data_1b4o_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 1b4o _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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 77.4 p -91.8 149.96 21.33 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.283 0.563 . . . . 0.0 111.868 -174.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.3 m -80.05 84.59 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 CA-C-O 121.743 0.782 . . . . 0.0 110.842 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -91.11 125.31 35.86 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -101.67 -117.09 0.18 Allowed 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 -171.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm 56.0 85.33 0.07 Allowed 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 161.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -82.87 -60.59 2.12 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 118.77 -0.633 . . . . 0.0 112.582 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -98.07 -64.17 1.06 Allowed 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 118.868 0.758 . . . . 0.0 113.024 -169.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.59 -69.33 0.68 Allowed Glycine 0 N--CA 1.484 1.844 0 N-CA-C 115.772 1.069 . . . . 0.0 115.772 -163.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -64.56 139.87 58.81 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -165.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -74.54 -35.91 63.12 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 117.043 2.238 . . . . 0.0 117.043 -171.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.06 125.11 26.43 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 119.258 0.936 . . . . 0.0 113.327 -153.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -80.27 136.28 36.41 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.222 0.609 . . . . 0.0 111.77 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.4 t -102.66 129.73 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -78.49 152.05 32.25 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.449 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.11 -13.9 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 N-CA-C 116.266 1.95 . . . . 0.0 116.266 174.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.1 p -69.61 -50.87 40.29 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 120.448 1.476 . . . . 0.0 114.796 172.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -89.64 101.75 14.44 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 119.083 0.856 . . . . 0.0 110.014 -174.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.8 mm -147.39 120.46 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 -165.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -80.19 -20.3 45.07 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 116.977 2.214 . . . . 0.0 116.977 166.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.253 1.6 tmtp? 80.46 107.78 0.07 Allowed 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 120.677 1.58 . . . . 0.0 112.182 168.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.7 t -128.33 -83.79 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 N-CA-C 104.045 -2.576 . . . . 0.0 104.045 158.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 13.8 m95 61.61 40.54 13.31 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 117.32 2.341 . . . . 0.0 117.32 167.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 64.8 mtp85 -143.53 -73.13 0.28 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.848 -1.158 . . . . 0.0 110.434 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.5 p -72.21 123.11 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -148.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.38 -160.9 46.27 Favored Glycine 0 CA--C 1.541 1.715 0 N-CA-C 116.672 1.429 . . . . 0.0 116.672 163.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -78.19 -52.18 9.07 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 113.282 -1.459 . . . . 0.0 111.91 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 66.4 mtt -81.15 110.7 16.9 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.663 0.785 . . . . 0.0 109.183 171.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.7 mt -105.08 113.92 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 105.315 -2.106 . . . . 0.0 105.315 -175.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.5 t -69.78 122.84 20.0 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.155 -173.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.63 118.01 28.94 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.324 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.7 p -127.53 120.75 28.96 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 -173.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -130.56 138.54 50.22 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.409 0.684 . . . . 0.0 110.07 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -78.88 112.13 15.74 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -78.68 -61.32 2.05 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 118.602 -0.713 . . . . 0.0 112.119 -178.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -137.17 -87.61 0.2 Allowed Glycine 0 N--CA 1.481 1.637 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.87 -86.2 0.94 Allowed Glycine 0 N--CA 1.482 1.756 0 N-CA-C 112.111 -0.396 . . . . 0.0 112.111 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.85 75.33 0.34 Allowed Glycine 0 CA--C 1.539 1.572 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 169.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -138.49 101.97 4.49 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 174.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 71.8 p -94.14 134.51 36.5 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 121.146 0.498 . . . . 0.0 110.827 -171.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.13 107.31 3.38 Favored Glycine 0 CA--C 1.539 1.588 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.929 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -72.29 139.62 48.11 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.087 0.555 . . . . 0.0 111.531 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.37 -161.68 11.42 Favored Glycine 0 CA--C 1.543 1.796 0 CA-C-O 121.889 0.716 . . . . 0.0 113.75 176.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -142.18 128.83 20.35 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 114.683 -0.759 . . . . 0.0 111.033 -172.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.2 p -141.7 103.8 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 170.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.6 t -80.24 -63.9 1.31 Allowed 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -175.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -158.21 -47.51 0.06 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -170.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -70.34 -48.31 57.01 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -175.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -75.94 -4.98 44.03 Favored 'General case' 0 CA--C 1.574 1.899 0 N-CA-C 116.806 2.15 . . . . 0.0 116.806 174.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.16 129.83 81.84 Favored Pre-proline 0 CA--C 1.572 1.819 0 CA-C-N 121.044 1.747 . . . . 0.0 113.243 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -81.42 167.7 17.08 Favored 'Trans proline' 0 CA--C 1.566 2.083 0 C-N-CA 123.177 2.584 . . . . 0.0 115.471 -174.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -65.17 -42.19 93.91 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 177.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -62.4 -41.3 98.56 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 -173.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 40.8 tp -57.85 -38.49 75.79 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 172.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 62.5 mt -64.43 -51.26 64.05 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 173.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -69.97 -62.69 1.29 Allowed 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -175.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.9 mtt -91.53 100.63 13.34 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 170.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.324 1.1 tt -93.07 -46.07 7.62 Favored 'General case' 0 CA--C 1.571 1.777 0 CA-C-O 115.519 -2.181 . . . . 0.0 113.294 -179.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . 0.432 29.1 mt-10 85.15 84.98 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.879 2 CA-C-N 130.93 6.241 . . . . 0.0 114.911 -8.941 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -67.01 126.11 28.12 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.56 -0.713 . . . . 0.0 112.53 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -107.82 122.32 46.54 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.59 0.71 . . . . 0.0 110.0 -174.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp . . . . . 0 N--CA 1.49 1.548 0 C-N-CA 123.722 0.809 . . . . 0.0 109.244 173.34 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 77.4 p -91.8 149.96 21.33 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.283 0.563 . . . . 0.0 111.868 -174.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.3 m -80.05 84.59 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 CA-C-O 121.743 0.782 . . . . 0.0 110.842 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -91.11 125.31 35.86 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -101.67 -117.09 0.18 Allowed 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 -171.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm 56.0 85.33 0.07 Allowed 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 161.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -82.87 -60.59 2.12 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 118.77 -0.633 . . . . 0.0 112.582 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -98.07 -64.17 1.06 Allowed 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 118.868 0.758 . . . . 0.0 113.024 -169.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.59 -69.33 0.68 Allowed Glycine 0 N--CA 1.484 1.844 0 N-CA-C 115.772 1.069 . . . . 0.0 115.772 -163.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -64.56 139.87 58.81 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -165.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -74.54 -35.91 63.12 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 117.043 2.238 . . . . 0.0 117.043 -171.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.06 125.11 26.43 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 119.258 0.936 . . . . 0.0 113.327 -153.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -80.27 136.28 36.41 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.222 0.609 . . . . 0.0 111.77 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.4 t -102.66 129.73 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -78.49 152.05 32.25 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.449 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.11 -13.9 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 N-CA-C 116.266 1.95 . . . . 0.0 116.266 174.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.1 p -69.61 -50.87 40.29 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 120.448 1.476 . . . . 0.0 114.796 172.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -89.64 101.75 14.44 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 119.083 0.856 . . . . 0.0 110.014 -174.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.8 mm -147.39 120.46 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 -165.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -80.19 -20.3 45.07 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 116.977 2.214 . . . . 0.0 116.977 166.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.253 1.6 tmtp? 80.46 107.78 0.07 Allowed 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 120.677 1.58 . . . . 0.0 112.182 168.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.7 t -128.33 -83.79 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 N-CA-C 104.045 -2.576 . . . . 0.0 104.045 158.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 13.8 m95 61.61 40.54 13.31 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 117.32 2.341 . . . . 0.0 117.32 167.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 64.8 mtp85 -143.53 -73.13 0.28 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.848 -1.158 . . . . 0.0 110.434 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.5 p -72.21 123.11 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -148.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.38 -160.9 46.27 Favored Glycine 0 CA--C 1.541 1.715 0 N-CA-C 116.672 1.429 . . . . 0.0 116.672 163.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -78.19 -52.18 9.07 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 113.282 -1.459 . . . . 0.0 111.91 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 66.4 mtt -81.15 110.7 16.9 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.663 0.785 . . . . 0.0 109.183 171.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.7 mt -105.08 113.92 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 105.315 -2.106 . . . . 0.0 105.315 -175.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.5 t -69.78 122.84 20.0 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.155 -173.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.63 118.01 28.94 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.324 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.7 p -127.53 120.75 28.96 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 -173.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -130.56 138.54 50.22 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.409 0.684 . . . . 0.0 110.07 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -78.88 112.13 15.74 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -78.68 -61.32 2.05 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 118.602 -0.713 . . . . 0.0 112.119 -178.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -137.17 -87.61 0.2 Allowed Glycine 0 N--CA 1.481 1.637 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.87 -86.2 0.94 Allowed Glycine 0 N--CA 1.482 1.756 0 N-CA-C 112.111 -0.396 . . . . 0.0 112.111 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.85 75.33 0.34 Allowed Glycine 0 CA--C 1.539 1.572 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 169.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -138.49 101.97 4.49 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 174.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 71.8 p -94.14 134.51 36.5 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 121.146 0.498 . . . . 0.0 110.827 -171.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.13 107.31 3.38 Favored Glycine 0 CA--C 1.539 1.588 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.929 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -72.29 139.62 48.11 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.087 0.555 . . . . 0.0 111.531 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.37 -161.68 11.42 Favored Glycine 0 CA--C 1.543 1.796 0 CA-C-O 121.889 0.716 . . . . 0.0 113.75 176.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -142.18 128.83 20.35 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 114.683 -0.759 . . . . 0.0 111.033 -172.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.2 p -141.7 103.8 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 170.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.6 t -80.24 -63.9 1.31 Allowed 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -175.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -158.21 -47.51 0.06 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -170.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -70.34 -48.31 57.01 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -175.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -75.94 -4.98 44.03 Favored 'General case' 0 CA--C 1.574 1.899 0 N-CA-C 116.806 2.15 . . . . 0.0 116.806 174.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.16 129.83 81.84 Favored Pre-proline 0 CA--C 1.572 1.819 0 CA-C-N 121.044 1.747 . . . . 0.0 113.243 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -81.42 167.7 17.08 Favored 'Trans proline' 0 CA--C 1.566 2.083 0 C-N-CA 123.177 2.584 . . . . 0.0 115.471 -174.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -65.17 -42.19 93.91 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 177.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -62.4 -41.3 98.56 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 -173.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 40.8 tp -57.85 -38.49 75.79 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 172.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 62.5 mt -64.43 -51.26 64.05 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 173.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -69.97 -62.69 1.29 Allowed 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -175.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.9 mtt -91.53 100.63 13.34 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 170.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.324 1.1 tt -93.07 -46.07 7.62 Favored 'General case' 0 CA--C 1.571 1.777 0 CA-C-O 115.519 -2.181 . . . . 0.0 113.294 -179.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . 0.432 29.1 mt-10 85.15 84.98 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.879 2 CA-C-N 130.93 6.241 . . . . 0.0 114.911 -8.941 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -67.01 126.11 28.12 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.56 -0.713 . . . . 0.0 112.53 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -107.82 122.32 46.54 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.59 0.71 . . . . 0.0 110.0 -174.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp . . . . . 0 N--CA 1.49 1.548 0 C-N-CA 123.722 0.809 . . . . 0.0 109.244 173.34 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 77.4 p -91.8 149.96 21.33 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 121.283 0.563 . . . . 0.0 111.868 -174.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.3 m -80.05 84.59 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 CA-C-O 121.743 0.782 . . . . 0.0 110.842 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? -91.11 125.31 35.86 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -101.67 -117.09 0.18 Allowed 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 -171.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.1 mmtm 56.0 85.33 0.07 Allowed 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 161.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -82.87 -60.59 2.12 Favored 'General case' 0 N--CA 1.49 1.559 0 CA-C-O 118.77 -0.633 . . . . 0.0 112.582 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -98.07 -64.17 1.06 Allowed 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 118.868 0.758 . . . . 0.0 113.024 -169.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.59 -69.33 0.68 Allowed Glycine 0 N--CA 1.484 1.844 0 N-CA-C 115.772 1.069 . . . . 0.0 115.772 -163.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -64.56 139.87 58.81 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -165.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -74.54 -35.91 63.12 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 117.043 2.238 . . . . 0.0 117.043 -171.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.06 125.11 26.43 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 119.258 0.936 . . . . 0.0 113.327 -153.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -80.27 136.28 36.41 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.222 0.609 . . . . 0.0 111.77 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.4 t -102.66 129.73 53.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -78.49 152.05 32.25 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.449 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.11 -13.9 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 N-CA-C 116.266 1.95 . . . . 0.0 116.266 174.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.1 p -69.61 -50.87 40.29 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 120.448 1.476 . . . . 0.0 114.796 172.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -89.64 101.75 14.44 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 119.083 0.856 . . . . 0.0 110.014 -174.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 41.8 mm -147.39 120.46 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 -165.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -80.19 -20.3 45.07 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 116.977 2.214 . . . . 0.0 116.977 166.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . 0.253 1.6 tmtp? 80.46 107.78 0.07 Allowed 'General case' 0 N--CA 1.491 1.619 0 CA-C-N 120.677 1.58 . . . . 0.0 112.182 168.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.7 t -128.33 -83.79 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 N-CA-C 104.045 -2.576 . . . . 0.0 104.045 158.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 13.8 m95 61.61 40.54 13.31 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 117.32 2.341 . . . . 0.0 117.32 167.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 64.8 mtp85 -143.53 -73.13 0.28 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.848 -1.158 . . . . 0.0 110.434 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.5 p -72.21 123.11 26.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -148.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.38 -160.9 46.27 Favored Glycine 0 CA--C 1.541 1.715 0 N-CA-C 116.672 1.429 . . . . 0.0 116.672 163.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -78.19 -52.18 9.07 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-N 113.282 -1.459 . . . . 0.0 111.91 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 66.4 mtt -81.15 110.7 16.9 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.663 0.785 . . . . 0.0 109.183 171.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.7 mt -105.08 113.92 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 N-CA-C 105.315 -2.106 . . . . 0.0 105.315 -175.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.5 t -69.78 122.84 20.0 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.155 -173.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.63 118.01 28.94 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.324 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.7 p -127.53 120.75 28.96 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 -173.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -130.56 138.54 50.22 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.409 0.684 . . . . 0.0 110.07 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -78.88 112.13 15.74 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -78.68 -61.32 2.05 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 118.602 -0.713 . . . . 0.0 112.119 -178.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -137.17 -87.61 0.2 Allowed Glycine 0 N--CA 1.481 1.637 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -84.87 -86.2 0.94 Allowed Glycine 0 N--CA 1.482 1.756 0 N-CA-C 112.111 -0.396 . . . . 0.0 112.111 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.85 75.33 0.34 Allowed Glycine 0 CA--C 1.539 1.572 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 169.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -138.49 101.97 4.49 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 174.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 71.8 p -94.14 134.51 36.5 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-O 121.146 0.498 . . . . 0.0 110.827 -171.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.13 107.31 3.38 Favored Glycine 0 CA--C 1.539 1.588 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.929 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -72.29 139.62 48.11 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 123.087 0.555 . . . . 0.0 111.531 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -159.37 -161.68 11.42 Favored Glycine 0 CA--C 1.543 1.796 0 CA-C-O 121.889 0.716 . . . . 0.0 113.75 176.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -142.18 128.83 20.35 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 114.683 -0.759 . . . . 0.0 111.033 -172.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.2 p -141.7 103.8 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 170.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.6 t -80.24 -63.9 1.31 Allowed 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -175.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -158.21 -47.51 0.06 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -170.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -70.34 -48.31 57.01 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -175.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -75.94 -4.98 44.03 Favored 'General case' 0 CA--C 1.574 1.899 0 N-CA-C 116.806 2.15 . . . . 0.0 116.806 174.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.16 129.83 81.84 Favored Pre-proline 0 CA--C 1.572 1.819 0 CA-C-N 121.044 1.747 . . . . 0.0 113.243 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -81.42 167.7 17.08 Favored 'Trans proline' 0 CA--C 1.566 2.083 0 C-N-CA 123.177 2.584 . . . . 0.0 115.471 -174.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -65.17 -42.19 93.91 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 177.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -62.4 -41.3 98.56 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 -173.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 40.8 tp -57.85 -38.49 75.79 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 172.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 62.5 mt -64.43 -51.26 64.05 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 173.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -69.97 -62.69 1.29 Allowed 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -175.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.9 mtt -91.53 100.63 13.34 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 170.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . 0.324 1.1 tt -93.07 -46.07 7.62 Favored 'General case' 0 CA--C 1.571 1.777 0 CA-C-O 115.519 -2.181 . . . . 0.0 113.294 -179.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . 0.432 29.1 mt-10 85.15 84.98 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.879 2 CA-C-N 130.93 6.241 . . . . 0.0 114.911 -8.941 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -67.01 126.11 28.12 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.56 -0.713 . . . . 0.0 112.53 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -107.82 122.32 46.54 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 121.59 0.71 . . . . 0.0 110.0 -174.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp . . . . . 0 N--CA 1.49 1.548 0 C-N-CA 123.722 0.809 . . . . 0.0 109.244 173.34 . . . . . . . . 0 0 . 1 stop_ save_