data_1sak_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 1sak _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 ' 319' ' ' LYS . . . . . 0.55 ' H2 ' ' HZ1' ' A' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.14 -0.689 . . . . 7.6299999999999999 109.14 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.55 ' HZ1' ' H2 ' ' A' ' 319' ' ' LYS . 0.5 OUTLIER -88.65 145.51 25.63 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.383 -0.823 . . . . 7.7599999999999998 111.55 -178.788 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.539 ' C ' ' H ' ' A' ' 323' ' ' LEU . 31.8 mttm 58.88 89.91 0.1 OUTLIER Pre-proline 0 N--CA 1.495 1.802 0 N-CA-C 113.616 0.969 . . . . 7.1500000000000004 113.616 176.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . 0.426 ' O ' ' OH ' ' A' ' 327' ' ' TYR . 9.7 Cg_endo -77.08 8.63 3.1 Favored 'Trans proline' 0 C--N 1.316 -1.175 0 N-CA-C 105.836 -2.409 . . . . 4.8399999999999999 105.836 175.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.539 ' H ' ' C ' ' A' ' 321' ' ' LYS . 10.5 mt -79.34 47.85 0.84 Allowed 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 115.457 -0.792 . . . . 5.1900000000000004 111.147 -178.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.83 -131.46 0.01 OUTLIER 'General case' 0 C--N 1.288 -2.087 0 N-CA-C 107.729 -1.211 . . . . 3.02 107.729 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.83 150.92 51.04 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 108.382 -1.887 . . . . 1.05 108.382 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -56.11 139.82 45.92 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.948 -1.324 . . . . 2.04 108.74 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.426 ' OH ' ' O ' ' A' ' 322' ' ' PRO . 59.0 m-85 -90.85 153.61 20.09 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.191 -0.943 . . . . 1.21 110.126 -179.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -140.59 178.98 6.95 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.656 -0.868 . . . . 0.79000000000000004 108.656 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 18.0 p -140.28 149.74 43.19 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 108.425 -0.954 . . . . 1.1000000000000001 108.425 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 48.9 tp -141.92 132.09 24.82 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.347 -0.846 . . . . 1.2 109.508 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -83.84 130.95 34.92 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 108.353 -0.981 . . . . 1.76 108.353 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 42.7 mt -123.17 113.48 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 CA-C-O 121.641 0.734 . . . . 1.1100000000000001 109.303 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.36 151.15 41.33 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.659 -0.651 . . . . 2.5499999999999998 109.4 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.3 139.67 5.52 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.301 -1.119 . . . . 0.40999999999999998 110.301 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -85.07 -47.37 10.26 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.523 -0.987 . . . . 3.5600000000000001 109.16 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -58.23 -42.02 85.38 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.355 -0.841 . . . . 2.2599999999999998 109.161 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -63.25 -41.01 99.01 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.391 -0.818 . . . . 2.5800000000000001 109.388 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -55.34 -56.96 14.04 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.467 -0.771 . . . . 0.48999999999999999 109.77 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -51.58 -38.32 53.91 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.33 -0.856 . . . . 1.6799999999999999 109.72 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.9 ttp -63.47 -51.51 65.31 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.248 -0.907 . . . . 1.1200000000000001 110.146 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -61.01 -46.2 91.72 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.112 -0.993 . . . . 0.97999999999999998 109.342 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -51.67 -42.57 62.23 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.174 -0.954 . . . . 2.1099999999999999 109.33 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.99 -53.04 62.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.324 -0.86 . . . . 1.3999999999999999 110.339 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 14.8 mt -59.64 -37.68 79.35 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.021 -1.049 . . . . 1.0900000000000001 108.884 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -60.02 -55.07 38.49 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.13 -0.981 . . . . 1.4199999999999999 109.05 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -60.53 -33.7 73.03 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.218 -0.926 . . . . 2.1299999999999999 109.203 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.87 -53.77 54.61 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.291 -0.881 . . . . 1.04 109.57 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 33.2 mt -61.76 -45.06 95.53 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.318 -0.864 . . . . 1.1000000000000001 109.294 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -58.62 -34.27 70.98 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.234 -0.916 . . . . 1.8400000000000001 108.949 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 12.3 tp -64.78 -49.81 69.24 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.477 -0.764 . . . . 1.8100000000000001 109.488 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -63.25 -43.1 98.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.23 -0.919 . . . . 2.0699999999999998 108.925 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.88 -33.55 64.69 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.626 -0.671 . . . . 1.27 109.256 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.96 -42.39 85.25 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.295 -0.878 . . . . 1.23 109.483 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -82.69 -14.33 54.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.217 -0.927 . . . . 1.77 109.067 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . 0.429 ' C ' ' H ' ' A' ' 357' ' ' LYS . . . -71.83 -41.53 68.08 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.184 -0.947 . . . . 1.28 108.448 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -78.28 20.09 4.25 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.128 -1.589 . . . . 1.6499999999999999 109.128 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' A' ' 355' ' ' ALA . 60.3 tttt -83.1 116.97 22.55 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.267 -1.137 . . . . 4.4199999999999999 108.78 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -49.1 147.64 4.81 Favored Pre-proline 0 N--CA 1.489 1.487 0 O-C-N 121.249 -0.907 . . . . 5.6900000000000004 109.394 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -60.87 119.25 6.31 Favored 'Trans proline' 0 C--N 1.323 -0.786 0 N-CA-C 109.088 -1.159 . . . . 5.5700000000000003 109.088 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.427 0 CA-C-O 118.005 -1.442 . . . . 7.0599999999999996 109.818 -179.828 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.552 ' H2 ' ' HZ1' ' B' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.131 -0.692 . . . . 7.6399999999999997 109.131 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.552 ' HZ1' ' H2 ' ' B' ' 319' ' ' LYS . 0.5 OUTLIER -88.58 145.5 25.66 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.424 -0.798 . . . . 7.7699999999999996 111.673 -178.83 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.543 ' C ' ' H ' ' B' ' 323' ' ' LEU . 31.8 mttm 58.86 90.01 0.1 OUTLIER Pre-proline 0 N--CA 1.495 1.807 0 N-CA-C 113.563 0.949 . . . . 7.1399999999999997 113.563 176.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.421 ' O ' ' OH ' ' B' ' 327' ' ' TYR . 9.6 Cg_endo -77.11 8.68 3.09 Favored 'Trans proline' 0 C--N 1.317 -1.114 0 N-CA-C 105.857 -2.401 . . . . 4.8399999999999999 105.857 175.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . 0.543 ' H ' ' C ' ' B' ' 321' ' ' LYS . 10.5 mt -79.35 47.82 0.84 Allowed 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 115.462 -0.79 . . . . 5.21 111.161 -178.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.8 -131.48 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.062 0 N-CA-C 107.781 -1.192 . . . . 3.02 107.781 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.8 151.0 51.16 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 108.389 -1.885 . . . . 1.0600000000000001 108.389 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -56.17 139.87 46.14 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.015 -1.286 . . . . 2.0499999999999998 108.713 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.421 ' OH ' ' O ' ' B' ' 322' ' ' PRO . 58.8 m-85 -90.9 153.63 20.06 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.198 -0.939 . . . . 1.21 110.139 -179.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -140.52 179.02 6.92 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.7 -0.852 . . . . 0.80000000000000004 108.7 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 18.0 p -140.38 149.69 42.97 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.429 -0.952 . . . . 1.0700000000000001 108.429 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 49.0 tp -141.91 132.12 24.86 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.408 -0.807 . . . . 1.2 109.502 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -83.85 130.92 34.91 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.295 -1.002 . . . . 1.78 108.295 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 43.0 mt -123.2 113.48 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 CA-C-O 121.692 0.758 . . . . 1.1200000000000001 109.342 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.29 151.12 41.46 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.623 -0.673 . . . . 2.5699999999999998 109.393 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.32 139.63 5.51 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 110.321 -1.112 . . . . 0.40999999999999998 110.321 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -85.03 -47.4 10.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.51 -0.994 . . . . 3.5699999999999998 109.185 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -58.12 -42.08 85.01 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.266 -0.896 . . . . 2.2400000000000002 109.186 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -63.22 -41.07 99.07 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.391 -0.818 . . . . 2.5800000000000001 109.349 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -55.3 -56.95 14.14 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.468 -0.77 . . . . 0.47999999999999998 109.828 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -51.45 -38.43 53.69 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.356 -0.84 . . . . 1.6799999999999999 109.766 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.0 ttp -63.48 -51.49 65.38 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.289 -0.882 . . . . 1.1299999999999999 110.161 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -61.02 -46.14 91.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.08 -1.012 . . . . 0.97999999999999998 109.355 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -51.67 -42.64 62.29 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.157 -0.965 . . . . 2.1099999999999999 109.257 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.97 -53.04 62.54 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.261 -0.899 . . . . 1.4199999999999999 110.343 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 14.8 mt -59.58 -37.74 79.33 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.008 -1.057 . . . . 1.1000000000000001 108.936 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -59.94 -55.06 38.79 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.159 -0.963 . . . . 1.4299999999999999 109.097 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -60.49 -33.77 73.09 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.218 -0.926 . . . . 2.1200000000000001 109.261 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.8 -53.79 54.43 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.245 -0.909 . . . . 1.05 109.578 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 33.2 mt -61.82 -44.89 95.94 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.245 -0.909 . . . . 1.1100000000000001 109.316 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -58.81 -34.13 71.15 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.247 -0.908 . . . . 1.8400000000000001 108.947 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 12.3 tp -64.88 -49.79 69.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.483 -0.761 . . . . 1.8100000000000001 109.414 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -63.32 -43.02 98.97 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.348 -0.845 . . . . 2.0699999999999998 108.955 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.91 -33.54 64.74 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.505 -0.747 . . . . 1.27 109.286 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.01 -42.34 85.11 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.264 -0.897 . . . . 1.23 109.471 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -82.76 -14.34 54.65 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.171 -0.956 . . . . 1.78 109.016 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . 0.441 ' C ' ' H ' ' B' ' 357' ' ' LYS . . . -71.78 -41.5 68.25 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.465 -0.939 . . . . 1.29 108.465 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -78.28 20.02 4.29 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.159 -1.576 . . . . 1.6599999999999999 109.159 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . 0.441 ' H ' ' C ' ' B' ' 355' ' ' ALA . 60.3 tttt -83.09 116.99 22.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.277 -1.131 . . . . 4.4100000000000001 108.659 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -49.09 147.56 4.84 Favored Pre-proline 0 N--CA 1.489 1.494 0 O-C-N 121.257 -0.902 . . . . 5.6900000000000004 109.373 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -60.93 119.28 6.36 Favored 'Trans proline' 0 C--N 1.323 -0.766 0 N-CA-C 109.051 -1.173 . . . . 5.54 109.051 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.405 0 CA-C-O 117.995 -1.447 . . . . 7.0199999999999996 109.799 -179.783 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.558 ' H2 ' ' HZ1' ' C' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.248 -0.649 . . . . 7.6399999999999997 109.248 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.558 ' HZ1' ' H2 ' ' C' ' 319' ' ' LYS . 0.5 OUTLIER -88.56 145.51 25.67 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.48 -0.762 . . . . 7.7599999999999998 111.624 -178.836 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.555 ' C ' ' H ' ' C' ' 323' ' ' LEU . 31.7 mttm 58.86 89.88 0.1 OUTLIER Pre-proline 0 N--CA 1.495 1.82 0 N-CA-C 113.627 0.973 . . . . 7.1399999999999997 113.627 176.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.426 ' O ' ' OH ' ' C' ' 327' ' ' TYR . 9.6 Cg_endo -77.03 8.66 3.07 Favored 'Trans proline' 0 C--N 1.317 -1.116 0 N-CA-C 105.914 -2.379 . . . . 4.8399999999999999 105.914 175.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . 0.555 ' H ' ' C ' ' C' ' 321' ' ' LYS . 10.4 mt -79.31 47.84 0.84 Allowed 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 115.442 -0.799 . . . . 5.2199999999999998 111.168 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.89 -131.41 0.01 OUTLIER 'General case' 0 C--N 1.288 -2.081 0 N-CA-C 107.725 -1.213 . . . . 3.0099999999999998 107.725 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.9 150.99 51.07 Favored Glycine 0 N--CA 1.489 2.167 0 N-CA-C 108.402 -1.879 . . . . 1.0600000000000001 108.402 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -56.05 139.91 45.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.013 -1.286 . . . . 2.04 108.754 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.426 ' OH ' ' O ' ' C' ' 322' ' ' PRO . 59.9 m-85 -90.98 153.59 20.06 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.136 -0.977 . . . . 1.21 110.079 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -140.5 179.04 6.9 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.7 -0.852 . . . . 0.79000000000000004 108.7 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 18.0 p -140.33 149.73 43.09 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 108.441 -0.948 . . . . 1.0700000000000001 108.441 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 48.7 tp -141.92 132.14 24.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.442 -0.786 . . . . 1.2 109.526 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -83.89 130.92 34.9 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.351 -0.981 . . . . 1.77 108.351 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 42.8 mt -123.17 113.48 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 CA-C-O 121.605 0.717 . . . . 1.1200000000000001 109.285 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.33 151.13 41.39 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 120.171 -0.612 . . . . 2.5699999999999998 109.388 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.36 139.63 5.53 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.299 -1.121 . . . . 0.40999999999999998 110.299 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -85.0 -47.48 10.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.514 -0.992 . . . . 3.5800000000000001 109.186 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -58.06 -42.15 84.84 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.331 -0.856 . . . . 2.23 109.204 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -63.18 -41.09 99.15 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.371 -0.83 . . . . 2.5800000000000001 109.368 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -55.24 -57.02 13.51 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.563 -0.711 . . . . 0.47999999999999998 109.772 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -51.49 -38.41 53.82 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.436 -0.79 . . . . 1.6799999999999999 109.726 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.9 ttp -63.45 -51.51 65.34 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.276 -0.89 . . . . 1.1299999999999999 110.186 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -60.97 -46.2 91.71 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.091 -1.005 . . . . 0.97999999999999998 109.384 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -51.68 -42.55 62.24 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.229 -0.919 . . . . 2.1200000000000001 109.323 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.99 -53.12 61.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.328 -0.858 . . . . 1.4199999999999999 110.275 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 14.9 mt -59.56 -37.74 79.25 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.967 -1.083 . . . . 1.1000000000000001 108.867 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -59.95 -55.08 38.53 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.165 -0.959 . . . . 1.4199999999999999 109.119 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -60.49 -33.76 73.07 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.306 -0.871 . . . . 2.1299999999999999 109.24 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.8 -53.79 54.4 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.289 -0.882 . . . . 1.05 109.595 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 33.5 mt -61.78 -44.94 95.89 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.292 -0.88 . . . . 1.1200000000000001 109.287 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.81 -34.18 71.22 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.228 -0.92 . . . . 1.8400000000000001 108.912 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 12.3 tp -64.79 -49.8 69.27 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.411 -0.806 . . . . 1.8100000000000001 109.462 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -63.33 -42.98 99.0 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.288 -0.882 . . . . 2.0699999999999998 108.999 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.87 -33.61 64.72 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.564 -0.71 . . . . 1.27 109.269 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.91 -42.44 85.44 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.313 -0.867 . . . . 1.23 109.51 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -82.72 -14.29 54.84 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.236 -0.915 . . . . 1.79 109.089 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . 0.432 ' C ' ' H ' ' C' ' 357' ' ' LYS . . . -71.83 -41.46 68.16 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.453 -0.943 . . . . 1.28 108.453 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -78.36 20.06 4.33 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.164 -1.574 . . . . 1.6599999999999999 109.164 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . 0.432 ' H ' ' C ' ' C' ' 355' ' ' ALA . 60.3 tttt -83.05 117.0 22.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.297 -1.12 . . . . 4.4100000000000001 108.727 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -49.11 147.63 4.83 Favored Pre-proline 0 N--CA 1.488 1.461 0 O-C-N 121.299 -0.875 . . . . 5.6900000000000004 109.361 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -60.85 119.16 6.17 Favored 'Trans proline' 0 C--N 1.322 -0.833 0 N-CA-C 109.115 -1.148 . . . . 5.54 109.115 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.486 0 CA-C-O 117.992 -1.449 . . . . 7.0099999999999998 109.793 -179.801 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.556 ' H2 ' ' HZ1' ' D' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.195 -0.668 . . . . 7.6399999999999997 109.195 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.556 ' HZ1' ' H2 ' ' D' ' 319' ' ' LYS . 0.5 OUTLIER -88.62 145.57 25.61 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.387 -0.821 . . . . 7.7599999999999998 111.572 -178.801 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.539 ' C ' ' H ' ' D' ' 323' ' ' LEU . 31.7 mttm 58.89 89.92 0.1 OUTLIER Pre-proline 0 N--CA 1.495 1.808 0 N-CA-C 113.562 0.949 . . . . 7.1500000000000004 113.562 176.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.426 ' O ' ' OH ' ' D' ' 327' ' ' TYR . 9.6 Cg_endo -77.15 8.73 3.08 Favored 'Trans proline' 0 C--N 1.316 -1.15 0 N-CA-C 105.856 -2.401 . . . . 4.8399999999999999 105.856 175.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . 0.539 ' H ' ' C ' ' D' ' 321' ' ' LYS . 10.6 mt -79.42 47.91 0.86 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 115.438 -0.801 . . . . 5.1900000000000004 111.11 -178.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.85 -131.44 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.06 0 N-CA-C 107.764 -1.199 . . . . 3.0099999999999998 107.764 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.8 150.93 51.08 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 108.422 -1.871 . . . . 1.05 108.422 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -56.15 139.88 46.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.002 -1.293 . . . . 2.04 108.778 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.426 ' OH ' ' O ' ' D' ' 322' ' ' PRO . 59.1 m-85 -90.9 153.58 20.09 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.188 -0.945 . . . . 1.21 110.101 -179.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -140.52 179.02 6.91 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.724 -0.843 . . . . 0.79000000000000004 108.724 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 18.1 p -140.33 149.71 43.07 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.451 -0.944 . . . . 1.1000000000000001 108.451 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 49.0 tp -141.95 132.14 24.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.416 -0.803 . . . . 1.21 109.458 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -83.84 130.91 34.92 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.327 -0.99 . . . . 1.76 108.327 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 42.9 mt -123.16 113.54 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 CA-C-O 121.69 0.757 . . . . 1.1100000000000001 109.311 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.35 151.09 41.38 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.636 -0.665 . . . . 2.5600000000000001 109.361 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.37 139.66 5.55 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 110.271 -1.132 . . . . 0.40999999999999998 110.271 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -85.03 -47.44 10.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.48 -1.012 . . . . 3.5600000000000001 109.166 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -58.07 -42.12 84.86 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.33 -0.856 . . . . 2.2599999999999998 109.201 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -63.26 -41.03 98.99 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.367 -0.833 . . . . 2.5800000000000001 109.333 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -55.34 -56.93 14.42 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.476 -0.765 . . . . 0.48999999999999999 109.786 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -51.51 -38.37 53.75 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.339 -0.851 . . . . 1.6799999999999999 109.72 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.9 ttp -63.59 -51.38 65.59 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.247 -0.908 . . . . 1.1299999999999999 110.194 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -61.03 -46.16 91.86 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.129 -0.982 . . . . 0.98999999999999999 109.403 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -51.66 -42.59 62.22 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.12 -0.988 . . . . 2.1200000000000001 109.276 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -60.0 -53.08 62.09 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.383 -0.823 . . . . 1.3999999999999999 110.343 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 14.8 mt -59.58 -37.66 79.1 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.985 -1.072 . . . . 1.0900000000000001 108.943 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -59.97 -55.07 38.6 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.124 -0.985 . . . . 1.4199999999999999 109.075 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -60.53 -33.74 73.1 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.296 -0.878 . . . . 2.1299999999999999 109.165 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -58.85 -53.8 54.31 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.259 -0.901 . . . . 1.04 109.582 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 33.5 mt -61.79 -44.91 95.95 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.244 -0.91 . . . . 1.1100000000000001 109.287 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.82 -34.17 71.21 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.217 -0.927 . . . . 1.8400000000000001 108.893 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 12.3 tp -64.84 -49.83 69.04 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.5 -0.75 . . . . 1.8100000000000001 109.437 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -63.25 -43.09 98.99 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.275 -0.891 . . . . 2.0699999999999998 108.961 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.84 -33.64 64.68 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.536 -0.728 . . . . 1.28 109.252 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.89 -42.43 85.53 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.282 -0.886 . . . . 1.23 109.511 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -82.65 -14.43 54.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.163 -0.961 . . . . 1.77 109.043 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . 0.448 ' C ' ' H ' ' D' ' 357' ' ' LYS . . . -71.72 -41.52 68.43 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.15 -0.969 . . . . 1.27 108.467 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -78.31 20.09 4.27 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 109.172 -1.571 . . . . 1.6499999999999999 109.172 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' D' ' 355' ' ' ALA . 60.3 tttt -83.07 117.02 22.57 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.366 -1.079 . . . . 4.4199999999999999 108.717 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -49.1 147.56 4.86 Favored Pre-proline 0 N--CA 1.489 1.508 0 O-C-N 121.237 -0.915 . . . . 5.6900000000000004 109.382 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -60.83 119.27 6.34 Favored 'Trans proline' 0 C--N 1.323 -0.808 0 N-CA-C 109.068 -1.166 . . . . 5.5599999999999996 109.068 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.499 0 CA-C-O 117.95 -1.472 . . . . 7.0599999999999996 109.755 -179.797 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 319' ' ' LYS . . . . . 0.422 ' N ' ' HZ3' ' A' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.14 -0.689 . . . . 7.38 109.14 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.513 ' HD2' ' H ' ' A' ' 320' ' ' LYS . 0.5 OUTLIER -88.65 145.51 25.63 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.383 -0.823 . . . . 7.4 111.55 -178.788 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.518 ' C ' ' H ' ' A' ' 323' ' ' LEU . 31.8 mttm 58.88 89.91 0.1 OUTLIER Pre-proline 0 N--CA 1.495 1.802 0 N-CA-C 113.616 0.969 . . . . 6.84 113.616 176.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -77.08 8.63 3.1 Favored 'Trans proline' 0 C--N 1.316 -1.175 0 N-CA-C 105.836 -2.409 . . . . 4.26 105.836 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.518 ' H ' ' C ' ' A' ' 321' ' ' LYS . 10.5 mt -79.34 47.85 0.84 Allowed 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 115.457 -0.792 . . . . 4.81 111.147 -178.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.83 -131.46 0.01 OUTLIER 'General case' 0 C--N 1.288 -2.087 0 N-CA-C 107.729 -1.211 . . . . 3.02 107.729 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.83 150.92 51.04 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 108.382 -1.887 . . . . 0.91 108.382 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -56.11 139.82 45.92 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.948 -1.324 . . . . 2.04 108.74 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -90.85 153.61 20.09 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.191 -0.943 . . . . 0.78 110.126 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -140.59 178.98 6.95 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.656 -0.868 . . . . 0.79 108.656 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 18.0 p -140.28 149.74 43.19 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 108.425 -0.954 . . . . 0.31 108.425 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 48.9 tp -141.92 132.09 24.82 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.347 -0.846 . . . . 0.48 109.508 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -83.84 130.95 34.92 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 108.353 -0.981 . . . . 1.4 108.353 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 42.7 mt -123.17 113.48 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 CA-C-O 121.641 0.734 . . . . 0.3 109.303 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.36 151.15 41.33 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.659 -0.651 . . . . 2.02 109.4 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.3 139.67 5.52 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.301 -1.119 . . . . 0.37 110.301 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -85.07 -47.37 10.26 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.523 -0.987 . . . . 3.07 109.16 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -58.23 -42.02 85.38 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.355 -0.841 . . . . 2.26 109.161 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -63.25 -41.01 99.01 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.391 -0.818 . . . . 2.01 109.388 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -55.34 -56.96 14.04 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.467 -0.771 . . . . 0.41 109.77 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -51.58 -38.32 53.91 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.33 -0.856 . . . . 1.68 109.72 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.9 ttp -63.47 -51.51 65.31 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.248 -0.907 . . . . 0.37 110.146 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -61.01 -46.2 91.72 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.112 -0.993 . . . . 0.6 109.342 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -51.67 -42.57 62.23 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.174 -0.954 . . . . 1.79 109.33 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.99 -53.04 62.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.324 -0.86 . . . . 1.4 110.339 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 14.8 mt -59.64 -37.68 79.35 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.021 -1.049 . . . . 0.31 108.884 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -60.02 -55.07 38.49 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.13 -0.981 . . . . 1.29 109.05 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -60.53 -33.7 73.03 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.218 -0.926 . . . . 2.13 109.203 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.581 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.87 -53.77 54.61 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.291 -0.881 . . . . 0.19 109.57 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 33.2 mt -61.76 -45.06 95.53 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.318 -0.864 . . . . 0.39 109.294 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -58.62 -34.27 70.98 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.234 -0.916 . . . . 1.84 108.949 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 12.3 tp -64.78 -49.81 69.24 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.477 -0.764 . . . . 1.18 109.488 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -63.25 -43.1 98.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.23 -0.919 . . . . 1.51 108.925 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 352' ' ' ASP . . . . . 0.406 ' CG ' HH22 ' C' ' 337' ' ' ARG . 0.8 OUTLIER -55.88 -33.55 64.69 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.626 -0.671 . . . . 1.27 109.256 179.815 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.96 -42.39 85.25 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.295 -0.878 . . . . 0.68 109.483 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -82.69 -14.33 54.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.217 -0.927 . . . . 1.77 109.067 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.416 ' C ' ' H ' ' A' ' 357' ' ' LYS . . . -71.83 -41.53 68.08 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.184 -0.947 . . . . 1.15 108.448 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -78.28 20.09 4.25 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.128 -1.589 . . . . 1.47 109.128 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 357' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 355' ' ' ALA . 60.3 tttt -83.1 116.97 22.55 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.267 -1.137 . . . . 4.1 108.78 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -49.1 147.64 4.81 Favored Pre-proline 0 N--CA 1.489 1.487 0 O-C-N 121.249 -0.907 . . . . 5.69 109.394 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -60.87 119.25 6.31 Favored 'Trans proline' 0 C--N 1.323 -0.786 0 N-CA-C 109.088 -1.159 . . . . 5.1 109.088 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.427 0 CA-C-O 118.005 -1.442 . . . . 7.06 109.818 -179.828 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.421 ' N ' ' HZ3' ' B' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.131 -0.692 . . . . 7.39 109.131 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.51 ' H ' ' HD2' ' B' ' 320' ' ' LYS . 0.5 OUTLIER -88.58 145.5 25.66 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.424 -0.798 . . . . 7.41 111.673 -178.83 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.533 ' C ' ' H ' ' B' ' 323' ' ' LEU . 31.8 mttm 58.86 90.01 0.1 OUTLIER Pre-proline 0 N--CA 1.495 1.807 0 N-CA-C 113.563 0.949 . . . . 6.83 113.563 176.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -77.11 8.68 3.09 Favored 'Trans proline' 0 C--N 1.317 -1.114 0 N-CA-C 105.857 -2.401 . . . . 4.26 105.857 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 323' ' ' LEU . . . . . 0.533 ' H ' ' C ' ' B' ' 321' ' ' LYS . 10.5 mt -79.35 47.82 0.84 Allowed 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 115.462 -0.79 . . . . 4.83 111.161 -178.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.8 -131.48 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.062 0 N-CA-C 107.781 -1.192 . . . . 3.02 107.781 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.8 151.0 51.16 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 108.389 -1.885 . . . . 0.92 108.389 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -56.17 139.87 46.14 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.015 -1.286 . . . . 2.05 108.713 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -90.9 153.63 20.06 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.198 -0.939 . . . . 0.77 110.139 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -140.52 179.02 6.92 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.7 -0.852 . . . . 0.8 108.7 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 18.0 p -140.38 149.69 42.97 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.429 -0.952 . . . . 0.32 108.429 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 49.0 tp -141.91 132.12 24.86 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.408 -0.807 . . . . 0.48 109.502 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -83.85 130.92 34.91 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.295 -1.002 . . . . 1.42 108.295 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 43.0 mt -123.2 113.48 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 CA-C-O 121.692 0.758 . . . . 0.31 109.342 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.29 151.12 41.46 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.623 -0.673 . . . . 2.03 109.393 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.32 139.63 5.51 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 110.321 -1.112 . . . . 0.37 110.321 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -85.03 -47.4 10.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.51 -0.994 . . . . 3.09 109.185 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -58.12 -42.08 85.01 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.266 -0.896 . . . . 2.24 109.186 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.408 HH22 ' CG ' ' D' ' 352' ' ' ASP . 18.8 ttm180 -63.22 -41.07 99.07 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.391 -0.818 . . . . 2.0 109.349 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -55.3 -56.95 14.14 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.468 -0.77 . . . . 0.4 109.828 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -51.45 -38.43 53.69 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.356 -0.84 . . . . 1.68 109.766 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.0 ttp -63.48 -51.49 65.38 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.289 -0.882 . . . . 0.38 110.161 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -61.02 -46.14 91.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.08 -1.012 . . . . 0.6 109.355 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -51.67 -42.64 62.29 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.157 -0.965 . . . . 1.79 109.257 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.97 -53.04 62.54 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.261 -0.899 . . . . 1.42 110.343 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 14.8 mt -59.58 -37.74 79.33 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.008 -1.057 . . . . 0.33 108.936 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -59.94 -55.06 38.79 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.159 -0.963 . . . . 1.29 109.097 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -60.49 -33.77 73.09 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.218 -0.926 . . . . 2.12 109.261 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.581 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.8 -53.79 54.43 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.245 -0.909 . . . . 0.18 109.578 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 33.2 mt -61.82 -44.89 95.94 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.245 -0.909 . . . . 0.38 109.316 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -58.81 -34.13 71.15 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.247 -0.908 . . . . 1.84 108.947 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 12.3 tp -64.88 -49.79 69.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.483 -0.761 . . . . 1.18 109.414 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -63.32 -43.02 98.97 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.348 -0.845 . . . . 1.51 108.955 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 352' ' ' ASP . . . . . 0.403 ' CG ' HH22 ' D' ' 337' ' ' ARG . 0.8 OUTLIER -55.91 -33.54 64.74 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.505 -0.747 . . . . 1.27 109.286 179.781 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.01 -42.34 85.11 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.264 -0.897 . . . . 0.69 109.471 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -82.76 -14.34 54.65 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.171 -0.956 . . . . 1.78 109.016 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 355' ' ' ALA . . . . . 0.416 ' C ' ' H ' ' B' ' 357' ' ' LYS . . . -71.78 -41.5 68.25 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.465 -0.939 . . . . 1.19 108.465 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -78.28 20.02 4.29 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.159 -1.576 . . . . 1.49 109.159 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 357' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' B' ' 355' ' ' ALA . 60.3 tttt -83.09 116.99 22.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.277 -1.131 . . . . 4.09 108.659 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -49.09 147.56 4.84 Favored Pre-proline 0 N--CA 1.489 1.494 0 O-C-N 121.257 -0.902 . . . . 5.69 109.373 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -60.93 119.28 6.36 Favored 'Trans proline' 0 C--N 1.323 -0.766 0 N-CA-C 109.051 -1.173 . . . . 5.08 109.051 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.405 0 CA-C-O 117.995 -1.447 . . . . 7.02 109.799 -179.783 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.428 ' N ' ' HZ3' ' C' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.248 -0.649 . . . . 7.38 109.248 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.503 ' HD2' ' H ' ' C' ' 320' ' ' LYS . 0.5 OUTLIER -88.56 145.51 25.67 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.48 -0.762 . . . . 7.4 111.624 -178.836 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.527 ' C ' ' H ' ' C' ' 323' ' ' LEU . 31.7 mttm 58.86 89.88 0.1 OUTLIER Pre-proline 0 N--CA 1.495 1.82 0 N-CA-C 113.627 0.973 . . . . 6.83 113.627 176.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -77.03 8.66 3.07 Favored 'Trans proline' 0 C--N 1.317 -1.116 0 N-CA-C 105.914 -2.379 . . . . 4.27 105.914 175.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.527 ' H ' ' C ' ' C' ' 321' ' ' LYS . 10.4 mt -79.31 47.84 0.84 Allowed 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 115.442 -0.799 . . . . 4.83 111.168 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.89 -131.41 0.01 OUTLIER 'General case' 0 C--N 1.288 -2.081 0 N-CA-C 107.725 -1.213 . . . . 3.01 107.725 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.9 150.99 51.07 Favored Glycine 0 N--CA 1.489 2.167 0 N-CA-C 108.402 -1.879 . . . . 0.92 108.402 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -56.05 139.91 45.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.013 -1.286 . . . . 2.04 108.754 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -90.98 153.59 20.06 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.136 -0.977 . . . . 0.77 110.079 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -140.5 179.04 6.9 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.7 -0.852 . . . . 0.79 108.7 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 18.0 p -140.33 149.73 43.09 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 108.441 -0.948 . . . . 0.33 108.441 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 48.7 tp -141.92 132.14 24.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.442 -0.786 . . . . 0.48 109.526 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -83.89 130.92 34.9 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.351 -0.981 . . . . 1.42 108.351 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 42.8 mt -123.17 113.48 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 CA-C-O 121.605 0.717 . . . . 0.31 109.285 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.33 151.13 41.39 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 120.171 -0.612 . . . . 2.03 109.388 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.36 139.63 5.53 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.299 -1.121 . . . . 0.38 110.299 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -85.0 -47.48 10.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.514 -0.992 . . . . 3.09 109.186 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -58.06 -42.15 84.84 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.331 -0.856 . . . . 2.23 109.204 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.406 HH22 ' CG ' ' A' ' 352' ' ' ASP . 18.8 ttm180 -63.18 -41.09 99.15 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.371 -0.83 . . . . 2.0 109.368 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -55.24 -57.02 13.51 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.563 -0.711 . . . . 0.4 109.772 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -51.49 -38.41 53.82 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.436 -0.79 . . . . 1.68 109.726 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.9 ttp -63.45 -51.51 65.34 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.276 -0.89 . . . . 0.38 110.186 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -60.97 -46.2 91.71 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.091 -1.005 . . . . 0.6 109.384 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -51.68 -42.55 62.24 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.229 -0.919 . . . . 1.79 109.323 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.99 -53.12 61.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.328 -0.858 . . . . 1.42 110.275 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 14.9 mt -59.56 -37.74 79.25 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.967 -1.083 . . . . 0.33 108.867 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -59.95 -55.08 38.53 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.165 -0.959 . . . . 1.29 109.119 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -60.49 -33.76 73.07 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.306 -0.871 . . . . 2.13 109.24 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.562 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.8 -53.79 54.4 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.289 -0.882 . . . . 0.19 109.595 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 33.5 mt -61.78 -44.94 95.89 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.292 -0.88 . . . . 0.38 109.287 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.81 -34.18 71.22 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.228 -0.92 . . . . 1.84 108.912 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 12.3 tp -64.79 -49.8 69.27 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.411 -0.806 . . . . 1.18 109.462 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -63.33 -42.98 99.0 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.288 -0.882 . . . . 1.51 108.999 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.87 -33.61 64.72 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.564 -0.71 . . . . 1.27 109.269 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.91 -42.44 85.44 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.313 -0.867 . . . . 0.69 109.51 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -82.72 -14.29 54.84 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.236 -0.915 . . . . 1.79 109.089 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 355' ' ' ALA . . . . . 0.417 ' C ' ' H ' ' C' ' 357' ' ' LYS . . . -71.83 -41.46 68.16 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.453 -0.943 . . . . 1.19 108.453 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -78.36 20.06 4.33 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.164 -1.574 . . . . 1.49 109.164 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 357' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' C' ' 355' ' ' ALA . 60.3 tttt -83.05 117.0 22.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.297 -1.12 . . . . 4.08 108.727 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -49.11 147.63 4.83 Favored Pre-proline 0 N--CA 1.488 1.461 0 O-C-N 121.299 -0.875 . . . . 5.69 109.361 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -60.85 119.16 6.17 Favored 'Trans proline' 0 C--N 1.322 -0.833 0 N-CA-C 109.115 -1.148 . . . . 5.08 109.115 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.486 0 CA-C-O 117.992 -1.449 . . . . 7.01 109.793 -179.801 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.418 ' N ' ' HZ3' ' D' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.195 -0.668 . . . . 7.38 109.195 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.501 ' HD2' ' H ' ' D' ' 320' ' ' LYS . 0.5 OUTLIER -88.62 145.57 25.61 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.387 -0.821 . . . . 7.4 111.572 -178.801 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.521 ' C ' ' H ' ' D' ' 323' ' ' LEU . 31.7 mttm 58.89 89.92 0.1 OUTLIER Pre-proline 0 N--CA 1.495 1.808 0 N-CA-C 113.562 0.949 . . . . 6.84 113.562 176.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -77.15 8.73 3.08 Favored 'Trans proline' 0 C--N 1.316 -1.15 0 N-CA-C 105.856 -2.401 . . . . 4.26 105.856 175.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 323' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' D' ' 321' ' ' LYS . 10.6 mt -79.42 47.91 0.86 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 115.438 -0.801 . . . . 4.81 111.11 -178.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.85 -131.44 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.06 0 N-CA-C 107.764 -1.199 . . . . 3.01 107.764 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.8 150.93 51.08 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 108.422 -1.871 . . . . 0.91 108.422 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -56.15 139.88 46.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.002 -1.293 . . . . 2.04 108.778 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -90.9 153.58 20.09 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.188 -0.945 . . . . 0.77 110.101 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -140.52 179.02 6.91 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.724 -0.843 . . . . 0.79 108.724 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 18.1 p -140.33 149.71 43.07 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.451 -0.944 . . . . 0.31 108.451 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 49.0 tp -141.95 132.14 24.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.416 -0.803 . . . . 0.48 109.458 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -83.84 130.91 34.92 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.327 -0.99 . . . . 1.41 108.327 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 42.9 mt -123.16 113.54 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 CA-C-O 121.69 0.757 . . . . 0.3 109.311 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.35 151.09 41.38 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.636 -0.665 . . . . 2.02 109.361 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.37 139.66 5.55 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 110.271 -1.132 . . . . 0.37 110.271 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -85.03 -47.44 10.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.48 -1.012 . . . . 3.07 109.166 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -58.07 -42.12 84.86 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.33 -0.856 . . . . 2.26 109.201 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.403 HH22 ' CG ' ' B' ' 352' ' ' ASP . 18.7 ttm180 -63.26 -41.03 98.99 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.367 -0.833 . . . . 2.01 109.333 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -55.34 -56.93 14.42 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.476 -0.765 . . . . 0.41 109.786 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -51.51 -38.37 53.75 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.339 -0.851 . . . . 1.68 109.72 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.9 ttp -63.59 -51.38 65.59 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.247 -0.908 . . . . 0.38 110.194 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -61.03 -46.16 91.86 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.129 -0.982 . . . . 0.61 109.403 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -51.66 -42.59 62.22 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.12 -0.988 . . . . 1.79 109.276 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -60.0 -53.08 62.09 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.383 -0.823 . . . . 1.4 110.343 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 14.8 mt -59.58 -37.66 79.1 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.985 -1.072 . . . . 0.31 108.943 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -59.97 -55.07 38.6 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.124 -0.985 . . . . 1.29 109.075 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -60.53 -33.74 73.1 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.296 -0.878 . . . . 2.13 109.165 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.562 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.85 -53.8 54.31 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.259 -0.901 . . . . 0.19 109.582 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 33.5 mt -61.79 -44.91 95.95 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.244 -0.91 . . . . 0.39 109.287 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.82 -34.17 71.21 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.217 -0.927 . . . . 1.84 108.893 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 12.3 tp -64.84 -49.83 69.04 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.5 -0.75 . . . . 1.18 109.437 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -63.25 -43.09 98.99 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.275 -0.891 . . . . 1.51 108.961 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 352' ' ' ASP . . . . . 0.408 ' CG ' HH22 ' B' ' 337' ' ' ARG . 0.8 OUTLIER -55.84 -33.64 64.68 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.536 -0.728 . . . . 1.28 109.252 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.89 -42.43 85.53 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.282 -0.886 . . . . 0.68 109.511 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -82.65 -14.43 54.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.163 -0.961 . . . . 1.77 109.043 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 355' ' ' ALA . . . . . 0.417 ' C ' ' H ' ' D' ' 357' ' ' LYS . . . -71.72 -41.52 68.43 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.15 -0.969 . . . . 1.15 108.467 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -78.31 20.09 4.27 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 109.172 -1.571 . . . . 1.47 109.172 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 357' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' D' ' 355' ' ' ALA . 60.3 tttt -83.07 117.02 22.57 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.366 -1.079 . . . . 4.1 108.717 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -49.1 147.56 4.86 Favored Pre-proline 0 N--CA 1.489 1.508 0 O-C-N 121.237 -0.915 . . . . 5.69 109.382 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -60.83 119.27 6.34 Favored 'Trans proline' 0 C--N 1.323 -0.808 0 N-CA-C 109.068 -1.166 . . . . 5.09 109.068 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.499 0 CA-C-O 117.95 -1.472 . . . . 7.06 109.755 -179.797 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 319' ' ' LYS . . . . . 0.422 ' N ' ' HZ3' ' A' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.14 -0.689 . . . . 7.38 109.14 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.513 ' H ' ' HD2' ' A' ' 320' ' ' LYS . 0.5 OUTLIER -88.65 145.51 25.63 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.383 -0.823 . . . . 7.4 111.55 -178.788 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.518 ' C ' ' H ' ' A' ' 323' ' ' LEU . 31.8 mttm 58.88 89.91 0.1 OUTLIER Pre-proline 0 N--CA 1.495 1.802 0 N-CA-C 113.616 0.969 . . . . 6.84 113.616 176.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -77.08 8.63 3.1 Favored 'Trans proline' 0 C--N 1.316 -1.175 0 N-CA-C 105.836 -2.409 . . . . 4.26 105.836 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.518 ' H ' ' C ' ' A' ' 321' ' ' LYS . 10.5 mt -79.34 47.85 0.84 Allowed 'General case' 0 N--CA 1.489 1.516 0 CA-C-N 115.457 -0.792 . . . . 4.81 111.147 -178.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.83 -131.46 0.01 OUTLIER 'General case' 0 C--N 1.288 -2.087 0 N-CA-C 107.729 -1.211 . . . . 3.02 107.729 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.83 150.92 51.04 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 108.382 -1.887 . . . . 0.91 108.382 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -56.11 139.82 45.92 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.948 -1.324 . . . . 2.04 108.74 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -90.85 153.61 20.09 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.191 -0.943 . . . . 0.78 110.126 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -140.59 178.98 6.95 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.656 -0.868 . . . . 0.79 108.656 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . . . . . . . . . 18.0 p -140.28 149.74 43.19 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 108.425 -0.954 . . . . 0.31 108.425 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 48.9 tp -141.92 132.09 24.82 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.347 -0.846 . . . . 0.48 109.508 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -83.84 130.95 34.92 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 108.353 -0.981 . . . . 1.4 108.353 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 42.7 mt -123.17 113.48 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 CA-C-O 121.641 0.734 . . . . 0.3 109.303 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.36 151.15 41.33 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.659 -0.651 . . . . 2.02 109.4 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.3 139.67 5.52 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 110.301 -1.119 . . . . 0.37 110.301 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -85.07 -47.37 10.26 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.523 -0.987 . . . . 3.07 109.16 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -58.23 -42.02 85.38 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.355 -0.841 . . . . 2.26 109.161 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -63.25 -41.01 99.01 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.391 -0.818 . . . . 2.01 109.388 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -55.34 -56.96 14.04 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.467 -0.771 . . . . 0.41 109.77 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -51.58 -38.32 53.91 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.33 -0.856 . . . . 1.68 109.72 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 20.9 ttp -63.47 -51.51 65.31 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.248 -0.907 . . . . 0.37 110.146 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -61.01 -46.2 91.72 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.112 -0.993 . . . . 0.6 109.342 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -51.67 -42.57 62.23 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.174 -0.954 . . . . 1.79 109.33 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.99 -53.04 62.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.324 -0.86 . . . . 1.4 110.339 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 14.8 mt -59.64 -37.68 79.35 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.021 -1.049 . . . . 0.31 108.884 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -60.02 -55.07 38.49 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.13 -0.981 . . . . 1.29 109.05 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -60.53 -33.7 73.03 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.218 -0.926 . . . . 2.13 109.203 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.581 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -58.87 -53.77 54.61 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.291 -0.881 . . . . 0.19 109.57 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 33.2 mt -61.76 -45.06 95.53 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.318 -0.864 . . . . 0.39 109.294 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -58.62 -34.27 70.98 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.234 -0.916 . . . . 1.84 108.949 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.493 HD11 HE22 ' B' ' 354' ' ' GLN . 12.3 tp -64.78 -49.81 69.24 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.477 -0.764 . . . . 1.18 109.488 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -63.25 -43.1 98.99 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.23 -0.919 . . . . 1.51 108.925 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . 0.406 ' CG ' HH22 ' C' ' 337' ' ' ARG . 0.8 OUTLIER -55.88 -33.55 64.69 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.626 -0.671 . . . . 1.27 109.256 179.815 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.96 -42.39 85.25 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.295 -0.878 . . . . 0.68 109.483 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.484 HE22 HD11 ' B' ' 350' ' ' LEU . 22.2 mt-30 -82.69 -14.33 54.8 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.217 -0.927 . . . . 1.77 109.067 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.416 ' C ' ' H ' ' A' ' 357' ' ' LYS . . . -71.83 -41.53 68.08 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.184 -0.947 . . . . 1.15 108.448 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -78.28 20.09 4.25 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.128 -1.589 . . . . 1.47 109.128 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 355' ' ' ALA . 60.3 tttt -83.1 116.97 22.55 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.267 -1.137 . . . . 4.1 108.78 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -49.1 147.64 4.81 Favored Pre-proline 0 N--CA 1.489 1.487 0 O-C-N 121.249 -0.907 . . . . 5.69 109.394 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -60.87 119.25 6.31 Favored 'Trans proline' 0 C--N 1.323 -0.786 0 N-CA-C 109.088 -1.159 . . . . 5.1 109.088 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.427 0 CA-C-O 118.005 -1.442 . . . . 7.06 109.818 -179.828 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.421 ' N ' ' HZ3' ' B' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.131 -0.692 . . . . 7.39 109.131 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.51 ' HD2' ' H ' ' B' ' 320' ' ' LYS . 0.5 OUTLIER -88.58 145.5 25.66 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.424 -0.798 . . . . 7.41 111.673 -178.83 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.533 ' C ' ' H ' ' B' ' 323' ' ' LEU . 31.8 mttm 58.86 90.01 0.1 OUTLIER Pre-proline 0 N--CA 1.495 1.807 0 N-CA-C 113.563 0.949 . . . . 6.83 113.563 176.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -77.11 8.68 3.09 Favored 'Trans proline' 0 C--N 1.317 -1.114 0 N-CA-C 105.857 -2.401 . . . . 4.26 105.857 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . 0.533 ' H ' ' C ' ' B' ' 321' ' ' LYS . 10.5 mt -79.35 47.82 0.84 Allowed 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 115.462 -0.79 . . . . 4.83 111.161 -178.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.8 -131.48 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.062 0 N-CA-C 107.781 -1.192 . . . . 3.02 107.781 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.8 151.0 51.16 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 108.389 -1.885 . . . . 0.92 108.389 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -56.17 139.87 46.14 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.015 -1.286 . . . . 2.05 108.713 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -90.9 153.63 20.06 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.198 -0.939 . . . . 0.77 110.139 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -140.52 179.02 6.92 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.7 -0.852 . . . . 0.8 108.7 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 18.0 p -140.38 149.69 42.97 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 108.429 -0.952 . . . . 0.32 108.429 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 49.0 tp -141.91 132.12 24.86 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.408 -0.807 . . . . 0.48 109.502 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -83.85 130.92 34.91 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.295 -1.002 . . . . 1.42 108.295 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 43.0 mt -123.2 113.48 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 CA-C-O 121.692 0.758 . . . . 0.31 109.342 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.29 151.12 41.46 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.623 -0.673 . . . . 2.03 109.393 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.32 139.63 5.51 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 110.321 -1.112 . . . . 0.37 110.321 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -85.03 -47.4 10.25 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.51 -0.994 . . . . 3.09 109.185 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -58.12 -42.08 85.01 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.266 -0.896 . . . . 2.24 109.186 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.408 HH22 ' CG ' ' D' ' 352' ' ' ASP . 18.8 ttm180 -63.22 -41.07 99.07 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.391 -0.818 . . . . 2.0 109.349 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -55.3 -56.95 14.14 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.468 -0.77 . . . . 0.4 109.828 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -51.45 -38.43 53.69 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.356 -0.84 . . . . 1.68 109.766 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 21.0 ttp -63.48 -51.49 65.38 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.289 -0.882 . . . . 0.38 110.161 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -61.02 -46.14 91.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.08 -1.012 . . . . 0.6 109.355 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -51.67 -42.64 62.29 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.157 -0.965 . . . . 1.79 109.257 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.97 -53.04 62.54 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.261 -0.899 . . . . 1.42 110.343 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 14.8 mt -59.58 -37.74 79.33 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.008 -1.057 . . . . 0.33 108.936 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -59.94 -55.06 38.79 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.159 -0.963 . . . . 1.29 109.097 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -60.49 -33.77 73.09 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.218 -0.926 . . . . 2.12 109.261 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.581 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -58.8 -53.79 54.43 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.245 -0.909 . . . . 0.18 109.578 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 33.2 mt -61.82 -44.89 95.94 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.245 -0.909 . . . . 0.38 109.316 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -58.81 -34.13 71.15 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.247 -0.908 . . . . 1.84 108.947 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.484 HD11 HE22 ' A' ' 354' ' ' GLN . 12.3 tp -64.88 -49.79 69.11 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.483 -0.761 . . . . 1.18 109.414 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -63.32 -43.02 98.97 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.348 -0.845 . . . . 1.51 108.955 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . 0.403 ' CG ' HH22 ' D' ' 337' ' ' ARG . 0.8 OUTLIER -55.91 -33.54 64.74 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.505 -0.747 . . . . 1.27 109.286 179.781 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.01 -42.34 85.11 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.264 -0.897 . . . . 0.69 109.471 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.493 HE22 HD11 ' A' ' 350' ' ' LEU . 22.1 mt-30 -82.76 -14.34 54.65 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.171 -0.956 . . . . 1.78 109.016 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . 0.416 ' C ' ' H ' ' B' ' 357' ' ' LYS . . . -71.78 -41.5 68.25 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 108.465 -0.939 . . . . 1.19 108.465 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -78.28 20.02 4.29 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.159 -1.576 . . . . 1.49 109.159 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' B' ' 355' ' ' ALA . 60.3 tttt -83.09 116.99 22.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.277 -1.131 . . . . 4.09 108.659 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -49.09 147.56 4.84 Favored Pre-proline 0 N--CA 1.489 1.494 0 O-C-N 121.257 -0.902 . . . . 5.69 109.373 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -60.93 119.28 6.36 Favored 'Trans proline' 0 C--N 1.323 -0.766 0 N-CA-C 109.051 -1.173 . . . . 5.08 109.051 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.405 0 CA-C-O 117.995 -1.447 . . . . 7.02 109.799 -179.783 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.428 ' N ' ' HZ3' ' C' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.248 -0.649 . . . . 7.38 109.248 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.503 ' H ' ' HD2' ' C' ' 320' ' ' LYS . 0.5 OUTLIER -88.56 145.51 25.67 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.48 -0.762 . . . . 7.4 111.624 -178.836 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.527 ' C ' ' H ' ' C' ' 323' ' ' LEU . 31.7 mttm 58.86 89.88 0.1 OUTLIER Pre-proline 0 N--CA 1.495 1.82 0 N-CA-C 113.627 0.973 . . . . 6.83 113.627 176.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -77.03 8.66 3.07 Favored 'Trans proline' 0 C--N 1.317 -1.116 0 N-CA-C 105.914 -2.379 . . . . 4.27 105.914 175.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.527 ' H ' ' C ' ' C' ' 321' ' ' LYS . 10.4 mt -79.31 47.84 0.84 Allowed 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 115.442 -0.799 . . . . 4.83 111.168 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.89 -131.41 0.01 OUTLIER 'General case' 0 C--N 1.288 -2.081 0 N-CA-C 107.725 -1.213 . . . . 3.01 107.725 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.9 150.99 51.07 Favored Glycine 0 N--CA 1.489 2.167 0 N-CA-C 108.402 -1.879 . . . . 0.92 108.402 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -56.05 139.91 45.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.013 -1.286 . . . . 2.04 108.754 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -90.98 153.59 20.06 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.136 -0.977 . . . . 0.77 110.079 -179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -140.5 179.04 6.9 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.7 -0.852 . . . . 0.79 108.7 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . . . . . . . . . 18.0 p -140.33 149.73 43.09 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 108.441 -0.948 . . . . 0.33 108.441 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 48.7 tp -141.92 132.14 24.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.442 -0.786 . . . . 0.48 109.526 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -83.89 130.92 34.9 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.351 -0.981 . . . . 1.42 108.351 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 42.8 mt -123.17 113.48 37.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 CA-C-O 121.605 0.717 . . . . 0.31 109.285 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.33 151.13 41.39 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 120.171 -0.612 . . . . 2.03 109.388 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.36 139.63 5.53 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 110.299 -1.121 . . . . 0.38 110.299 179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -85.0 -47.48 10.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.514 -0.992 . . . . 3.09 109.186 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -58.06 -42.15 84.84 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.331 -0.856 . . . . 2.23 109.204 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.406 HH22 ' CG ' ' A' ' 352' ' ' ASP . 18.8 ttm180 -63.18 -41.09 99.15 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.371 -0.83 . . . . 2.0 109.368 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -55.24 -57.02 13.51 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.563 -0.711 . . . . 0.4 109.772 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -51.49 -38.41 53.82 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.436 -0.79 . . . . 1.68 109.726 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 20.9 ttp -63.45 -51.51 65.34 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.276 -0.89 . . . . 0.38 110.186 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -60.97 -46.2 91.71 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.091 -1.005 . . . . 0.6 109.384 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -51.68 -42.55 62.24 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.229 -0.919 . . . . 1.79 109.323 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.99 -53.12 61.59 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.328 -0.858 . . . . 1.42 110.275 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 14.9 mt -59.56 -37.74 79.25 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.967 -1.083 . . . . 0.33 108.867 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -59.95 -55.08 38.53 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.165 -0.959 . . . . 1.29 109.119 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -60.49 -33.76 73.07 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.306 -0.871 . . . . 2.13 109.24 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.562 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -58.8 -53.79 54.4 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.289 -0.882 . . . . 0.19 109.595 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 33.5 mt -61.78 -44.94 95.89 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.292 -0.88 . . . . 0.38 109.287 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.81 -34.18 71.22 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.228 -0.92 . . . . 1.84 108.912 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.478 HD11 HE22 ' D' ' 354' ' ' GLN . 12.3 tp -64.79 -49.8 69.27 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.411 -0.806 . . . . 1.18 109.462 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -63.33 -42.98 99.0 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.288 -0.882 . . . . 1.51 108.999 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.87 -33.61 64.72 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.564 -0.71 . . . . 1.27 109.269 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.91 -42.44 85.44 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.313 -0.867 . . . . 0.69 109.51 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.488 HE22 HD11 ' D' ' 350' ' ' LEU . 22.2 mt-30 -82.72 -14.29 54.84 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.236 -0.915 . . . . 1.79 109.089 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . 0.417 ' C ' ' H ' ' C' ' 357' ' ' LYS . . . -71.83 -41.46 68.16 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.453 -0.943 . . . . 1.19 108.453 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -78.36 20.06 4.33 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.164 -1.574 . . . . 1.49 109.164 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' C' ' 355' ' ' ALA . 60.3 tttt -83.05 117.0 22.53 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.297 -1.12 . . . . 4.08 108.727 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -49.11 147.63 4.83 Favored Pre-proline 0 N--CA 1.488 1.461 0 O-C-N 121.299 -0.875 . . . . 5.69 109.361 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -60.85 119.16 6.17 Favored 'Trans proline' 0 C--N 1.322 -0.833 0 N-CA-C 109.115 -1.148 . . . . 5.08 109.115 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.486 0 CA-C-O 117.992 -1.449 . . . . 7.01 109.793 -179.801 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.418 ' N ' ' HZ3' ' D' ' 320' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.195 -0.668 . . . . 7.38 109.195 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.501 ' H ' ' HD2' ' D' ' 320' ' ' LYS . 0.5 OUTLIER -88.62 145.57 25.61 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.387 -0.821 . . . . 7.4 111.572 -178.801 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.521 ' C ' ' H ' ' D' ' 323' ' ' LEU . 31.7 mttm 58.89 89.92 0.1 OUTLIER Pre-proline 0 N--CA 1.495 1.808 0 N-CA-C 113.562 0.949 . . . . 6.84 113.562 176.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -77.15 8.73 3.08 Favored 'Trans proline' 0 C--N 1.316 -1.15 0 N-CA-C 105.856 -2.401 . . . . 4.26 105.856 175.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' D' ' 321' ' ' LYS . 10.6 mt -79.42 47.91 0.86 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 115.438 -0.801 . . . . 4.81 111.11 -178.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.85 -131.44 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.06 0 N-CA-C 107.764 -1.199 . . . . 3.01 107.764 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.8 150.93 51.08 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 108.422 -1.871 . . . . 0.91 108.422 178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -56.15 139.88 46.0 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.002 -1.293 . . . . 2.04 108.778 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -90.9 153.58 20.09 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.188 -0.945 . . . . 0.77 110.101 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -140.52 179.02 6.91 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 108.724 -0.843 . . . . 0.79 108.724 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . . . . . . . . . 18.1 p -140.33 149.71 43.07 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.451 -0.944 . . . . 0.31 108.451 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 49.0 tp -141.95 132.14 24.82 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.416 -0.803 . . . . 0.48 109.458 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -83.84 130.91 34.92 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.327 -0.99 . . . . 1.41 108.327 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 42.9 mt -123.16 113.54 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 CA-C-O 121.69 0.757 . . . . 0.3 109.311 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.35 151.09 41.38 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.636 -0.665 . . . . 2.02 109.361 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 86.37 139.66 5.55 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 110.271 -1.132 . . . . 0.37 110.271 179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -85.03 -47.44 10.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.48 -1.012 . . . . 3.07 109.166 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -58.07 -42.12 84.86 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.33 -0.856 . . . . 2.26 109.201 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.403 HH22 ' CG ' ' B' ' 352' ' ' ASP . 18.7 ttm180 -63.26 -41.03 98.99 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.367 -0.833 . . . . 2.01 109.333 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -55.34 -56.93 14.42 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.476 -0.765 . . . . 0.41 109.786 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -51.51 -38.37 53.75 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.339 -0.851 . . . . 1.68 109.72 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 20.9 ttp -63.59 -51.38 65.59 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.247 -0.908 . . . . 0.38 110.194 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -61.03 -46.16 91.86 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.129 -0.982 . . . . 0.61 109.403 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -51.66 -42.59 62.22 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.12 -0.988 . . . . 1.79 109.276 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -60.0 -53.08 62.09 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.383 -0.823 . . . . 1.4 110.343 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 14.8 mt -59.58 -37.66 79.1 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.985 -1.072 . . . . 0.31 108.943 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -59.97 -55.07 38.6 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.124 -0.985 . . . . 1.29 109.075 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -60.53 -33.74 73.1 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.296 -0.878 . . . . 2.13 109.165 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.562 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -58.85 -53.8 54.31 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.259 -0.901 . . . . 0.19 109.582 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 33.5 mt -61.79 -44.91 95.95 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.244 -0.91 . . . . 0.39 109.287 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -58.82 -34.17 71.21 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.217 -0.927 . . . . 1.84 108.893 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.488 HD11 HE22 ' C' ' 354' ' ' GLN . 12.3 tp -64.84 -49.83 69.04 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.5 -0.75 . . . . 1.18 109.437 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -63.25 -43.09 98.99 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.275 -0.891 . . . . 1.51 108.961 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . 0.408 ' CG ' HH22 ' B' ' 337' ' ' ARG . 0.8 OUTLIER -55.84 -33.64 64.68 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.536 -0.728 . . . . 1.28 109.252 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.89 -42.43 85.53 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.282 -0.886 . . . . 0.68 109.511 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.478 HE22 HD11 ' C' ' 350' ' ' LEU . 22.2 mt-30 -82.65 -14.43 54.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.163 -0.961 . . . . 1.77 109.043 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . 0.417 ' C ' ' H ' ' D' ' 357' ' ' LYS . . . -71.72 -41.52 68.43 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.15 -0.969 . . . . 1.15 108.467 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -78.31 20.09 4.27 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 109.172 -1.571 . . . . 1.47 109.172 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' D' ' 355' ' ' ALA . 60.3 tttt -83.07 117.02 22.57 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.366 -1.079 . . . . 4.1 108.717 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -49.1 147.56 4.86 Favored Pre-proline 0 N--CA 1.489 1.508 0 O-C-N 121.237 -0.915 . . . . 5.69 109.382 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -60.83 119.27 6.34 Favored 'Trans proline' 0 C--N 1.323 -0.808 0 N-CA-C 109.068 -1.166 . . . . 5.09 109.068 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.499 0 CA-C-O 117.95 -1.472 . . . . 7.06 109.755 -179.797 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_