data_1dcz_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 1dcz _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 ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.139 -0.689 . . . . 32.0 109.139 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.61 131.15 2.43 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.816 -0.913 . . . . 32.0 110.816 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.64 -34.54 60.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.124 0.487 . . . . 32.0 110.392 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.06 123.74 0.71 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.731 -0.948 . . . . 32.0 110.731 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -152.03 168.19 26.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.067 0.46 . . . . 32.0 110.486 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -137.8 178.7 6.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.793 -0.639 . . . . 32.0 110.343 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 159.65 -56.72 0.33 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.053 -0.819 . . . . 32.0 111.053 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -99.56 97.82 8.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.103 0.478 . . . . 32.0 110.806 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.94 -54.6 3.32 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.922 -0.871 . . . . 32.0 110.922 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -80.41 131.08 35.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.092 0.473 . . . . 32.0 110.5 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 53.9 mt -81.66 129.6 64.78 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 115.842 -0.617 . . . . 32.0 110.038 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -74.2 139.33 26.4 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.004 1.803 . . . . 32.0 112.266 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.25 148.27 80.62 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.899 -0.591 . . . . 32.0 110.352 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -72.3 -29.24 14.28 Favored 'Trans proline' 0 N--CA 1.471 0.204 0 C-N-CA 122.213 1.942 . . . . 32.0 112.335 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.1 pp -164.27 159.97 20.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.889 -0.596 . . . . 32.0 110.471 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.68 95.18 4.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.82 -0.627 . . . . 32.0 110.404 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -124.88 -142.06 5.81 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.813 -0.915 . . . . 32.0 110.813 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.1 m -137.45 140.09 41.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.092 0.472 . . . . 32.0 110.446 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.7 t -70.9 126.82 31.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.88 -0.6 . . . . 32.0 110.23 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.38 -53.49 3.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.813 -0.63 . . . . 32.0 110.523 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -152.27 148.34 27.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.851 -0.613 . . . . 32.0 110.517 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 28.8 mt -99.89 131.63 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.747 -0.66 . . . . 32.0 110.086 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.4 mt -99.37 -34.3 10.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.989 -0.55 . . . . 32.0 110.638 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 33.0 m -109.0 147.29 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.177 0.513 . . . . 32.0 110.743 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.3 pttt -135.61 161.73 34.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.623 -0.717 . . . . 32.0 110.09 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -59.32 101.93 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.962 -0.563 . . . . 32.0 110.632 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 140.13 -30.51 2.34 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.866 -0.894 . . . . 32.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.04 149.84 21.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.083 0.468 . . . . 32.0 110.458 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 m -97.98 149.83 22.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.832 -0.622 . . . . 32.0 110.354 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.8 m -123.68 169.34 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.869 -0.605 . . . . 32.0 110.519 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -128.76 149.34 50.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.78 -0.645 . . . . 32.0 110.333 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.18 98.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.84 -0.618 . . . . 32.0 110.643 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 130.91 -36.3 2.3 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.937 -0.865 . . . . 32.0 110.937 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -63.51 142.75 58.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.082 0.468 . . . . 32.0 110.55 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.8 m -66.65 138.29 57.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.881 -0.6 . . . . 32.0 110.316 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 23.6 m -113.89 -31.13 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.866 -0.606 . . . . 32.0 111.072 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.1 tt -162.17 150.1 14.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.135 0.493 . . . . 32.0 110.625 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.8 t -101.2 137.83 27.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.735 -0.666 . . . . 32.0 110.143 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.3 mt -114.63 162.06 17.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.037 -0.529 . . . . 32.0 110.553 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -136.59 112.99 9.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.788 -0.642 . . . . 32.0 110.44 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -149.49 138.54 21.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.815 -0.63 . . . . 32.0 110.418 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 35.7 mtt 60.69 32.28 20.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.848 -0.614 . . . . 32.0 110.543 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 82.0 mttt 60.5 33.36 20.57 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.859 -0.61 . . . . 32.0 110.49 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.4 ttt -138.17 121.83 17.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.863 -0.608 . . . . 32.0 110.449 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -72.66 125.85 28.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.835 -0.62 . . . . 32.0 110.393 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.9 m -119.6 127.44 52.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.88 -0.6 . . . . 32.0 110.416 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -85.37 140.96 30.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.819 -0.628 . . . . 32.0 110.472 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.431 HD13 HG21 ' A' ' 94' ' ' ILE . 39.2 mm -108.75 118.32 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.83 -0.623 . . . . 32.0 110.3 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -103.08 139.78 38.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.859 -0.61 . . . . 32.0 110.409 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.49 144.37 92.37 Favored Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 115.839 -0.619 . . . . 32.0 110.465 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -72.97 -37.04 3.84 Favored 'Trans proline' 0 CA--C 1.527 0.167 0 C-N-CA 122.188 1.926 . . . . 32.0 112.252 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.4 p -146.96 164.56 32.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.776 -0.647 . . . . 32.0 110.327 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -67.14 142.46 57.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.879 -0.601 . . . . 32.0 110.437 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 172.69 -160.75 31.94 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.869 -0.892 . . . . 32.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -135.06 146.38 48.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.052 0.453 . . . . 32.0 110.469 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.8 t -74.63 112.02 11.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.883 -0.599 . . . . 32.0 110.219 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -94.43 -29.3 15.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.88 -0.6 . . . . 32.0 110.755 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -162.13 127.41 3.42 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.074 0.464 . . . . 32.0 110.531 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.7 t -102.86 110.5 29.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.857 -0.61 . . . . 32.0 110.289 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.7 mt -80.17 -31.95 38.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.763 -0.653 . . . . 32.0 110.472 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 33.5 m -81.67 141.83 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.889 -0.596 . . . . 32.0 110.563 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 61.2 mttt -129.28 162.08 28.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.812 -0.631 . . . . 32.0 110.258 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -61.17 145.9 49.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.903 -0.59 . . . . 32.0 110.471 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.3 mmt85 60.35 32.79 20.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.848 -0.615 . . . . 32.0 110.523 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -117.86 148.31 42.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.786 -0.643 . . . . 32.0 110.366 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -91.78 137.69 32.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.882 -0.599 . . . . 32.0 110.519 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 27.9 m -122.55 179.57 2.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.788 -0.642 . . . . 32.0 110.354 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -135.64 143.97 45.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.824 -0.625 . . . . 32.0 110.336 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -58.95 116.96 9.51 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.869 -0.893 . . . . 32.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 103.15 -28.77 14.32 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.927 -0.869 . . . . 32.0 110.927 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -58.54 143.56 45.56 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.096 0.474 . . . . 32.0 110.766 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -61.37 118.69 15.68 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.775 -0.93 . . . . 32.0 110.775 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 88.0 mt -88.71 -57.7 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.087 0.47 . . . . 32.0 110.338 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.453 HG23 HD13 ' A' ' 120' ' ' ILE . 52.2 mt -140.92 151.19 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.846 -0.616 . . . . 32.0 110.356 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -96.23 127.79 42.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.756 -0.656 . . . . 32.0 110.288 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.414 HD12 HG22 ' A' ' 122' ' ' ILE . 36.1 mm -106.93 145.86 13.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.799 -0.637 . . . . 32.0 110.492 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.757 0 CA-C-O 117.985 -1.453 . . . . 32.0 110.73 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.139 -0.689 . . . . 32.0 109.139 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.61 131.15 2.43 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.816 -0.913 . . . . 32.0 110.816 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.64 -34.54 60.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.124 0.487 . . . . 32.0 110.392 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.06 123.74 0.71 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.731 -0.948 . . . . 32.0 110.731 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -152.03 168.19 26.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.067 0.46 . . . . 32.0 110.486 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.779 ' HB2' ' HA2' ' A' ' 118' ' ' GLY . . . -137.8 178.7 6.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.793 -0.639 . . . . 32.0 110.343 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 159.65 -56.72 0.33 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.053 -0.819 . . . . 32.0 111.053 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -99.56 97.82 8.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.103 0.478 . . . . 32.0 110.806 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.94 -54.6 3.32 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.922 -0.871 . . . . 32.0 110.922 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.777 ' O ' ' HB1' ' A' ' 52' ' ' ALA . 29.3 mt-10 -80.41 131.08 35.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.092 0.473 . . . . 32.0 110.5 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.45 HD11 ' CG1' ' A' ' 122' ' ' ILE . 53.9 mt -81.66 129.6 64.78 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 115.842 -0.617 . . . . 32.0 110.038 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.458 ' CA ' ' HB3' ' A' ' 52' ' ' ALA . 51.0 Cg_endo -74.2 139.33 26.4 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.004 1.803 . . . . 32.0 112.266 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.25 148.27 80.62 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.899 -0.591 . . . . 32.0 110.352 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -72.3 -29.24 14.28 Favored 'Trans proline' 0 N--CA 1.471 0.204 0 C-N-CA 122.213 1.942 . . . . 32.0 112.335 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.1 pp -164.27 159.97 20.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.889 -0.596 . . . . 32.0 110.471 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.68 95.18 4.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.82 -0.627 . . . . 32.0 110.404 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -124.88 -142.06 5.81 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.813 -0.915 . . . . 32.0 110.813 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.1 m -137.45 140.09 41.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.092 0.472 . . . . 32.0 110.446 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.761 HG13 HD11 ' A' ' 83' ' ' LEU . 21.7 t -70.9 126.82 31.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.88 -0.6 . . . . 32.0 110.23 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.38 -53.49 3.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.813 -0.63 . . . . 32.0 110.523 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -152.27 148.34 27.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.851 -0.613 . . . . 32.0 110.517 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 28.8 mt -99.89 131.63 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.747 -0.66 . . . . 32.0 110.086 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.443 HD12 HG22 ' A' ' 81' ' ' THR . 12.4 mt -99.37 -34.3 10.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.989 -0.55 . . . . 32.0 110.638 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.763 ' HB ' HG21 ' A' ' 102' ' ' VAL . 33.0 m -109.0 147.29 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.177 0.513 . . . . 32.0 110.743 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.3 pttt -135.61 161.73 34.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.623 -0.717 . . . . 32.0 110.09 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -59.32 101.93 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.962 -0.563 . . . . 32.0 110.632 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 140.13 -30.51 2.34 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.866 -0.894 . . . . 32.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.04 149.84 21.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.083 0.468 . . . . 32.0 110.458 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 100' ' ' GLY . 1.3 m -97.98 149.83 22.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.832 -0.622 . . . . 32.0 110.354 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.699 HG11 HG11 ' A' ' 70' ' ' VAL . 30.8 m -123.68 169.34 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.869 -0.605 . . . . 32.0 110.519 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -128.76 149.34 50.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.78 -0.645 . . . . 32.0 110.333 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.631 ' HB2' ' HA ' ' A' ' 98' ' ' THR . . . -60.18 98.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.84 -0.618 . . . . 32.0 110.643 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 130.91 -36.3 2.3 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.937 -0.865 . . . . 32.0 110.937 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -63.51 142.75 58.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.082 0.468 . . . . 32.0 110.55 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.443 HG22 HD12 ' A' ' 69' ' ' LEU . 13.8 m -66.65 138.29 57.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.881 -0.6 . . . . 32.0 110.316 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.416 ' HA ' HG13 ' A' ' 70' ' ' VAL . 23.6 m -113.89 -31.13 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.866 -0.606 . . . . 32.0 111.072 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.761 HD11 HG13 ' A' ' 65' ' ' VAL . 7.1 tt -162.17 150.1 14.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.135 0.493 . . . . 32.0 110.625 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.8 t -101.2 137.83 27.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.735 -0.666 . . . . 32.0 110.143 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.782 HD12 HD11 ' A' ' 94' ' ' ILE . 14.3 mt -114.63 162.06 17.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.037 -0.529 . . . . 32.0 110.553 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -136.59 112.99 9.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.788 -0.642 . . . . 32.0 110.44 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -149.49 138.54 21.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.815 -0.63 . . . . 32.0 110.418 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 35.7 mtt 60.69 32.28 20.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.848 -0.614 . . . . 32.0 110.543 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 82.0 mttt 60.5 33.36 20.57 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.859 -0.61 . . . . 32.0 110.49 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.4 ttt -138.17 121.83 17.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.863 -0.608 . . . . 32.0 110.449 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -72.66 125.85 28.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.835 -0.62 . . . . 32.0 110.393 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.9 m -119.6 127.44 52.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.88 -0.6 . . . . 32.0 110.416 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -85.37 140.96 30.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.819 -0.628 . . . . 32.0 110.472 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.782 HD11 HD12 ' A' ' 85' ' ' LEU . 39.2 mm -108.75 118.32 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.83 -0.623 . . . . 32.0 110.3 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -103.08 139.78 38.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.859 -0.61 . . . . 32.0 110.409 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.49 144.37 92.37 Favored Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 115.839 -0.619 . . . . 32.0 110.465 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.404 ' HD3' HD13 ' A' ' 57' ' ' ILE . 49.1 Cg_endo -72.97 -37.04 3.84 Favored 'Trans proline' 0 CA--C 1.527 0.167 0 C-N-CA 122.188 1.926 . . . . 32.0 112.252 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.631 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 8.4 p -146.96 164.56 32.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.776 -0.647 . . . . 32.0 110.327 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -67.14 142.46 57.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.879 -0.601 . . . . 32.0 110.437 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.478 ' O ' HG22 ' A' ' 75' ' ' THR . . . 172.69 -160.75 31.94 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.869 -0.892 . . . . 32.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -135.06 146.38 48.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.052 0.453 . . . . 32.0 110.469 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.763 HG21 ' HB ' ' A' ' 70' ' ' VAL . 22.8 t -74.63 112.02 11.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.883 -0.599 . . . . 32.0 110.219 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -94.43 -29.3 15.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.88 -0.6 . . . . 32.0 110.755 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -162.13 127.41 3.42 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.074 0.464 . . . . 32.0 110.531 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 107' ' ' VAL . 21.7 t -102.86 110.5 29.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.857 -0.61 . . . . 32.0 110.289 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.7 mt -80.17 -31.95 38.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.763 -0.653 . . . . 32.0 110.472 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 105' ' ' VAL . 33.5 m -81.67 141.83 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.889 -0.596 . . . . 32.0 110.563 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 61.2 mttt -129.28 162.08 28.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.812 -0.631 . . . . 32.0 110.258 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -61.17 145.9 49.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.903 -0.59 . . . . 32.0 110.471 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.3 mmt85 60.35 32.79 20.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.848 -0.615 . . . . 32.0 110.523 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -117.86 148.31 42.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.786 -0.643 . . . . 32.0 110.366 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -91.78 137.69 32.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.882 -0.599 . . . . 32.0 110.519 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 27.9 m -122.55 179.57 2.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.788 -0.642 . . . . 32.0 110.354 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -135.64 143.97 45.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.824 -0.625 . . . . 32.0 110.336 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -58.95 116.96 9.51 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.869 -0.893 . . . . 32.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 103.15 -28.77 14.32 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.927 -0.869 . . . . 32.0 110.927 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -58.54 143.56 45.56 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.096 0.474 . . . . 32.0 110.766 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.779 ' HA2' ' HB2' ' A' ' 52' ' ' ALA . . . -61.37 118.69 15.68 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.775 -0.93 . . . . 32.0 110.775 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 88.0 mt -88.71 -57.7 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.087 0.47 . . . . 32.0 110.338 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.485 ' CG2' HG13 ' A' ' 102' ' ' VAL . 52.2 mt -140.92 151.19 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.846 -0.616 . . . . 32.0 110.356 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -96.23 127.79 42.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.756 -0.656 . . . . 32.0 110.288 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.45 ' CG1' HD11 ' A' ' 57' ' ' ILE . 36.1 mm -106.93 145.86 13.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.799 -0.637 . . . . 32.0 110.492 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.757 0 CA-C-O 117.985 -1.453 . . . . 32.0 110.73 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.139 -0.689 . . . . 32.0 109.139 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.61 131.15 2.43 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.816 -0.913 . . . . 32.0 110.816 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.64 -34.54 60.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.124 0.487 . . . . 32.0 110.392 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.06 123.74 0.71 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.731 -0.948 . . . . 32.0 110.731 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -152.03 168.19 26.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.067 0.46 . . . . 32.0 110.486 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.779 ' HB2' ' HA2' ' A' ' 118' ' ' GLY . . . -137.8 178.7 6.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.793 -0.639 . . . . 32.0 110.343 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 159.65 -56.72 0.33 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.053 -0.819 . . . . 32.0 111.053 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -99.56 97.82 8.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.103 0.478 . . . . 32.0 110.806 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.94 -54.6 3.32 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.922 -0.871 . . . . 32.0 110.922 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.777 ' O ' ' HB1' ' A' ' 52' ' ' ALA . 29.3 mt-10 -80.41 131.08 35.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.092 0.473 . . . . 32.0 110.5 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.45 HD11 ' CG1' ' A' ' 122' ' ' ILE . 53.9 mt -81.66 129.6 64.78 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 115.842 -0.617 . . . . 32.0 110.038 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.458 ' CA ' ' HB3' ' A' ' 52' ' ' ALA . 51.0 Cg_endo -74.2 139.33 26.4 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.004 1.803 . . . . 32.0 112.266 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.25 148.27 80.62 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.899 -0.591 . . . . 32.0 110.352 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -72.3 -29.24 14.28 Favored 'Trans proline' 0 N--CA 1.471 0.204 0 C-N-CA 122.213 1.942 . . . . 32.0 112.335 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.1 pp -164.27 159.97 20.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.889 -0.596 . . . . 32.0 110.471 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.68 95.18 4.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.82 -0.627 . . . . 32.0 110.404 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -124.88 -142.06 5.81 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.813 -0.915 . . . . 32.0 110.813 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.1 m -137.45 140.09 41.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.092 0.472 . . . . 32.0 110.446 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.761 HG13 HD11 ' A' ' 83' ' ' LEU . 21.7 t -70.9 126.82 31.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.88 -0.6 . . . . 32.0 110.23 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.38 -53.49 3.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.813 -0.63 . . . . 32.0 110.523 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -152.27 148.34 27.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.851 -0.613 . . . . 32.0 110.517 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 28.8 mt -99.89 131.63 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.747 -0.66 . . . . 32.0 110.086 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.443 HD12 HG22 ' A' ' 81' ' ' THR . 12.4 mt -99.37 -34.3 10.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.989 -0.55 . . . . 32.0 110.638 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.763 ' HB ' HG21 ' A' ' 102' ' ' VAL . 33.0 m -109.0 147.29 13.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.177 0.513 . . . . 32.0 110.743 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.3 pttt -135.61 161.73 34.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.623 -0.717 . . . . 32.0 110.09 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -59.32 101.93 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.962 -0.563 . . . . 32.0 110.632 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 140.13 -30.51 2.34 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.866 -0.894 . . . . 32.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -91.04 149.84 21.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.083 0.468 . . . . 32.0 110.458 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 100' ' ' GLY . 1.3 m -97.98 149.83 22.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.832 -0.622 . . . . 32.0 110.354 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.699 HG11 HG11 ' A' ' 70' ' ' VAL . 30.8 m -123.68 169.34 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.869 -0.605 . . . . 32.0 110.519 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -128.76 149.34 50.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.78 -0.645 . . . . 32.0 110.333 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.631 ' HB2' ' HA ' ' A' ' 98' ' ' THR . . . -60.18 98.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.84 -0.618 . . . . 32.0 110.643 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 130.91 -36.3 2.3 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.937 -0.865 . . . . 32.0 110.937 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -63.51 142.75 58.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.082 0.468 . . . . 32.0 110.55 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.443 HG22 HD12 ' A' ' 69' ' ' LEU . 13.8 m -66.65 138.29 57.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.881 -0.6 . . . . 32.0 110.316 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.416 ' HA ' HG13 ' A' ' 70' ' ' VAL . 23.6 m -113.89 -31.13 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.866 -0.606 . . . . 32.0 111.072 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.761 HD11 HG13 ' A' ' 65' ' ' VAL . 7.1 tt -162.17 150.1 14.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.135 0.493 . . . . 32.0 110.625 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.8 t -101.2 137.83 27.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.735 -0.666 . . . . 32.0 110.143 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.782 HD12 HD11 ' A' ' 94' ' ' ILE . 14.3 mt -114.63 162.06 17.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.037 -0.529 . . . . 32.0 110.553 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -136.59 112.99 9.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.788 -0.642 . . . . 32.0 110.44 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -149.49 138.54 21.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.815 -0.63 . . . . 32.0 110.418 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 35.7 mtt 60.69 32.28 20.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.848 -0.614 . . . . 32.0 110.543 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 82.0 mttt 60.5 33.36 20.57 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.859 -0.61 . . . . 32.0 110.49 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.4 ttt -138.17 121.83 17.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.863 -0.608 . . . . 32.0 110.449 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -72.66 125.85 28.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.835 -0.62 . . . . 32.0 110.393 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.9 m -119.6 127.44 52.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.88 -0.6 . . . . 32.0 110.416 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -85.37 140.96 30.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.819 -0.628 . . . . 32.0 110.472 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.782 HD11 HD12 ' A' ' 85' ' ' LEU . 39.2 mm -108.75 118.32 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.83 -0.623 . . . . 32.0 110.3 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -103.08 139.78 38.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.859 -0.61 . . . . 32.0 110.409 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.49 144.37 92.37 Favored Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 115.839 -0.619 . . . . 32.0 110.465 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.404 ' HD3' HD13 ' A' ' 57' ' ' ILE . 49.1 Cg_endo -72.97 -37.04 3.84 Favored 'Trans proline' 0 CA--C 1.527 0.167 0 C-N-CA 122.188 1.926 . . . . 32.0 112.252 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.631 ' HA ' ' HB2' ' A' ' 78' ' ' ALA . 8.4 p -146.96 164.56 32.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.776 -0.647 . . . . 32.0 110.327 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -67.14 142.46 57.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.879 -0.601 . . . . 32.0 110.437 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.478 ' O ' HG22 ' A' ' 75' ' ' THR . . . 172.69 -160.75 31.94 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.869 -0.892 . . . . 32.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -135.06 146.38 48.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.052 0.453 . . . . 32.0 110.469 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.763 HG21 ' HB ' ' A' ' 70' ' ' VAL . 22.8 t -74.63 112.02 11.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.883 -0.599 . . . . 32.0 110.219 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -94.43 -29.3 15.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.88 -0.6 . . . . 32.0 110.755 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -162.13 127.41 3.42 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.074 0.464 . . . . 32.0 110.531 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 107' ' ' VAL . 21.7 t -102.86 110.5 29.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.857 -0.61 . . . . 32.0 110.289 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.7 mt -80.17 -31.95 38.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.763 -0.653 . . . . 32.0 110.472 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 105' ' ' VAL . 33.5 m -81.67 141.83 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.889 -0.596 . . . . 32.0 110.563 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 61.2 mttt -129.28 162.08 28.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.812 -0.631 . . . . 32.0 110.258 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -61.17 145.9 49.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.903 -0.59 . . . . 32.0 110.471 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.3 mmt85 60.35 32.79 20.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.848 -0.615 . . . . 32.0 110.523 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -117.86 148.31 42.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.786 -0.643 . . . . 32.0 110.366 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -91.78 137.69 32.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.882 -0.599 . . . . 32.0 110.519 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 27.9 m -122.55 179.57 2.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.788 -0.642 . . . . 32.0 110.354 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -135.64 143.97 45.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.824 -0.625 . . . . 32.0 110.336 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -58.95 116.96 9.51 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.869 -0.893 . . . . 32.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 103.15 -28.77 14.32 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.927 -0.869 . . . . 32.0 110.927 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -58.54 143.56 45.56 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.096 0.474 . . . . 32.0 110.766 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.779 ' HA2' ' HB2' ' A' ' 52' ' ' ALA . . . -61.37 118.69 15.68 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.775 -0.93 . . . . 32.0 110.775 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 88.0 mt -88.71 -57.7 2.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.087 0.47 . . . . 32.0 110.338 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.485 ' CG2' HG13 ' A' ' 102' ' ' VAL . 52.2 mt -140.92 151.19 20.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.846 -0.616 . . . . 32.0 110.356 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -96.23 127.79 42.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.756 -0.656 . . . . 32.0 110.288 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.45 ' CG1' HD11 ' A' ' 57' ' ' ILE . 36.1 mm -106.93 145.86 13.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.799 -0.637 . . . . 32.0 110.492 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.757 0 CA-C-O 117.985 -1.453 . . . . 32.0 110.73 179.968 . . . . . . . . 0 0 . 1 stop_ save_