data_1d6g_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 1d6g _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.6 ttt . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 121.353 0.596 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -65.6 -46.66 78.51 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 172.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.8 t -82.26 115.72 25.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . 0.403 35.8 m 55.46 70.42 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -73.21 -43.72 60.85 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 173.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.3 m -58.58 -39.51 80.54 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 116.466 2.024 . . . . 0.0 116.466 175.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.65 -40.47 88.67 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 169.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.3 mt -74.34 1.36 11.77 Favored 'General case' 0 CA--C 1.571 1.787 0 N-CA-C 117.488 2.403 . . . . 0.0 117.488 173.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.7 m -113.06 -52.18 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 CA-C-N 120.38 1.445 . . . . 0.0 111.132 166.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -83.77 106.85 15.8 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 175.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.5 -75.37 0.42 Allowed Glycine 0 CA--C 1.541 1.702 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -163.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . 0.381 13.8 t 79.24 -84.52 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.798 1.239 . . . . 0.0 112.651 174.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -80.87 155.22 26.66 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 121.807 0.813 . . . . 0.0 112.199 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 pp -64.43 -10.0 7.56 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.903 0 N-CA-C 117.572 2.434 . . . . 0.0 117.572 169.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 52.0 p -78.01 119.44 77.39 Favored Pre-proline 0 CA--C 1.574 1.884 0 CA-C-N 120.562 1.528 . . . . 0.0 110.358 173.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -63.67 150.53 88.24 Favored 'Trans proline' 0 CA--C 1.569 2.228 0 C-N-CA 123.225 2.617 . . . . 0.0 116.517 -177.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -66.79 136.26 41.27 Favored 'Trans proline' 0 CA--C 1.56 1.824 0 C-N-CA 123.019 2.479 . . . . 0.0 116.035 173.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.5 m -137.38 102.07 4.69 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 158.301 -49.347 125.387 -85.348 108.228 2.004 107.076 142.744 -39.989 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' HG2' ' HG1' ' A' ' 26' ' ' THR . 4.1 tm-20 -116.79 113.34 22.41 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 -174.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.3 tp -107.08 126.99 53.07 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.375 0.67 . . . . 0.0 109.198 174.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.74 -36.19 88.9 Favored Glycine 0 CA--C 1.553 2.454 0 N-CA-C 118.53 2.172 . . . . 0.0 118.53 174.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.0 tp -54.07 -48.36 70.69 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 170.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -72.45 135.62 45.79 Favored 'General case' 0 CA--C 1.562 1.409 0 C-N-CA 123.437 0.695 . . . . 0.0 111.236 170.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -77.64 -67.76 0.69 Allowed 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 118.474 -0.774 . . . . 0.0 111.439 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -84.91 103.19 13.74 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 119.187 0.903 . . . . 0.0 108.712 172.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.4 ' HG1' ' HG2' ' A' ' 19' ' ' GLU . 61.2 p -89.67 89.34 7.76 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 121.676 0.75 . . . . 0.0 109.863 -175.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 pp -97.58 29.68 3.21 Favored 'General case' 0 CA--C 1.57 1.741 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 169.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -90.49 120.26 31.45 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . 0.275 3.9 m 74.13 -69.78 0.17 Allowed 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 124.346 1.058 . . . . 0.0 113.69 -176.802 -39.989 142.744 -85.348 107.076 2.004 108.228 125.387 -49.347 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.0 tt -84.28 128.21 34.43 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.755 1.222 . . . . 0.0 110.999 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -83.88 0.66 46.75 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 118.596 2.813 . . . . 0.0 118.596 -178.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.272 6.9 tp-100 78.08 107.26 0.03 OUTLIER Pre-proline 0 CA--C 1.57 1.741 0 C-N-CA 125.406 1.482 . . . . 0.0 110.252 -173.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -56.61 117.34 3.99 Favored 'Trans proline' 0 C--N 1.372 1.814 0 C-N-CA 123.786 2.991 . . . . 0.0 117.002 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -147.24 109.06 3.93 Favored Pre-proline 0 CA--C 1.565 1.558 0 CA-C-O 117.175 -1.393 . . . . 0.0 108.003 -177.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -83.77 150.21 62.7 Favored 'Cis proline' 0 CA--C 1.559 1.773 0 CA-C-N 123.601 2.322 . . . . 0.0 112.644 -10.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.2 t -84.64 96.93 9.35 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.686 -0.634 . . . . 0.0 110.785 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.269 55.5 pttt -149.38 -118.83 0.05 Allowed 'General case' 0 CA--C 1.567 1.597 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.81 -53.23 3.47 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 119.69 1.132 . . . . 0.0 112.141 166.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . 0.469 4.6 p-90 52.26 -136.76 1.3 Allowed 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 117.221 2.304 . . . . 0.0 117.221 159.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -56.94 -45.76 99.93 Favored Pre-proline 0 CA--C 1.571 1.773 0 CA-C-O 115.037 -2.411 . . . . 0.0 115.611 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -45.62 -44.97 16.92 Favored 'Trans proline' 0 CA--C 1.563 1.938 0 CA-C-N 125.387 2.96 . . . . 0.0 118.867 166.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.45 -45.22 91.86 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 170.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -62.26 -36.09 80.97 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 116.111 1.893 . . . . 0.0 116.111 174.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.6 t -67.7 -41.4 85.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 C-N-CA 124.3 1.04 . . . . 0.0 113.007 175.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.8 pt -70.58 -6.98 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 N-CA-C 116.45 2.019 . . . . 0.0 116.45 165.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . 0.286 7.4 mp 74.64 82.68 0.11 Allowed 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 125.821 1.648 . . . . 0.0 109.926 -177.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.4 tp . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 105.685 -1.969 . . . . 0.0 105.685 -176.692 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.1 t70 . . . . . 0 CA--C 1.554 1.135 0 CA-C-O 121.667 0.746 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -68.59 -56.09 9.43 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 118.056 -0.974 . . . . 0.0 112.794 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 22.1 mmt -76.09 95.25 3.6 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-N 119.841 1.2 . . . . 0.0 108.593 163.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.87 -53.43 0.21 Allowed Glycine 0 CA--C 1.543 1.802 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.608 -152.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -52.62 -57.91 8.52 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 170.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 24.1 ptm -125.96 86.42 2.53 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 156.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -62.03 -35.98 80.2 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 115.98 1.844 . . . . 0.0 115.98 170.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -55.9 -44.73 78.52 Favored 'General case' 0 CA--C 1.565 1.54 0 N-CA-C 116.558 2.058 . . . . 0.0 116.558 166.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.205 0 O-C-N 118.983 -2.323 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.6 ttt . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 121.353 0.596 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -65.6 -46.66 78.51 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 172.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.8 t -82.26 115.72 25.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . 0.403 35.8 m 55.46 70.42 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -73.21 -43.72 60.85 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 173.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.3 m -58.58 -39.51 80.54 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 116.466 2.024 . . . . 0.0 116.466 175.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.65 -40.47 88.67 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 169.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.3 mt -74.34 1.36 11.77 Favored 'General case' 0 CA--C 1.571 1.787 0 N-CA-C 117.488 2.403 . . . . 0.0 117.488 173.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.7 m -113.06 -52.18 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 CA-C-N 120.38 1.445 . . . . 0.0 111.132 166.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -83.77 106.85 15.8 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 175.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.5 -75.37 0.42 Allowed Glycine 0 CA--C 1.541 1.702 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -163.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . 0.381 13.8 t 79.24 -84.52 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.798 1.239 . . . . 0.0 112.651 174.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -80.87 155.22 26.66 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 121.807 0.813 . . . . 0.0 112.199 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 pp -64.43 -10.0 7.56 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.903 0 N-CA-C 117.572 2.434 . . . . 0.0 117.572 169.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 52.0 p -78.01 119.44 77.39 Favored Pre-proline 0 CA--C 1.574 1.884 0 CA-C-N 120.562 1.528 . . . . 0.0 110.358 173.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -63.67 150.53 88.24 Favored 'Trans proline' 0 CA--C 1.569 2.228 0 C-N-CA 123.225 2.617 . . . . 0.0 116.517 -177.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -66.79 136.26 41.27 Favored 'Trans proline' 0 CA--C 1.56 1.824 0 C-N-CA 123.019 2.479 . . . . 0.0 116.035 173.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.5 m -137.38 102.07 4.69 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 158.301 -49.347 125.387 -85.348 108.228 2.004 107.076 142.744 -39.989 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -116.79 113.34 22.41 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 -174.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.3 tp -107.08 126.99 53.07 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.375 0.67 . . . . 0.0 109.198 174.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.74 -36.19 88.9 Favored Glycine 0 CA--C 1.553 2.454 0 N-CA-C 118.53 2.172 . . . . 0.0 118.53 174.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.0 tp -54.07 -48.36 70.69 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 170.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -72.45 135.62 45.79 Favored 'General case' 0 CA--C 1.562 1.409 0 C-N-CA 123.437 0.695 . . . . 0.0 111.236 170.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -77.64 -67.76 0.69 Allowed 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 118.474 -0.774 . . . . 0.0 111.439 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -84.91 103.19 13.74 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 119.187 0.903 . . . . 0.0 108.712 172.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.2 p -89.67 89.34 7.76 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 121.676 0.75 . . . . 0.0 109.863 -175.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 pp -97.58 29.68 3.21 Favored 'General case' 0 CA--C 1.57 1.741 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 169.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -90.49 120.26 31.45 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . 0.275 3.9 m 74.13 -69.78 0.17 Allowed 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 124.346 1.058 . . . . 0.0 113.69 -176.802 -39.989 142.744 -85.348 107.076 2.004 108.228 125.387 -49.347 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.0 tt -84.28 128.21 34.43 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.755 1.222 . . . . 0.0 110.999 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -83.88 0.66 46.75 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 118.596 2.813 . . . . 0.0 118.596 -178.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.272 6.9 tp-100 78.08 107.26 0.03 OUTLIER Pre-proline 0 CA--C 1.57 1.741 0 C-N-CA 125.406 1.482 . . . . 0.0 110.252 -173.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -56.61 117.34 3.99 Favored 'Trans proline' 0 C--N 1.372 1.814 0 C-N-CA 123.786 2.991 . . . . 0.0 117.002 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -147.24 109.06 3.93 Favored Pre-proline 0 CA--C 1.565 1.558 0 CA-C-O 117.175 -1.393 . . . . 0.0 108.003 -177.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -83.77 150.21 62.7 Favored 'Cis proline' 0 CA--C 1.559 1.773 0 CA-C-N 123.601 2.322 . . . . 0.0 112.644 -10.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.2 t -84.64 96.93 9.35 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.686 -0.634 . . . . 0.0 110.785 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.269 55.5 pttt -149.38 -118.83 0.05 Allowed 'General case' 0 CA--C 1.567 1.597 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.81 -53.23 3.47 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 119.69 1.132 . . . . 0.0 112.141 166.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . 0.469 4.6 p-90 52.26 -136.76 1.3 Allowed 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 117.221 2.304 . . . . 0.0 117.221 159.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -56.94 -45.76 99.93 Favored Pre-proline 0 CA--C 1.571 1.773 0 CA-C-O 115.037 -2.411 . . . . 0.0 115.611 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -45.62 -44.97 16.92 Favored 'Trans proline' 0 CA--C 1.563 1.938 0 CA-C-N 125.387 2.96 . . . . 0.0 118.867 166.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.45 -45.22 91.86 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 170.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -62.26 -36.09 80.97 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 116.111 1.893 . . . . 0.0 116.111 174.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.6 t -67.7 -41.4 85.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 C-N-CA 124.3 1.04 . . . . 0.0 113.007 175.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.8 pt -70.58 -6.98 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 N-CA-C 116.45 2.019 . . . . 0.0 116.45 165.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . 0.286 7.4 mp 74.64 82.68 0.11 Allowed 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 125.821 1.648 . . . . 0.0 109.926 -177.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.4 tp . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 105.685 -1.969 . . . . 0.0 105.685 -176.692 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.1 t70 . . . . . 0 CA--C 1.554 1.135 0 CA-C-O 121.667 0.746 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -68.59 -56.09 9.43 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 118.056 -0.974 . . . . 0.0 112.794 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 22.1 mmt -76.09 95.25 3.6 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-N 119.841 1.2 . . . . 0.0 108.593 163.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.87 -53.43 0.21 Allowed Glycine 0 CA--C 1.543 1.802 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.608 -152.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -52.62 -57.91 8.52 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 170.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 24.1 ptm -125.96 86.42 2.53 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 156.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -62.03 -35.98 80.2 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 115.98 1.844 . . . . 0.0 115.98 170.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -55.9 -44.73 78.52 Favored 'General case' 0 CA--C 1.565 1.54 0 N-CA-C 116.558 2.058 . . . . 0.0 116.558 166.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.205 0 O-C-N 118.983 -2.323 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.6 ttt . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 121.353 0.596 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -65.6 -46.66 78.51 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 172.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.8 t -82.26 115.72 25.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . 0.403 35.8 m 55.46 70.42 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -73.21 -43.72 60.85 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 173.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.3 m -58.58 -39.51 80.54 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 116.466 2.024 . . . . 0.0 116.466 175.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.6 mt -66.65 -40.47 88.67 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 169.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.3 mt -74.34 1.36 11.77 Favored 'General case' 0 CA--C 1.571 1.787 0 N-CA-C 117.488 2.403 . . . . 0.0 117.488 173.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.7 m -113.06 -52.18 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 CA-C-N 120.38 1.445 . . . . 0.0 111.132 166.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -83.77 106.85 15.8 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 175.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.5 -75.37 0.42 Allowed Glycine 0 CA--C 1.541 1.702 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -163.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . 0.381 13.8 t 79.24 -84.52 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.798 1.239 . . . . 0.0 112.651 174.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -80.87 155.22 26.66 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 121.807 0.813 . . . . 0.0 112.199 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.0 pp -64.43 -10.0 7.56 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.903 0 N-CA-C 117.572 2.434 . . . . 0.0 117.572 169.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 52.0 p -78.01 119.44 77.39 Favored Pre-proline 0 CA--C 1.574 1.884 0 CA-C-N 120.562 1.528 . . . . 0.0 110.358 173.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -63.67 150.53 88.24 Favored 'Trans proline' 0 CA--C 1.569 2.228 0 C-N-CA 123.225 2.617 . . . . 0.0 116.517 -177.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -66.79 136.26 41.27 Favored 'Trans proline' 0 CA--C 1.56 1.824 0 C-N-CA 123.019 2.479 . . . . 0.0 116.035 173.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.5 m -137.38 102.07 4.69 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 158.301 -49.347 125.387 -85.348 108.228 2.004 107.076 142.744 -39.989 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -116.79 113.34 22.41 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 -174.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 48.3 tp -107.08 126.99 53.07 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.375 0.67 . . . . 0.0 109.198 174.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.74 -36.19 88.9 Favored Glycine 0 CA--C 1.553 2.454 0 N-CA-C 118.53 2.172 . . . . 0.0 118.53 174.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.0 tp -54.07 -48.36 70.69 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 170.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -72.45 135.62 45.79 Favored 'General case' 0 CA--C 1.562 1.409 0 C-N-CA 123.437 0.695 . . . . 0.0 111.236 170.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -77.64 -67.76 0.69 Allowed 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 118.474 -0.774 . . . . 0.0 111.439 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -84.91 103.19 13.74 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 119.187 0.903 . . . . 0.0 108.712 172.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.2 p -89.67 89.34 7.76 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 121.676 0.75 . . . . 0.0 109.863 -175.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 pp -97.58 29.68 3.21 Favored 'General case' 0 CA--C 1.57 1.741 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 169.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -90.49 120.26 31.45 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . 0.275 3.9 m 74.13 -69.78 0.17 Allowed 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 124.346 1.058 . . . . 0.0 113.69 -176.802 -39.989 142.744 -85.348 107.076 2.004 108.228 125.387 -49.347 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.0 tt -84.28 128.21 34.43 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.755 1.222 . . . . 0.0 110.999 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -83.88 0.66 46.75 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 118.596 2.813 . . . . 0.0 118.596 -178.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.272 6.9 tp-100 78.08 107.26 0.03 OUTLIER Pre-proline 0 CA--C 1.57 1.741 0 C-N-CA 125.406 1.482 . . . . 0.0 110.252 -173.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -56.61 117.34 3.99 Favored 'Trans proline' 0 C--N 1.372 1.814 0 C-N-CA 123.786 2.991 . . . . 0.0 117.002 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.2 mtt85 -147.24 109.06 3.93 Favored Pre-proline 0 CA--C 1.565 1.558 0 CA-C-O 117.175 -1.393 . . . . 0.0 108.003 -177.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -83.77 150.21 62.7 Favored 'Cis proline' 0 CA--C 1.559 1.773 0 CA-C-N 123.601 2.322 . . . . 0.0 112.644 -10.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.2 t -84.64 96.93 9.35 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.686 -0.634 . . . . 0.0 110.785 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.269 55.5 pttt -149.38 -118.83 0.05 Allowed 'General case' 0 CA--C 1.567 1.597 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.81 -53.23 3.47 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 119.69 1.132 . . . . 0.0 112.141 166.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . 0.469 4.6 p-90 52.26 -136.76 1.3 Allowed 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 117.221 2.304 . . . . 0.0 117.221 159.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -56.94 -45.76 99.93 Favored Pre-proline 0 CA--C 1.571 1.773 0 CA-C-O 115.037 -2.411 . . . . 0.0 115.611 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -45.62 -44.97 16.92 Favored 'Trans proline' 0 CA--C 1.563 1.938 0 CA-C-N 125.387 2.96 . . . . 0.0 118.867 166.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.45 -45.22 91.86 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 115.65 1.722 . . . . 0.0 115.65 170.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -62.26 -36.09 80.97 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 116.111 1.893 . . . . 0.0 116.111 174.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.6 t -67.7 -41.4 85.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 C-N-CA 124.3 1.04 . . . . 0.0 113.007 175.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 31.8 pt -70.58 -6.98 7.86 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 N-CA-C 116.45 2.019 . . . . 0.0 116.45 165.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . 0.286 7.4 mp 74.64 82.68 0.11 Allowed 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 125.821 1.648 . . . . 0.0 109.926 -177.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.4 tp . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 105.685 -1.969 . . . . 0.0 105.685 -176.692 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.1 t70 . . . . . 0 CA--C 1.554 1.135 0 CA-C-O 121.667 0.746 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -68.59 -56.09 9.43 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 118.056 -0.974 . . . . 0.0 112.794 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 22.1 mmt -76.09 95.25 3.6 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-N 119.841 1.2 . . . . 0.0 108.593 163.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.87 -53.43 0.21 Allowed Glycine 0 CA--C 1.543 1.802 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.608 -152.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -52.62 -57.91 8.52 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 170.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 24.1 ptm -125.96 86.42 2.53 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 156.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -62.03 -35.98 80.2 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 115.98 1.844 . . . . 0.0 115.98 170.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -55.9 -44.73 78.52 Favored 'General case' 0 CA--C 1.565 1.54 0 N-CA-C 116.558 2.058 . . . . 0.0 116.558 166.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.205 0 O-C-N 118.983 -2.323 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_