.375 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -68.39 -33.25 73.92 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.931 -0.766 . . . . 2.35 108.931 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 t -99.13 -31.5 11.73 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.357 -0.839 . . . . 1.34 109.719 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.409 ' O ' ' NE2' ' A' ' 69' ' ' GLN . . . 79.73 19.81 69.87 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.618 -1.393 . . . . 0.19 109.618 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' ' 69' ' ' GLN . . . -89.73 165.93 13.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.183 -1.187 . . . . 0.17 109.772 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.2 m -107.54 146.85 31.32 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.643 -1.243 . . . . 1.21 107.643 178.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.3 mt -140.81 128.7 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 C-N-CA 119.111 -1.035 . . . . 0.16 110.175 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.439 ' CD ' ' O2 ' ' B' ' 109' ' ' ' DT' . 18.8 ttpt -123.48 133.97 53.96 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.08 -1.082 . . . . 2.14 108.08 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 70.9 mt -116.93 122.78 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.284 -0.885 . . . . 0.19 109.872 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.22 161.71 8.52 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.056 -1.09 . . . . 2.0 108.056 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -53.73 140.39 49.04 Favored Pre-proline 0 C--N 1.299 -1.607 0 N-CA-C 108.257 -1.016 . . . . 2.15 108.257 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -47.99 139.79 19.7 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 122.0 1.8 . . . . 0.67 112.615 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.5 mt -87.41 136.37 32.97 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.86 0.838 . . . . 1.27 109.827 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -107.04 142.33 36.85 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.27 -1.011 . . . . 2.2 108.27 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.79 4.41 88.83 Favored Glycine 0 N--CA 1.486 2.009 0 N-CA-C 107.793 -2.123 . . . . 0.27 107.793 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.46 149.76 47.08 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 108.284 -1.006 . . . . 1.09 108.284 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.523 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 95.9 mt-10 -105.66 40.12 1.62 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.069 -1.019 . . . . 2.02 109.352 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.523 ' OD1' ' O ' ' A' ' 57' ' ' GLU . 80.4 m-20 -147.46 138.44 23.59 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 120.229 -0.588 . . . . 1.02 110.482 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.457 HH21 ' HE2' ' A' ' 22' ' ' LYS . 83.2 mtt180 -107.54 159.93 16.06 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.013 -1.106 . . . . 1.01 108.013 178.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 60.3 mt -105.95 123.91 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.261 -0.899 . . . . 0.16 110.026 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.9 mt -112.94 130.1 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 108.191 -1.04 . . . . 0.13 108.191 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 96.9 m -111.31 128.01 55.82 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 108.04 -1.096 . . . . 0.15 108.04 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.8 mt -109.37 143.41 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.152 -0.967 . . . . 0.2 108.798 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 33.0 m -145.38 115.86 7.61 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.386 -0.821 . . . . 0.22 109.609 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 173.91 -172.16 45.07 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 108.419 -1.872 . . . . 0.17 108.419 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.8 p -72.98 157.03 38.2 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.87 -1.371 . . . . 0.35 108.283 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -50.47 -40.55 51.17 Favored 'General case' 0 C--N 1.298 -1.652 0 C-N-CA 118.822 -1.151 . . . . 2.11 109.733 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -47.26 76.82 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.823 -1.173 . . . . 2.01 108.603 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.532 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 80.5 mt-30 -63.7 -45.29 90.67 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.463 -0.773 . . . . 1.85 109.677 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.8 mt -65.45 -43.78 94.48 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 N-CA-C 107.723 -1.214 . . . . 0.26 107.723 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -58.97 -57.18 14.21 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 120.01 -0.676 . . . . 2.13 109.501 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -60.41 -37.71 81.7 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.421 -0.799 . . . . 1.63 109.839 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.28 -49.77 39.45 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.483 -0.76 . . . . 0.22 111.198 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -58.45 -41.93 86.25 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.831 -1.168 . . . . 1.83 110.865 -178.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -59.59 -39.64 84.83 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.72 -1.237 . . . . 0.52 108.942 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 52.8 mt -67.63 -36.95 81.75 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.215 -0.928 . . . . 0.21 110.141 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 97.8 mt -61.96 -52.6 63.36 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.679 -1.263 . . . . 0.15 110.054 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -61.69 -38.86 89.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.212 -0.93 . . . . 1.45 110.209 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -56.94 -42.38 79.96 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.177 -0.952 . . . . 1.79 109.043 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.0 m -58.14 -45.99 86.41 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.258 -0.901 . . . . 1.31 109.876 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.454 ' O ' HG12 ' A' ' 81' ' ' VAL . 51.0 t -53.76 -13.04 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.392 -0.817 . . . . 0.37 109.922 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -75.38 -40.39 58.06 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.411 -0.805 . . . . 2.4 110.928 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -72.68 -38.5 67.58 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.516 -0.74 . . . . 2.19 111.649 -177.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.551 ' CD2' ' CD2' ' A' ' 24' ' ' LEU . 84.6 t80 -59.24 -40.66 86.66 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.624 -1.297 . . . . 0.92 108.918 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.302 -1.476 0 O-C-N 121.67 -0.644 . . . . 1.71 109.604 -179.688 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ' DT' . . . . . 0.446 H2'' " O5'" ' B' ' 106' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.453 2.531 1 C4'-C3'-C2' 111.083 7.883 . . . . 0.22 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ' DC' . . . . . 0.54 ' O2 ' HG21 ' A' ' 29' ' ' ILE . . . . . . . . 0 O4'--C1' 1.451 2.377 1 C4'-C3'-C2' 109.92 6.72 . . . . 0.22 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ' DC' . . . . . 0.407 ' C2 ' HD13 ' A' ' 29' ' ' ILE . . . . . . . . 0 C4'--C3' 1.504 -2.388 1 C4'-C3'-C2' 109.283 6.083 . . . . 0.18 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.452 " H4'" ' NH2' ' A' ' 40' ' ' ARG . . . . . . . . 0 O4'--C1' 1.454 2.583 1 C4'-C3'-C2' 109.744 6.544 . . . . 0.4 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.695 ' OP2' ' H73' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 P--O5' 1.622 2.899 1 C4'-C3'-C2' 109.877 6.677 . . . . 0.43 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.542 -1.423 . . . . 3.61 109.542 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -112.54 167.6 12.41 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.731 -1.348 . . . . 1.24 109.731 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -50.71 149.6 13.73 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.56 2.173 . . . . 0.58 111.505 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.9 mm -106.83 111.8 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 N-CA-C 108.38 -0.971 . . . . 0.85 108.38 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.0 pt -124.4 157.27 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.151 -0.968 . . . . 0.27 109.898 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.7 t -112.13 138.22 49.1 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-O 121.709 0.766 . . . . 0.2 109.72 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.4 p -138.33 152.03 48.1 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.216 -0.927 . . . . 0.16 109.181 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -127.5 139.37 52.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.166 -0.958 . . . . 1.26 109.2 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 t -135.45 145.67 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.196 -0.94 . . . . 0.29 108.847 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.6 p -118.7 139.9 50.8 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.964 -1.085 . . . . 0.14 108.257 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.6 pt -126.7 144.74 50.91 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 121.43 -0.793 . . . . 0.12 110.094 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -52.05 131.52 39.35 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 121.049 1.166 . . . . 0.18 109.765 177.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.457 ' HE2' HH21 ' A' ' 59' ' ' ARG . 39.5 tttt -55.11 -41.91 72.27 Favored 'General case' 0 C--N 1.296 -1.73 0 O-C-N 120.917 -1.115 . . . . 1.78 111.205 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -49.51 -15.33 0.15 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.771 -1.206 . . . . 1.97 110.257 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.551 ' CD2' ' CD2' ' A' ' 84' ' ' TYR . 52.7 mt -106.08 -10.25 16.61 Favored 'General case' 0 N--CA 1.496 1.85 0 C-N-CA 119.277 -0.969 . . . . 0.17 109.777 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.436 ' HB3' ' H42' ' B' ' 106' ' ' ' DC' . . . -48.17 -47.87 34.8 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.85 -1.157 . . . . 0.14 110.193 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.53 -33.11 75.97 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 108.608 -1.797 . . . . 0.13 108.608 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.4 -39.0 71.43 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.461 -1.023 . . . . 1.23 111.532 -178.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 89.9 mt -86.68 -39.5 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 120.578 -1.326 . . . . 0.16 109.735 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.54 HG21 ' O2 ' ' B' ' 106' ' ' ' DC' . 95.3 mt -70.68 -42.45 77.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.101 -0.999 . . . . 0.13 109.655 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.21 170.66 46.49 Favored Glycine 0 N--CA 1.486 1.993 0 N-CA-C 109.719 -1.352 . . . . 0.11 109.719 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.483 ' C ' ' H ' ' A' ' 33' ' ' GLY . 16.1 tttm -80.11 141.63 35.59 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.424 -1.045 . . . . 1.22 109.35 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 61.4 -2.29 0.81 Allowed Glycine 0 N--CA 1.493 2.449 0 N-CA-C 110.144 -1.182 . . . . 0.12 110.144 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 31' ' ' LYS . . . 85.55 3.92 86.03 Favored Glycine 0 N--CA 1.493 2.438 0 O-C-N 120.967 -1.313 . . . . 0.12 110.83 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -50.34 -23.03 2.08 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.572 -1.546 . . . . 2.31 109.99 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' A' ' 29' ' ' ILE . 11.2 tpt180 -84.26 -59.34 2.42 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.994 -1.066 . . . . 2.57 109.234 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.2 tt -62.42 -26.93 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.26 -0.9 . . . . 0.26 110.199 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -77.3 -61.3 2.03 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.228 -0.92 . . . . 1.45 109.227 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -51.13 -33.38 26.42 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.842 -1.162 . . . . 1.98 109.875 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.2 mt -62.18 -47.48 92.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.146 -0.971 . . . . 0.22 109.201 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.575 ' NH1' " H5'" ' B' ' 109' ' ' ' DT' . 74.0 mtm180 -71.41 -11.19 60.76 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.327 -0.858 . . . . 1.9 111.245 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -96.8 -43.23 7.6 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 120.962 -1.086 . . . . 0.0 108.375 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -68.39 -33.25 73.92 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.931 -0.766 . . . . 2.35 108.931 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 t -99.13 -31.5 11.73 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.357 -0.839 . . . . 1.34 109.719 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.409 ' O ' ' NE2' ' A' ' 69' ' ' GLN . . . 79.73 19.81 69.87 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.618 -1.393 . . . . 0.19 109.618 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' ' 69' ' ' GLN . . . -89.73 165.93 13.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.183 -1.187 . . . . 0.17 109.772 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.2 m -107.54 146.85 31.32 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.643 -1.243 . . . . 1.21 107.643 178.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 57.3 mt -140.81 128.7 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 C-N-CA 119.111 -1.035 . . . . 0.16 110.175 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.439 ' CD ' ' O2 ' ' B' ' 109' ' ' ' DT' . 18.8 ttpt -123.48 133.97 53.96 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.08 -1.082 . . . . 2.14 108.08 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 70.9 mt -116.93 122.78 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.284 -0.885 . . . . 0.19 109.872 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.22 161.71 8.52 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.056 -1.09 . . . . 2.0 108.056 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -53.73 140.39 49.04 Favored Pre-proline 0 C--N 1.299 -1.607 0 N-CA-C 108.257 -1.016 . . . . 2.15 108.257 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -47.99 139.79 19.7 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 122.0 1.8 . . . . 0.67 112.615 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.5 mt -87.41 136.37 32.97 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.86 0.838 . . . . 1.27 109.827 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -107.04 142.33 36.85 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.27 -1.011 . . . . 2.2 108.27 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.79 4.41 88.83 Favored Glycine 0 N--CA 1.486 2.009 0 N-CA-C 107.793 -2.123 . . . . 0.27 107.793 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.46 149.76 47.08 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 108.284 -1.006 . . . . 1.09 108.284 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.523 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 95.9 mt-10 -105.66 40.12 1.62 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.069 -1.019 . . . . 2.02 109.352 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.523 ' OD1' ' O ' ' A' ' 57' ' ' GLU . 80.4 m-20 -147.46 138.44 23.59 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 120.229 -0.588 . . . . 1.02 110.482 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.457 HH21 ' HE2' ' A' ' 22' ' ' LYS . 83.2 mtt180 -107.54 159.93 16.06 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.013 -1.106 . . . . 1.01 108.013 178.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 60.3 mt -105.95 123.91 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.261 -0.899 . . . . 0.16 110.026 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.9 mt -112.94 130.1 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 108.191 -1.04 . . . . 0.13 108.191 178.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 96.9 m -111.31 128.01 55.82 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 108.04 -1.096 . . . . 0.15 108.04 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.8 mt -109.37 143.41 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.152 -0.967 . . . . 0.2 108.798 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 33.0 m -145.38 115.86 7.61 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.386 -0.821 . . . . 0.22 109.609 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 173.91 -172.16 45.07 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 108.419 -1.872 . . . . 0.17 108.419 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.8 p -72.98 157.03 38.2 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.87 -1.371 . . . . 0.35 108.283 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -50.47 -40.55 51.17 Favored 'General case' 0 C--N 1.298 -1.652 0 C-N-CA 118.822 -1.151 . . . . 2.11 109.733 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -47.26 76.82 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.823 -1.173 . . . . 2.01 108.603 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.532 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 80.5 mt-30 -63.7 -45.29 90.67 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.463 -0.773 . . . . 1.85 109.677 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.8 mt -65.45 -43.78 94.48 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 N-CA-C 107.723 -1.214 . . . . 0.26 107.723 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -58.97 -57.18 14.21 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 120.01 -0.676 . . . . 2.13 109.501 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -60.41 -37.71 81.7 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.421 -0.799 . . . . 1.63 109.839 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.28 -49.77 39.45 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.483 -0.76 . . . . 0.22 111.198 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -58.45 -41.93 86.25 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.831 -1.168 . . . . 1.83 110.865 -178.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -59.59 -39.64 84.83 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.72 -1.237 . . . . 0.52 108.942 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 52.8 mt -67.63 -36.95 81.75 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.215 -0.928 . . . . 0.21 110.141 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 97.8 mt -61.96 -52.6 63.36 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.679 -1.263 . . . . 0.15 110.054 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -61.69 -38.86 89.41 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.212 -0.93 . . . . 1.45 110.209 -179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -56.94 -42.38 79.96 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.177 -0.952 . . . . 1.79 109.043 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.0 m -58.14 -45.99 86.41 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.258 -0.901 . . . . 1.31 109.876 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.454 ' O ' HG12 ' A' ' 81' ' ' VAL . 51.0 t -53.76 -13.04 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.392 -0.817 . . . . 0.37 109.922 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -75.38 -40.39 58.06 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.411 -0.805 . . . . 2.4 110.928 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -72.68 -38.5 67.58 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.516 -0.74 . . . . 2.19 111.649 -177.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.551 ' CD2' ' CD2' ' A' ' 24' ' ' LEU . 84.6 t80 -59.24 -40.66 86.66 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.624 -1.297 . . . . 0.92 108.918 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.302 -1.476 0 O-C-N 121.67 -0.644 . . . . 1.71 109.604 -179.688 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.446 H2'' " O5'" ' B' ' 106' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.453 2.531 1 C4'-C3'-C2' 111.083 7.883 . . . . 0.22 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ' DC' . . . . . 0.54 ' O2 ' HG21 ' A' ' 29' ' ' ILE . . . . . . . . 0 O4'--C1' 1.451 2.377 1 C4'-C3'-C2' 109.92 6.72 . . . . 0.22 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ' DC' . . . . . 0.407 ' C2 ' HD13 ' A' ' 29' ' ' ILE . . . . . . . . 0 C4'--C3' 1.504 -2.388 1 C4'-C3'-C2' 109.283 6.083 . . . . 0.18 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.452 " H4'" ' NH2' ' A' ' 40' ' ' ARG . . . . . . . . 0 O4'--C1' 1.454 2.583 1 C4'-C3'-C2' 109.744 6.544 . . . . 0.4 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.695 ' OP2' ' H73' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 P--O5' 1.622 2.899 1 C4'-C3'-C2' 109.877 6.677 . . . . 0.43 . . . . . . . . . . 2 2 . 1 stop_ save_