data_2af8_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 2af8 _Structure_validation_residue.Date_analyzed 2016-10-07 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 . . . . . . . . . . . . . 4.9 ptp . . . . . 0 N--CA 1.493 1.681 0 N-CA-C 109.972 -0.381 . . . . 8.9600000000000009 109.972 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.37 89.51 4.98 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.092 0.472 . . . . 6.0499999999999998 110.446 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.8 m -132.42 102.04 5.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.701 -0.681 . . . . 5.4000000000000004 110.4 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.6 mp -90.65 -69.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.832 -0.622 . . . . 3.9199999999999999 110.515 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -137.69 145.04 42.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.785 -0.643 . . . . 2.1499999999999999 110.194 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.0 p -130.48 167.63 18.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.915 -0.584 . . . . 2.3700000000000001 110.722 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.9 m -59.76 -42.78 94.03 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.566 -0.743 . . . . 1.47 110.221 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.19 -28.73 68.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 2.4100000000000001 110.4 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -68.93 -53.26 21.91 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.787 -0.642 . . . . 1.5700000000000001 111.056 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -57.61 -32.5 67.28 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.193 0.521 . . . . 2.0 110.619 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -64.48 -47.47 78.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.552 -0.749 . . . . 3.6499999999999999 110.421 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -59.27 -33.06 70.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.787 -0.642 . . . . 4.2199999999999998 110.845 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.35 -30.46 62.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.937 -0.574 . . . . 1.55 110.787 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.42 -25.4 54.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.002 -0.545 . . . . 1.3300000000000001 111.06 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.1 t -87.61 -27.37 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.363 -0.381 . . . . 1.6599999999999999 110.647 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -57.22 -30.45 64.6 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.013 0.435 . . . . 3.02 110.859 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 61.1 m -76.23 -33.06 59.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.964 -0.562 . . . . 2.4300000000000002 110.508 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.39 -63.77 1.17 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.786 -0.643 . . . . 2.4700000000000002 110.503 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.8 -82.0 0.32 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.807 -0.917 . . . . 2.5600000000000001 110.807 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -150.17 134.06 16.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.102 0.477 . . . . 6.0800000000000001 110.375 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 t 179.87 119.48 0.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.832 -0.622 . . . . 3.6099999999999999 110.351 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -99.2 31.23 3.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.715 -0.675 . . . . 5.71 110.489 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.79 -119.45 2.98 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.782 -0.927 . . . . 4.5899999999999999 110.782 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m 64.04 132.84 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.326 0.584 . . . . 3.6000000000000001 110.589 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -129.82 77.07 1.76 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.462 -0.79 . . . . 4.4100000000000001 110.075 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.412 HD12 ' CD2' ' A' ' 30' ' ' PHE . 41.5 mt -99.53 90.61 4.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.674 -0.694 . . . . 3.8999999999999999 110.569 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.3 m -103.1 32.55 3.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.711 -0.677 . . . . 4.6100000000000003 110.325 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -173.11 -79.94 0.05 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.799 -0.92 . . . . 2.9399999999999999 110.799 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.65 159.18 44.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.02 0.438 . . . . 2.7799999999999998 110.49 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.423 ' CD1' ' HG ' ' A' ' 31' ' ' LEU . 11.7 p90 -131.68 23.32 4.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.9 -0.591 . . . . 2.6099999999999999 111.17 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.423 ' HG ' ' CD1' ' A' ' 30' ' ' PHE . 47.1 mt -121.1 64.76 0.87 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.466 0.65 . . . . 1.6899999999999999 110.53 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -132.65 -47.65 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.359 -0.837 . . . . 1.71 110.121 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 mp -151.35 39.34 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.665 -0.698 . . . . 3.4500000000000002 110.105 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -60.32 -36.61 78.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.606 -0.725 . . . . 3.8599999999999999 110.743 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.417 ' CE1' ' HA ' ' A' ' 71' ' ' PRO . 9.9 m-85 -76.15 -32.14 58.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.978 -0.555 . . . . 2.21 110.412 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -99.51 62.75 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.439 0.638 . . . . 3.0600000000000001 110.179 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -132.63 -65.66 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.628 -0.715 . . . . 2.5899999999999999 110.657 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.426 HD13 ' CE2' ' A' ' 40' ' ' TYR . 40.5 pt -85.16 -33.28 7.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.263 0.554 . . . . 2.8199999999999998 110.562 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.57 45.76 0.1 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.698 -0.961 . . . . 2.4100000000000001 110.698 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.426 ' CE2' HD13 ' A' ' 38' ' ' ILE . 1.7 m-85 -89.49 72.41 7.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.227 0.537 . . . . 2.8100000000000001 109.924 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -68.07 -48.63 65.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.85 -0.614 . . . . 2.6299999999999999 110.63 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.2 p 176.8 -48.27 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.058 -0.519 . . . . 2.6800000000000002 110.833 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.7 mt -55.72 -39.24 70.81 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.945 -0.571 . . . . 3.5800000000000001 111.205 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.42 ' HB1' ' CD1' ' A' ' 40' ' ' TYR . . . -63.07 -49.04 76.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.99 -0.55 . . . . 2.02 110.641 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.418 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 1.6 pp -89.76 8.49 31.52 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.863 -0.608 . . . . 1.3700000000000001 111.96 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.7 ttt -73.41 -59.67 2.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.077 0.465 . . . . 3.0499999999999998 110.673 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -61.11 -38.48 86.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.852 -0.613 . . . . 3.0600000000000001 110.728 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.2 m -60.78 -45.15 95.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.93 -0.577 . . . . 2.23 110.629 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.34 -24.41 63.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.881 -0.599 . . . . 1.55 111.142 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.66 -61.44 1.89 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.015 0.436 . . . . 1.6699999999999999 110.994 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.6 mtt85 -60.64 -36.62 79.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.015 -0.538 . . . . 4.2199999999999998 110.784 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.4 ' O ' ' CD1' ' A' ' 56' ' ' TYR . 6.2 mp -69.4 -26.33 64.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.903 -0.59 . . . . 3.0800000000000001 110.802 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -70.27 -29.03 65.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 3.1400000000000001 110.87 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -80.72 -52.39 7.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.018 0.437 . . . . 2.1800000000000002 110.869 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -59.46 -29.76 68.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.916 -0.583 . . . . 4.4500000000000002 111.054 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 52' ' ' LEU . 7.0 m-85 -82.8 -32.16 27.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.044 -0.526 . . . . 3.04 110.557 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.06 23.18 38.94 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.289 -0.724 . . . . 2.02 111.289 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.1 p -94.29 162.15 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-O 121.016 0.436 . . . . 2.52 110.064 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.6 m -59.35 -169.63 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.022 -0.535 . . . . 3.52 110.422 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 16.2 tt -114.82 82.55 8.35 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-N 116.14 -0.482 . . . . 5.71 110.652 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -81.59 105.99 1.63 Allowed 'Trans proline' 0 N--CA 1.474 0.349 0 C-N-CA 121.832 1.688 . . . . 3.4700000000000002 112.222 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.29 -24.39 14.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.952 -0.567 . . . . 2.8199999999999998 111.192 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.3 -71.29 0.39 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.065 0.459 . . . . 2.7000000000000002 111.102 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.1 p -60.83 -44.49 97.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.908 -0.587 . . . . 1.8999999999999999 111.068 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.1 -41.48 73.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 1.3700000000000001 110.821 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.36 -27.97 63.92 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.184 -0.767 . . . . 1.1799999999999999 111.184 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -123.64 39.5 3.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.156 0.503 . . . . 4.0899999999999999 110.614 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.405 HG12 ' CE2' ' A' ' 35' ' ' PHE . 13.1 p -81.02 113.59 20.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.875 -0.602 . . . . 1.25 110.168 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -100.65 -32.55 10.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.89 -0.596 . . . . 2.1200000000000001 110.461 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 p -87.36 147.86 43.16 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-N 115.927 -0.579 . . . . 1.3 110.407 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.417 ' HA ' ' CE1' ' A' ' 35' ' ' PHE . 40.8 Cg_endo -82.94 -49.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 121.837 1.691 . . . . 0.71999999999999997 112.481 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -60.5 -24.72 65.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.804 -0.635 . . . . 2.1299999999999999 110.767 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -68.52 -36.15 78.45 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.098 0.475 . . . . 2.1800000000000002 110.31 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.0 tp -60.67 -45.17 95.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.847 -0.615 . . . . 1.9199999999999999 110.443 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.42 -50.71 71.74 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 115.943 -0.572 . . . . 1.3200000000000001 110.054 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.4 -14.3 61.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.258 -0.428 . . . . 1.8899999999999999 111.317 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.4 tp -76.94 -66.04 0.87 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.964 0.411 . . . . 2.3599999999999999 110.983 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 8.5 mt -62.21 -44.51 99.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 121.383 0.611 . . . . 2.04 110.102 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -59.76 -33.92 72.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.149 -0.932 . . . . 0.97999999999999998 110.591 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.92 -47.35 83.7 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.787 -0.925 . . . . 0.95999999999999996 110.787 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.64 -32.18 72.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.073 0.463 . . . . 1.5800000000000001 110.427 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.4 mt -71.45 -32.11 67.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.872 -0.603 . . . . 2.4900000000000002 110.53 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.13 -57.66 10.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.916 -0.584 . . . . 1.5700000000000001 110.412 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.76 -32.43 72.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.837 -0.619 . . . . 3.52 110.448 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.11 -32.91 74.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.905 -0.589 . . . . 2.3900000000000001 110.423 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.99 -1.005 . . . . 3.6600000000000001 110.373 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 ptp . . . . . 0 N--CA 1.493 1.681 0 N-CA-C 109.972 -0.381 . . . . 8.5800000000000001 109.972 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.37 89.51 4.98 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.092 0.472 . . . . 5.5700000000000003 110.446 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.8 m -132.42 102.04 5.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.701 -0.681 . . . . 5.0499999999999998 110.4 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.756 ' O ' HD22 ' A' ' 5' ' ' LEU . 10.6 mp -90.65 -69.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.832 -0.622 . . . . 3.5299999999999998 110.515 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.756 HD22 ' O ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -137.69 145.04 42.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.785 -0.643 . . . . 1.6299999999999999 110.194 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.0 p -130.48 167.63 18.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.915 -0.584 . . . . 1.8 110.722 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.629 HG23 HD11 ' A' ' 31' ' ' LEU . 34.9 m -59.76 -42.78 94.03 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.566 -0.743 . . . . 0.88 110.221 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.19 -28.73 68.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 2.4100000000000001 110.4 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -68.93 -53.26 21.91 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.787 -0.642 . . . . 1.5700000000000001 111.056 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.781 HD12 HD12 ' A' ' 14' ' ' LEU . 1.1 pp -57.61 -32.5 67.28 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.193 0.521 . . . . 1.4199999999999999 110.619 -179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.517 ' O ' HG23 ' A' ' 15' ' ' VAL . 6.0 ttp180 -64.48 -47.47 78.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.552 -0.749 . . . . 3.02 110.421 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -59.27 -33.06 70.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.787 -0.642 . . . . 3.71 110.845 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.35 -30.46 62.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.937 -0.574 . . . . 0.94999999999999996 110.787 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.781 HD12 HD12 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -76.42 -25.4 54.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.002 -0.545 . . . . 0.85999999999999999 111.06 -179.779 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 11' ' ' ARG . 25.1 t -87.61 -27.37 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.363 -0.381 . . . . 1.04 110.647 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -57.22 -30.45 64.6 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.013 0.435 . . . . 3.02 110.859 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.507 ' SG ' HG21 ' A' ' 48' ' ' THR . 61.1 m -76.23 -33.06 59.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.964 -0.562 . . . . 2.02 110.508 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.39 -63.77 1.17 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.786 -0.643 . . . . 2.29 110.503 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.8 -82.0 0.32 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.807 -0.917 . . . . 2.5600000000000001 110.807 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -150.17 134.06 16.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.102 0.477 . . . . 6.0800000000000001 110.375 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 t 179.87 119.48 0.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.832 -0.622 . . . . 3.29 110.351 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -99.2 31.23 3.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.715 -0.675 . . . . 5.6200000000000001 110.489 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.79 -119.45 2.98 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.782 -0.927 . . . . 4.1600000000000001 110.782 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.583 HG22 ' HG ' ' A' ' 26' ' ' LEU . 1.2 m 64.04 132.84 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.326 0.584 . . . . 3.2799999999999998 110.589 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -129.82 77.07 1.76 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.462 -0.79 . . . . 4.4100000000000001 110.075 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.737 HD22 ' HB3' ' A' ' 30' ' ' PHE . 41.5 mt -99.53 90.61 4.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.674 -0.694 . . . . 3.4300000000000002 110.569 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.3 m -103.1 32.55 3.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.711 -0.677 . . . . 4.1799999999999997 110.325 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -173.11 -79.94 0.05 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.799 -0.92 . . . . 2.6499999999999999 110.799 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.65 159.18 44.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.02 0.438 . . . . 2.7799999999999998 110.49 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.737 ' HB3' HD22 ' A' ' 26' ' ' LEU . 11.7 p90 -131.68 23.32 4.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.9 -0.591 . . . . 1.72 111.17 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.629 HD11 HG23 ' A' ' 7' ' ' THR . 47.1 mt -121.1 64.76 0.87 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.466 0.65 . . . . 1.6899999999999999 110.53 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.568 ' C ' HD12 ' A' ' 33' ' ' LEU . 16.5 m-20 -132.65 -47.65 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.359 -0.837 . . . . 1.71 110.121 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.568 HD12 ' C ' ' A' ' 32' ' ' ASP . 3.4 mp -151.35 39.34 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.665 -0.698 . . . . 2.8999999999999999 110.105 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -60.32 -36.61 78.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.606 -0.725 . . . . 3.3100000000000001 110.743 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.757 ' CE2' HD22 ' A' ' 45' ' ' LEU . 9.9 m-85 -76.15 -32.14 58.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.978 -0.555 . . . . 1.3600000000000001 110.412 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -99.51 62.75 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.439 0.638 . . . . 3.0600000000000001 110.179 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -132.63 -65.66 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.628 -0.715 . . . . 2.5899999999999999 110.657 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.901 HD11 ' CE2' ' A' ' 40' ' ' TYR . 40.5 pt -85.16 -33.28 7.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.263 0.554 . . . . 2.3300000000000001 110.562 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.57 45.76 0.1 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.698 -0.961 . . . . 2.3100000000000001 110.698 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.901 ' CE2' HD11 ' A' ' 38' ' ' ILE . 1.7 m-85 -89.49 72.41 7.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.227 0.537 . . . . 2.2799999999999998 109.924 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -68.07 -48.63 65.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.85 -0.614 . . . . 2.6299999999999999 110.63 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.2 p 176.8 -48.27 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.058 -0.519 . . . . 2.21 110.833 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.7 mt -55.72 -39.24 70.81 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.945 -0.571 . . . . 3.0899999999999999 111.205 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.523 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . . . -63.07 -49.04 76.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.99 -0.55 . . . . 1.51 110.641 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.757 HD22 ' CE2' ' A' ' 35' ' ' PHE . 1.6 pp -89.76 8.49 31.52 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.863 -0.608 . . . . 0.93999999999999995 111.96 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.7 ttt -73.41 -59.67 2.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.077 0.465 . . . . 2.6299999999999999 110.673 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -61.11 -38.48 86.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.852 -0.613 . . . . 3.0600000000000001 110.728 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.63 ' O ' HD13 ' A' ' 52' ' ' LEU . 26.2 m -60.78 -45.15 95.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.93 -0.577 . . . . 1.8700000000000001 110.629 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.34 -24.41 63.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.881 -0.599 . . . . 1.1100000000000001 111.142 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.66 -61.44 1.89 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.015 0.436 . . . . 1.1699999999999999 110.994 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.6 mtt85 -60.64 -36.62 79.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.015 -0.538 . . . . 3.6699999999999999 110.784 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.63 HD13 ' O ' ' A' ' 48' ' ' THR . 6.2 mp -69.4 -26.33 64.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.903 -0.59 . . . . 2.5800000000000001 110.802 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -70.27 -29.03 65.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 3.1400000000000001 110.87 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -80.72 -52.39 7.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.018 0.437 . . . . 1.8 110.869 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -59.46 -29.76 68.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.916 -0.583 . . . . 3.9100000000000001 111.054 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 52' ' ' LEU . 7.0 m-85 -82.8 -32.16 27.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.044 -0.526 . . . . 2.2599999999999998 110.557 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.06 23.18 38.94 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.289 -0.724 . . . . 1.8100000000000001 111.289 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.696 HG23 ' HB3' ' A' ' 81' ' ' ALA . 11.1 p -94.29 162.15 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-O 121.016 0.436 . . . . 2.5099999999999998 110.064 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.512 ' N ' HG22 ' A' ' 58' ' ' VAL . 10.6 m -59.35 -169.63 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.022 -0.535 . . . . 3.1299999999999999 110.422 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.63 HG23 ' O ' ' A' ' 60' ' ' ILE . 16.2 tt -114.82 82.55 8.35 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-N 116.14 -0.482 . . . . 5.2599999999999998 110.652 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.759 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 39.8 Cg_endo -81.59 105.99 1.63 Allowed 'Trans proline' 0 N--CA 1.474 0.349 0 C-N-CA 121.832 1.688 . . . . 2.8300000000000001 112.222 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.29 -24.39 14.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.952 -0.567 . . . . 2.8199999999999998 111.192 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.3 -71.29 0.39 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.065 0.459 . . . . 2.7000000000000002 111.102 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.963 HG11 HD11 ' A' ' 77' ' ' LEU . 14.1 p -60.83 -44.49 97.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.908 -0.587 . . . . 1.3300000000000001 111.068 -179.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' A' ' 61' ' ' PRO . . . -70.1 -41.48 73.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.94999999999999996 110.821 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.36 -27.97 63.92 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.184 -0.767 . . . . 1.1699999999999999 111.184 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -123.64 39.5 3.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.156 0.503 . . . . 3.5099999999999998 110.614 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.568 ' O ' HG13 ' A' ' 68' ' ' VAL . 13.1 p -81.02 113.59 20.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.875 -0.602 . . . . 0.70999999999999996 110.168 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -100.65 -32.55 10.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.89 -0.596 . . . . 2.1200000000000001 110.461 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 p -87.36 147.86 43.16 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-N 115.927 -0.579 . . . . 0.75 110.407 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.474 ' HB2' HD23 ' A' ' 31' ' ' LEU . 40.8 Cg_endo -82.94 -49.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 121.837 1.691 . . . . 0.66000000000000003 112.481 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -60.5 -24.72 65.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.804 -0.635 . . . . 1.74 110.767 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -68.52 -36.15 78.45 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.098 0.475 . . . . 2.1800000000000002 110.31 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.0 tp -60.67 -45.17 95.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.847 -0.615 . . . . 1.3100000000000001 110.443 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.444 ' HB2' HD22 ' A' ' 10' ' ' LEU . 5.9 tp -61.42 -50.71 71.74 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 115.943 -0.572 . . . . 0.70999999999999996 110.054 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.4 -14.3 61.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.258 -0.428 . . . . 1.8899999999999999 111.317 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.963 HD11 HG11 ' A' ' 64' ' ' VAL . 14.4 tp -76.94 -66.04 0.87 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.964 0.411 . . . . 1.79 110.983 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.581 HG23 HG11 ' A' ' 58' ' ' VAL . 8.5 mt -62.21 -44.51 99.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 121.383 0.611 . . . . 1.45 110.102 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.401 HD21 ' C ' ' A' ' 79' ' ' ASN . 0.2 OUTLIER -59.76 -33.92 72.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.149 -0.932 . . . . 0.92000000000000004 110.591 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.92 -47.35 83.7 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.787 -0.925 . . . . 0.95999999999999996 110.787 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.696 ' HB3' HG23 ' A' ' 58' ' ' VAL . . . -61.64 -32.18 72.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.073 0.463 . . . . 1.1499999999999999 110.427 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.689 ' HB3' HD23 ' A' ' 4' ' ' LEU . 64.4 mt -71.45 -32.11 67.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.872 -0.603 . . . . 1.8899999999999999 110.53 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.13 -57.66 10.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.916 -0.584 . . . . 1.27 110.412 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.76 -32.43 72.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.837 -0.619 . . . . 3.52 110.448 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.11 -32.91 74.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.905 -0.589 . . . . 2.3900000000000001 110.423 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.99 -1.005 . . . . 3.6600000000000001 110.373 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 ptp . . . . . 0 N--CA 1.493 1.681 0 N-CA-C 109.972 -0.381 . . . . 8.5800000000000001 109.972 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.37 89.51 4.98 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.092 0.472 . . . . 5.5700000000000003 110.446 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.8 m -132.42 102.04 5.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.701 -0.681 . . . . 5.0499999999999998 110.4 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.756 ' O ' HD22 ' A' ' 5' ' ' LEU . 10.6 mp -90.65 -69.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.832 -0.622 . . . . 3.5299999999999998 110.515 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.756 HD22 ' O ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -137.69 145.04 42.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.785 -0.643 . . . . 1.6299999999999999 110.194 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.0 p -130.48 167.63 18.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.915 -0.584 . . . . 1.8 110.722 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.629 HG23 HD11 ' A' ' 31' ' ' LEU . 34.9 m -59.76 -42.78 94.03 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.566 -0.743 . . . . 0.88 110.221 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.19 -28.73 68.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 2.4100000000000001 110.4 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -68.93 -53.26 21.91 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.787 -0.642 . . . . 1.5700000000000001 111.056 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.781 HD12 HD12 ' A' ' 14' ' ' LEU . 1.1 pp -57.61 -32.5 67.28 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.193 0.521 . . . . 1.4199999999999999 110.619 -179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.517 ' O ' HG23 ' A' ' 15' ' ' VAL . 6.0 ttp180 -64.48 -47.47 78.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.552 -0.749 . . . . 3.02 110.421 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -59.27 -33.06 70.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.787 -0.642 . . . . 3.71 110.845 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.35 -30.46 62.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.937 -0.574 . . . . 0.94999999999999996 110.787 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.781 HD12 HD12 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -76.42 -25.4 54.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.002 -0.545 . . . . 0.85999999999999999 111.06 -179.779 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 11' ' ' ARG . 25.1 t -87.61 -27.37 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.363 -0.381 . . . . 1.04 110.647 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -57.22 -30.45 64.6 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.013 0.435 . . . . 3.02 110.859 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.507 ' SG ' HG21 ' A' ' 48' ' ' THR . 61.1 m -76.23 -33.06 59.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.964 -0.562 . . . . 2.02 110.508 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.39 -63.77 1.17 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.786 -0.643 . . . . 2.29 110.503 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.8 -82.0 0.32 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.807 -0.917 . . . . 2.5600000000000001 110.807 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -150.17 134.06 16.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.102 0.477 . . . . 6.0800000000000001 110.375 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 t 179.87 119.48 0.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.832 -0.622 . . . . 3.29 110.351 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -99.2 31.23 3.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.715 -0.675 . . . . 5.6200000000000001 110.489 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.79 -119.45 2.98 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.782 -0.927 . . . . 4.1600000000000001 110.782 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.583 HG22 ' HG ' ' A' ' 26' ' ' LEU . 1.2 m 64.04 132.84 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.326 0.584 . . . . 3.2799999999999998 110.589 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -129.82 77.07 1.76 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.462 -0.79 . . . . 4.4100000000000001 110.075 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.737 HD22 ' HB3' ' A' ' 30' ' ' PHE . 41.5 mt -99.53 90.61 4.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.674 -0.694 . . . . 3.4300000000000002 110.569 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.3 m -103.1 32.55 3.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.711 -0.677 . . . . 4.1799999999999997 110.325 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -173.11 -79.94 0.05 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.799 -0.92 . . . . 2.6499999999999999 110.799 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -148.65 159.18 44.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.02 0.438 . . . . 2.7799999999999998 110.49 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.737 ' HB3' HD22 ' A' ' 26' ' ' LEU . 11.7 p90 -131.68 23.32 4.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.9 -0.591 . . . . 1.72 111.17 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.629 HD11 HG23 ' A' ' 7' ' ' THR . 47.1 mt -121.1 64.76 0.87 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.466 0.65 . . . . 1.6899999999999999 110.53 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.568 ' C ' HD12 ' A' ' 33' ' ' LEU . 16.5 m-20 -132.65 -47.65 0.88 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.359 -0.837 . . . . 1.71 110.121 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.568 HD12 ' C ' ' A' ' 32' ' ' ASP . 3.4 mp -151.35 39.34 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.665 -0.698 . . . . 2.8999999999999999 110.105 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -60.32 -36.61 78.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.606 -0.725 . . . . 3.3100000000000001 110.743 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.757 ' CE2' HD22 ' A' ' 45' ' ' LEU . 9.9 m-85 -76.15 -32.14 58.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.978 -0.555 . . . . 1.3600000000000001 110.412 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -99.51 62.75 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.439 0.638 . . . . 3.0600000000000001 110.179 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -132.63 -65.66 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.628 -0.715 . . . . 2.5899999999999999 110.657 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.901 HD11 ' CE2' ' A' ' 40' ' ' TYR . 40.5 pt -85.16 -33.28 7.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.263 0.554 . . . . 2.3300000000000001 110.562 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.57 45.76 0.1 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.698 -0.961 . . . . 2.3100000000000001 110.698 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.901 ' CE2' HD11 ' A' ' 38' ' ' ILE . 1.7 m-85 -89.49 72.41 7.92 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.227 0.537 . . . . 2.2799999999999998 109.924 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -68.07 -48.63 65.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.85 -0.614 . . . . 2.6299999999999999 110.63 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.2 p 176.8 -48.27 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.058 -0.519 . . . . 2.21 110.833 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.7 mt -55.72 -39.24 70.81 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.945 -0.571 . . . . 3.0899999999999999 111.205 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.523 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . . . -63.07 -49.04 76.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.99 -0.55 . . . . 1.51 110.641 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.757 HD22 ' CE2' ' A' ' 35' ' ' PHE . 1.6 pp -89.76 8.49 31.52 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.863 -0.608 . . . . 0.93999999999999995 111.96 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.7 ttt -73.41 -59.67 2.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.077 0.465 . . . . 2.6299999999999999 110.673 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -61.11 -38.48 86.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.852 -0.613 . . . . 3.0600000000000001 110.728 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.63 ' O ' HD13 ' A' ' 52' ' ' LEU . 26.2 m -60.78 -45.15 95.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.93 -0.577 . . . . 1.8700000000000001 110.629 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.34 -24.41 63.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.881 -0.599 . . . . 1.1100000000000001 111.142 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.66 -61.44 1.89 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.015 0.436 . . . . 1.1699999999999999 110.994 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.6 mtt85 -60.64 -36.62 79.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.015 -0.538 . . . . 3.6699999999999999 110.784 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.63 HD13 ' O ' ' A' ' 48' ' ' THR . 6.2 mp -69.4 -26.33 64.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.903 -0.59 . . . . 2.5800000000000001 110.802 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -70.27 -29.03 65.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 3.1400000000000001 110.87 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -80.72 -52.39 7.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.018 0.437 . . . . 1.8 110.869 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -59.46 -29.76 68.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.916 -0.583 . . . . 3.9100000000000001 111.054 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.4 ' CD1' ' O ' ' A' ' 52' ' ' LEU . 7.0 m-85 -82.8 -32.16 27.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.044 -0.526 . . . . 2.2599999999999998 110.557 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.06 23.18 38.94 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.289 -0.724 . . . . 1.8100000000000001 111.289 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.696 HG23 ' HB3' ' A' ' 81' ' ' ALA . 11.1 p -94.29 162.15 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-O 121.016 0.436 . . . . 2.5099999999999998 110.064 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.512 ' N ' HG22 ' A' ' 58' ' ' VAL . 10.6 m -59.35 -169.63 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.022 -0.535 . . . . 3.1299999999999999 110.422 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.63 HG23 ' O ' ' A' ' 60' ' ' ILE . 16.2 tt -114.82 82.55 8.35 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-N 116.14 -0.482 . . . . 5.2599999999999998 110.652 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.759 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 39.8 Cg_endo -81.59 105.99 1.63 Allowed 'Trans proline' 0 N--CA 1.474 0.349 0 C-N-CA 121.832 1.688 . . . . 2.8300000000000001 112.222 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.29 -24.39 14.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.952 -0.567 . . . . 2.8199999999999998 111.192 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.3 -71.29 0.39 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.065 0.459 . . . . 2.7000000000000002 111.102 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.963 HG11 HD11 ' A' ' 77' ' ' LEU . 14.1 p -60.83 -44.49 97.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.908 -0.587 . . . . 1.3300000000000001 111.068 -179.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' A' ' 61' ' ' PRO . . . -70.1 -41.48 73.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.94999999999999996 110.821 -179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.36 -27.97 63.92 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.184 -0.767 . . . . 1.1699999999999999 111.184 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -123.64 39.5 3.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.156 0.503 . . . . 3.5099999999999998 110.614 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.568 ' O ' HG13 ' A' ' 68' ' ' VAL . 13.1 p -81.02 113.59 20.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.875 -0.602 . . . . 0.70999999999999996 110.168 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -100.65 -32.55 10.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.89 -0.596 . . . . 2.1200000000000001 110.461 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 p -87.36 147.86 43.16 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-N 115.927 -0.579 . . . . 0.75 110.407 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.474 ' HB2' HD23 ' A' ' 31' ' ' LEU . 40.8 Cg_endo -82.94 -49.38 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 121.837 1.691 . . . . 0.66000000000000003 112.481 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -60.5 -24.72 65.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.804 -0.635 . . . . 1.74 110.767 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -68.52 -36.15 78.45 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.098 0.475 . . . . 2.1800000000000002 110.31 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.0 tp -60.67 -45.17 95.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.847 -0.615 . . . . 1.3100000000000001 110.443 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.444 ' HB2' HD22 ' A' ' 10' ' ' LEU . 5.9 tp -61.42 -50.71 71.74 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 115.943 -0.572 . . . . 0.70999999999999996 110.054 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.4 -14.3 61.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.258 -0.428 . . . . 1.8899999999999999 111.317 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.963 HD11 HG11 ' A' ' 64' ' ' VAL . 14.4 tp -76.94 -66.04 0.87 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.964 0.411 . . . . 1.79 110.983 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.581 HG23 HG11 ' A' ' 58' ' ' VAL . 8.5 mt -62.21 -44.51 99.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 121.383 0.611 . . . . 1.45 110.102 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -59.76 -33.92 72.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.149 -0.932 . . . . 0.92000000000000004 110.591 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.92 -47.35 83.7 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.787 -0.925 . . . . 0.95999999999999996 110.787 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.696 ' HB3' HG23 ' A' ' 58' ' ' VAL . . . -61.64 -32.18 72.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.073 0.463 . . . . 1.1499999999999999 110.427 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.689 ' HB3' HD23 ' A' ' 4' ' ' LEU . 64.4 mt -71.45 -32.11 67.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.872 -0.603 . . . . 1.8899999999999999 110.53 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.13 -57.66 10.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.916 -0.584 . . . . 1.27 110.412 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.76 -32.43 72.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.837 -0.619 . . . . 3.52 110.448 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.11 -32.91 74.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.905 -0.589 . . . . 2.3900000000000001 110.423 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.99 -1.005 . . . . 3.6600000000000001 110.373 -179.956 . . . . . . . . 0 0 . 1 stop_ save_