data_1sal_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 1sal _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 . . . . . 0.493 ' O ' ' HB2' ' A' ' 320' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.481 -0.563 . . . . 8.0600000000000005 109.481 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 320' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 319' ' ' LYS . 0.1 OUTLIER 70.61 0.12 3.15 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.621 -0.674 . . . . 7.1799999999999997 110.384 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.49 ' O ' ' O ' ' A' ' 320' ' ' LYS . 0.0 OUTLIER 57.1 134.58 0.02 OUTLIER Pre-proline 0 N--CA 1.495 1.822 0 O-C-N 121.311 -0.868 . . . . 8.0199999999999996 111.405 178.562 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -82.16 23.07 0.81 Allowed 'Trans proline' 0 C--N 1.317 -1.129 0 C-N-CA 122.713 2.275 . . . . 5.1600000000000001 109.794 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 11.3 mt -81.81 41.04 0.63 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.031 -1.043 . . . . 5.0199999999999996 111.382 -178.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -78.08 -139.39 0.02 OUTLIER 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.168 -1.049 . . . . 3.4199999999999999 108.168 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.05 156.35 52.85 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 108.82 -1.712 . . . . 1.28 108.82 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -56.41 143.26 35.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.008 -1.289 . . . . 1.8100000000000001 109.135 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -91.31 152.47 20.46 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.292 -0.88 . . . . 1.23 109.384 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.588 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 86.9 m-85 -138.86 -168.97 2.52 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.294 -0.879 . . . . 0.60999999999999999 109.523 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 329' ' ' THR . . . . . 0.472 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 11.7 p -153.34 158.95 42.3 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.325 -0.86 . . . . 1.1399999999999999 109.203 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' C' ' 342' ' ' ARG . 13.9 tp -148.39 131.21 16.07 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.267 -0.896 . . . . 1.1000000000000001 109.452 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -84.94 130.24 34.67 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.339 -0.85 . . . . 1.6499999999999999 109.263 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.449 HD11 ' HB2' ' A' ' 341' ' ' PHE . 50.8 mt -123.52 112.05 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.225 -0.922 . . . . 1.1000000000000001 109.437 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.79 146.4 48.07 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.283 -0.886 . . . . 2.23 109.332 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.17 135.65 8.72 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.477 -1.449 . . . . 0.41999999999999998 109.477 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.593 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 61.0 ttt180 -81.39 -53.19 6.52 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.267 -1.137 . . . . 3.2999999999999998 109.625 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.85 -45.61 89.69 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.286 -0.884 . . . . 2.21 109.71 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.509 ' NH2' ' HB3' ' C' ' 348' ' ' LEU . 2.2 ttm180 -61.37 -41.37 96.98 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.27 -0.893 . . . . 2.6699999999999999 109.936 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.478 ' CE1' ' O ' ' C' ' 329' ' ' THR . 51.4 t80 -53.62 -55.25 27.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.305 -0.872 . . . . 0.48999999999999999 109.531 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -51.44 -36.74 45.31 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.296 -0.878 . . . . 1.4299999999999999 109.812 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.8 ttp -62.73 -49.09 76.43 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.188 -0.945 . . . . 1.1799999999999999 110.057 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.449 ' HB2' HD11 ' A' ' 332' ' ' ILE . 21.2 m-85 -60.0 -53.62 55.65 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.222 -0.924 . . . . 0.56999999999999995 109.326 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.461 ' HA ' HD12 ' C' ' 330' ' ' LEU . 28.0 ttp180 -50.92 -38.05 47.79 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.382 -0.823 . . . . 2.3999999999999999 109.762 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -60.2 -47.31 86.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.137 -0.977 . . . . 1.4399999999999999 109.984 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.465 HD23 HD23 ' B' ' 344' ' ' LEU . 63.1 mt -60.85 -40.1 91.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.165 -0.96 . . . . 1.1000000000000001 109.235 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . 0.421 ' C ' ' OD1' ' A' ' 345' ' ' ASN . 45.3 t-20 -59.02 -52.1 67.22 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.358 -0.839 . . . . 1.5800000000000001 109.778 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . 0.412 ' HB3' ' NZ ' ' B' ' 351' ' ' LYS . 6.6 mt-10 -60.75 -32.86 72.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.255 -0.903 . . . . 1.77 109.485 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.19 -51.8 67.5 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.222 -0.924 . . . . 1.0900000000000001 109.556 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.508 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 57.9 mt -61.67 -41.6 97.78 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.409 -0.807 . . . . 1.1799999999999999 109.576 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -60.15 -36.15 76.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.23 -0.919 . . . . 1.76 109.598 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 351' ' ' LYS . 3.2 tp -64.9 -45.1 87.33 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.245 -0.909 . . . . 1.73 109.578 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . 0.452 ' NZ ' ' HB3' ' B' ' 346' ' ' GLU . 18.7 ttmt -61.81 -40.52 95.56 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.331 -0.856 . . . . 2.0800000000000001 108.998 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . 0.424 ' HA ' ' HB1' ' A' ' 355' ' ' ALA . 1.0 OUTLIER -59.25 -32.23 69.81 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.594 -0.691 . . . . 1.1699999999999999 109.661 179.635 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.27 -44.28 88.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.333 -0.854 . . . . 1.1499999999999999 109.406 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -82.7 -12.37 57.63 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.252 -0.905 . . . . 1.51 109.018 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . 0.424 ' HB1' ' HA ' ' A' ' 352' ' ' ASP . . . -75.19 -42.08 56.51 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.675 -0.861 . . . . 1.26 108.675 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.2 13.85 52.75 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.325 -1.51 . . . . 1.6899999999999999 109.325 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -82.92 115.61 21.85 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.216 -1.167 . . . . 4.4500000000000002 108.755 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.39 133.38 7.69 Favored Pre-proline 0 N--CA 1.488 1.456 0 O-C-N 121.406 -0.809 . . . . 5.7999999999999998 109.85 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.7 -152.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.3 0 C-N-CA 122.039 1.826 . . . . 5.54 109.957 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 CA-C-O 118.025 -1.43 . . . . 6.9299999999999997 109.628 179.949 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 319' ' ' LYS . . . . . 0.489 ' O ' ' HB2' ' B' ' 320' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.458 -0.571 . . . . 8.0600000000000005 109.458 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' B' ' 321' ' ' LYS . 0.1 OUTLIER 70.61 0.17 3.17 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.638 -0.664 . . . . 7.1799999999999997 110.35 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 321' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' B' ' 320' ' ' LYS . 0.0 OUTLIER 57.06 134.62 0.02 OUTLIER Pre-proline 0 N--CA 1.496 1.857 0 O-C-N 121.283 -0.886 . . . . 8.0 111.356 178.512 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 322' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 321' ' ' LYS . 15.1 Cg_endo -82.1 22.93 0.82 Allowed 'Trans proline' 0 C--N 1.316 -1.147 0 C-N-CA 122.725 2.283 . . . . 5.1699999999999999 109.882 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 11.2 mt -81.63 40.9 0.61 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.975 -1.078 . . . . 5.0300000000000002 111.424 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.96 -139.55 0.02 OUTLIER 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.241 -1.022 . . . . 3.4100000000000001 108.241 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.8 156.36 52.65 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 108.833 -1.707 . . . . 1.28 108.833 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.46 143.32 35.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.062 -1.257 . . . . 1.79 109.23 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -91.37 152.51 20.4 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.137 -0.977 . . . . 1.21 109.319 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.595 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 87.2 m-85 -138.88 -168.93 2.52 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.267 -0.896 . . . . 0.58999999999999997 109.489 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 329' ' ' THR . . . . . 0.481 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 12.0 p -153.43 158.85 42.03 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.3 -0.875 . . . . 1.1200000000000001 109.289 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' D' ' 342' ' ' ARG . 13.9 tp -148.32 131.26 16.19 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.241 -0.912 . . . . 1.1100000000000001 109.464 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -84.93 130.33 34.66 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.381 -0.825 . . . . 1.6299999999999999 109.249 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.449 HD11 ' HB2' ' B' ' 341' ' ' PHE . 51.5 mt -123.59 112.05 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.194 -0.941 . . . . 1.1000000000000001 109.385 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.83 146.44 47.98 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.376 -0.828 . . . . 2.2400000000000002 109.336 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.09 135.71 8.74 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.509 -1.436 . . . . 0.40999999999999998 109.509 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.591 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 60.9 ttt180 -81.36 -53.27 6.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.338 -1.095 . . . . 3.25 109.626 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.86 -45.48 90.0 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.389 -0.819 . . . . 2.1800000000000002 109.759 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.506 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 2.2 ttm180 -61.5 -41.33 97.12 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.263 -0.898 . . . . 2.6600000000000001 109.885 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.472 ' CE1' ' O ' ' D' ' 329' ' ' THR . 51.6 t80 -53.59 -55.24 27.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.345 -0.847 . . . . 0.46000000000000002 109.599 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -51.39 -36.76 44.9 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.366 -0.834 . . . . 1.4099999999999999 109.795 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.8 ttp -62.78 -49.0 76.72 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.289 -0.882 . . . . 1.1899999999999999 110.101 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.449 ' HB2' HD11 ' B' ' 332' ' ' ILE . 21.0 m-85 -60.06 -53.58 56.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.227 -0.92 . . . . 0.58999999999999997 109.333 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.464 ' HA ' HD12 ' D' ' 330' ' ' LEU . 28.1 ttp180 -50.88 -38.1 47.54 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.376 -0.827 . . . . 2.3700000000000001 109.822 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -60.18 -47.31 86.48 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.142 -0.973 . . . . 1.45 109.981 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . 0.465 HD23 HD23 ' A' ' 344' ' ' LEU . 63.3 mt -60.81 -40.1 91.45 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.074 -1.016 . . . . 1.1100000000000001 109.269 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.412 ' C ' ' OD1' ' B' ' 345' ' ' ASN . 45.3 t-20 -59.08 -52.02 67.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.393 -0.817 . . . . 1.5800000000000001 109.799 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . 0.452 ' HB3' ' NZ ' ' A' ' 351' ' ' LYS . 6.6 mt-10 -60.9 -32.65 72.11 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.334 -0.853 . . . . 1.76 109.583 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.29 -51.64 68.04 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.26 -0.9 . . . . 1.0800000000000001 109.59 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . 0.513 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 57.6 mt -61.78 -41.59 97.91 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.342 -0.849 . . . . 1.1699999999999999 109.591 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -60.14 -36.11 76.8 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.324 -0.86 . . . . 1.76 109.609 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 351' ' ' LYS . 3.3 tp -65.0 -45.04 87.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.315 -0.866 . . . . 1.74 109.495 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . 0.412 ' NZ ' ' HB3' ' A' ' 346' ' ' GLU . 18.7 ttmt -61.84 -40.57 95.78 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.259 -0.9 . . . . 2.1200000000000001 108.927 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . 0.429 ' HA ' ' HB1' ' B' ' 355' ' ' ALA . 1.0 OUTLIER -59.22 -32.23 69.76 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.634 -0.666 . . . . 1.1799999999999999 109.592 179.686 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.32 88.19 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.333 -0.854 . . . . 1.1399999999999999 109.391 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -82.6 -12.49 57.66 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.241 -0.912 . . . . 1.54 109.006 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . 0.429 ' HB1' ' HA ' ' B' ' 352' ' ' ASP . . . -75.2 -42.14 56.31 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.55 -0.907 . . . . 1.26 108.55 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.21 13.91 52.48 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 109.365 -1.494 . . . . 1.6899999999999999 109.365 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -82.93 115.59 21.85 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.159 -1.201 . . . . 4.4699999999999998 108.772 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.36 133.43 7.62 Favored Pre-proline 0 N--CA 1.488 1.474 0 O-C-N 121.365 -0.834 . . . . 5.8200000000000003 109.774 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.77 -152.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 122.002 1.801 . . . . 5.5300000000000002 109.945 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 N-CA-C 109.512 -1.435 . . . . 6.9199999999999999 109.512 179.92 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 319' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' C' ' 320' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.413 -0.588 . . . . 8.0500000000000007 109.413 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 320' ' ' LYS . . . . . 0.51 ' HB2' ' O ' ' C' ' 319' ' ' LYS . 0.1 OUTLIER 70.6 0.14 3.16 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.518 -0.739 . . . . 7.1799999999999997 110.298 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 321' ' ' LYS . . . . . 0.49 ' O ' ' O ' ' C' ' 320' ' ' LYS . 0.0 OUTLIER 57.2 134.57 0.02 OUTLIER Pre-proline 0 N--CA 1.497 1.906 0 O-C-N 121.237 -0.914 . . . . 8.0 111.314 178.435 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 322' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' C' ' 321' ' ' LYS . 14.5 Cg_endo -82.22 23.04 0.81 Allowed 'Trans proline' 0 C--N 1.315 -1.189 0 C-N-CA 122.621 2.214 . . . . 5.1500000000000004 109.792 178.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 11.2 mt -81.62 40.99 0.61 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.028 -1.045 . . . . 5.0099999999999998 111.457 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.96 -139.42 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.046 -1.034 . . . . 3.4199999999999999 108.24 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 325' ' ' GLY . . . . . . . . . . . . . . . -67.96 156.39 52.77 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 108.832 -1.707 . . . . 1.29 108.832 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.46 143.31 35.48 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.037 -1.272 . . . . 1.79 109.18 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -91.3 152.52 20.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.253 -0.904 . . . . 1.22 109.359 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.593 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 87.1 m-85 -138.93 -168.93 2.52 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.315 -0.865 . . . . 0.59999999999999998 109.555 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 329' ' ' THR . . . . . 0.478 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 11.6 p -153.44 158.91 42.09 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.32 -0.862 . . . . 1.1200000000000001 109.194 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 342' ' ' ARG . 13.9 tp -148.34 131.31 16.21 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.191 -0.943 . . . . 1.1100000000000001 109.406 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -85.03 130.29 34.65 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.238 -0.914 . . . . 1.6399999999999999 109.171 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.442 HD11 ' HB2' ' C' ' 341' ' ' PHE . 51.4 mt -123.51 112.07 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.21 -0.931 . . . . 1.1000000000000001 109.393 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.86 146.46 47.91 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.265 -0.897 . . . . 2.23 109.332 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.13 135.67 8.72 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.461 -1.456 . . . . 0.40999999999999998 109.461 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . 0.588 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 60.8 ttt180 -81.33 -53.32 6.43 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.24 -1.153 . . . . 3.25 109.581 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.78 -45.56 89.54 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.395 -0.816 . . . . 2.1800000000000002 109.713 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.508 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 2.2 ttm180 -61.5 -41.39 97.21 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.283 -0.885 . . . . 2.6800000000000002 109.872 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.472 ' CE1' ' O ' ' A' ' 329' ' ' THR . 51.8 t80 -53.49 -55.27 26.74 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.309 -0.869 . . . . 0.46999999999999997 109.678 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -51.4 -36.74 44.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.306 -0.871 . . . . 1.4199999999999999 109.767 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.9 ttp -62.82 -48.96 76.84 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.208 -0.932 . . . . 1.1799999999999999 110.033 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.442 ' HB2' HD11 ' C' ' 332' ' ' ILE . 20.9 m-85 -60.17 -53.51 56.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.23 -0.919 . . . . 0.57999999999999996 109.301 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.446 ' HA ' HD12 ' A' ' 330' ' ' LEU . 28.1 ttp180 -50.97 -38.03 48.31 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.454 -0.779 . . . . 2.3700000000000001 109.748 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.2 -47.31 86.49 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.116 -0.99 . . . . 1.4399999999999999 110.01 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . 0.454 HD23 HD23 ' D' ' 344' ' ' LEU . 62.9 mt -60.89 -40.04 91.52 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.12 -0.987 . . . . 1.1100000000000001 109.192 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . 0.432 ' C ' ' OD1' ' C' ' 345' ' ' ASN . 45.4 t-20 -59.07 -52.08 67.3 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.394 -0.816 . . . . 1.5800000000000001 109.816 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . 0.454 ' HB3' ' NZ ' ' D' ' 351' ' ' LYS . 6.6 mt-10 -60.88 -32.72 72.15 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.244 -0.91 . . . . 1.76 109.494 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.26 -51.7 67.83 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.229 -0.919 . . . . 1.0900000000000001 109.589 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . 0.509 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 57.7 mt -61.68 -41.72 97.96 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.327 -0.858 . . . . 1.1699999999999999 109.503 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -60.14 -36.17 76.92 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.359 -0.838 . . . . 1.76 109.559 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' D' ' 351' ' ' LYS . 3.2 tp -64.77 -45.16 87.56 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.251 -0.906 . . . . 1.74 109.552 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . 0.43 ' NZ ' ' HB3' ' D' ' 346' ' ' GLU . 18.7 ttmt -61.85 -40.54 95.69 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.361 -0.837 . . . . 2.1200000000000001 108.938 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . 0.442 ' HA ' ' HB1' ' C' ' 355' ' ' ALA . 1.0 OUTLIER -59.31 -32.17 69.81 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.512 -0.742 . . . . 1.1699999999999999 109.673 179.655 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.26 88.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.273 -0.892 . . . . 1.1399999999999999 109.425 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -82.76 -12.37 57.57 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.257 -0.902 . . . . 1.53 109.003 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . 0.442 ' HB1' ' HA ' ' C' ' 352' ' ' ASP . . . -75.26 -41.96 56.14 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.653 -0.869 . . . . 1.27 108.653 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.28 13.85 53.02 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 109.322 -1.511 . . . . 1.6799999999999999 109.322 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -82.89 115.51 21.79 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.136 -1.214 . . . . 4.4400000000000004 108.736 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.33 133.47 7.56 Favored Pre-proline 0 N--CA 1.488 1.472 0 O-C-N 121.35 -0.844 . . . . 5.8300000000000001 109.811 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.86 -152.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 122.023 1.815 . . . . 5.54 110.002 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 CA-C-O 118.02 -1.434 . . . . 6.9199999999999999 109.636 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 319' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' D' ' 320' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.484 -0.561 . . . . 8.0399999999999991 109.484 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 320' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' D' ' 319' ' ' LYS . 0.1 OUTLIER 70.67 0.14 3.18 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.599 -0.688 . . . . 7.1900000000000004 110.351 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 321' ' ' LYS . . . . . 0.495 ' O ' ' O ' ' D' ' 320' ' ' LYS . 0.0 OUTLIER 57.14 134.48 0.02 OUTLIER Pre-proline 0 N--CA 1.496 1.858 0 O-C-N 121.366 -0.834 . . . . 8.0 111.421 178.484 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' D' ' 321' ' ' LYS . 14.6 Cg_endo -82.13 22.97 0.81 Allowed 'Trans proline' 0 C--N 1.317 -1.131 0 C-N-CA 122.705 2.27 . . . . 5.1600000000000001 109.808 178.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 11.2 mt -81.61 40.92 0.61 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.085 -1.009 . . . . 5.0300000000000002 111.45 -178.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.95 -139.39 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.243 -1.021 . . . . 3.4300000000000002 108.243 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 325' ' ' GLY . . . . . . . . . . . . . . . -68.07 156.41 52.85 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 108.78 -1.728 . . . . 1.29 108.78 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.49 143.31 35.65 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.055 -1.262 . . . . 1.8100000000000001 109.158 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -91.26 152.46 20.49 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.182 -0.949 . . . . 1.23 109.399 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.591 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 87.3 m-85 -138.9 -168.96 2.53 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.283 -0.885 . . . . 0.62 109.504 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 329' ' ' THR . . . . . 0.472 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 11.8 p -153.36 158.95 42.28 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.357 -0.839 . . . . 1.1399999999999999 109.169 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' B' ' 342' ' ' ARG . 13.9 tp -148.36 131.38 16.27 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.24 -0.912 . . . . 1.1000000000000001 109.445 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -85.09 130.29 34.64 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.322 -0.861 . . . . 1.6499999999999999 109.216 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.44 HD11 ' HB2' ' D' ' 341' ' ' PHE . 51.3 mt -123.56 112.09 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.205 -0.934 . . . . 1.1000000000000001 109.394 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.82 146.45 47.99 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.329 -0.857 . . . . 2.2200000000000002 109.281 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.05 135.67 8.72 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.484 -1.447 . . . . 0.42999999999999999 109.484 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . 0.595 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 60.8 ttt180 -81.34 -53.23 6.5 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.281 -1.129 . . . . 3.3100000000000001 109.654 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.89 -45.48 90.16 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.277 -0.889 . . . . 2.21 109.738 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.513 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 2.2 ttm180 -61.55 -41.29 97.14 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.273 -0.892 . . . . 2.6699999999999999 109.904 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.481 ' CE1' ' O ' ' B' ' 329' ' ' THR . 51.9 t80 -53.58 -55.23 27.5 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.283 -0.886 . . . . 0.48999999999999999 109.607 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -51.44 -36.81 45.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.371 -0.83 . . . . 1.4399999999999999 109.78 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.7 ttp -62.67 -49.01 76.83 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.252 -0.905 . . . . 1.1899999999999999 110.123 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.44 ' HB2' HD11 ' D' ' 332' ' ' ILE . 21.1 m-85 -60.13 -53.45 57.6 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.13 -0.981 . . . . 0.57999999999999996 109.366 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . 0.453 ' HA ' HD12 ' B' ' 330' ' ' LEU . 28.1 ttp180 -50.94 -38.09 48.31 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.393 -0.817 . . . . 2.4100000000000001 109.771 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -60.2 -47.25 86.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.148 -0.97 . . . . 1.4399999999999999 109.985 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . 0.454 HD23 HD23 ' C' ' 344' ' ' LEU . 63.0 mt -60.94 -40.03 91.71 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.109 -0.995 . . . . 1.1000000000000001 109.205 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . 0.423 ' C ' ' OD1' ' D' ' 345' ' ' ASN . 45.3 t-20 -59.07 -52.05 67.42 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.32 -0.863 . . . . 1.5800000000000001 109.804 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . 0.43 ' HB3' ' NZ ' ' C' ' 351' ' ' LYS . 6.6 mt-10 -60.86 -32.72 72.13 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.215 -0.928 . . . . 1.77 109.568 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -61.19 -51.82 67.4 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.275 -0.891 . . . . 1.0800000000000001 109.592 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . 0.506 ' HB3' ' NH2' ' B' ' 337' ' ' ARG . 57.8 mt -61.64 -41.67 97.82 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.344 -0.848 . . . . 1.1799999999999999 109.562 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -60.13 -36.14 76.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.26 -0.9 . . . . 1.75 109.568 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' C' ' 351' ' ' LYS . 3.3 tp -64.86 -45.1 87.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.307 -0.871 . . . . 1.74 109.567 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . 0.454 ' NZ ' ' HB3' ' C' ' 346' ' ' GLU . 18.7 ttmt -61.78 -40.59 95.73 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.364 -0.835 . . . . 2.0800000000000001 109.0 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . 0.432 ' HA ' ' HB1' ' D' ' 355' ' ' ALA . 1.0 OUTLIER -59.25 -32.16 69.74 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.546 -0.721 . . . . 1.1699999999999999 109.644 179.673 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.36 -44.28 88.12 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.336 -0.853 . . . . 1.1399999999999999 109.394 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -82.68 -12.33 57.68 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.331 -0.856 . . . . 1.53 109.031 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . 0.432 ' HB1' ' HA ' ' D' ' 352' ' ' ASP . . . -75.24 -42.03 56.17 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.315 -0.866 . . . . 1.27 108.675 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.21 13.89 52.61 Favored Glycine 0 N--CA 1.487 2.082 0 N-CA-C 109.303 -1.519 . . . . 1.6899999999999999 109.303 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -82.94 115.56 21.85 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.265 -1.138 . . . . 4.4500000000000002 108.675 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.4 133.52 7.68 Favored Pre-proline 0 N--CA 1.488 1.456 0 O-C-N 121.418 -0.801 . . . . 5.8099999999999996 109.787 -179.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.89 -152.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.329 0 C-N-CA 122.051 1.834 . . . . 5.5300000000000002 109.917 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.477 -1.449 . . . . 6.9100000000000001 109.477 179.889 . . . . . . . . 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 . . . . . 0.484 ' O ' ' HB2' ' A' ' 320' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.481 -0.563 . . . . 7.72 109.481 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 320' ' ' LYS . . . . . 0.49 ' O ' ' O ' ' A' ' 321' ' ' LYS . 0.1 OUTLIER 70.61 0.12 3.15 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.621 -0.674 . . . . 6.91 110.384 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.49 ' O ' ' O ' ' A' ' 320' ' ' LYS . 0.0 OUTLIER 57.1 134.58 0.02 OUTLIER Pre-proline 0 N--CA 1.495 1.822 0 O-C-N 121.311 -0.868 . . . . 7.69 111.405 178.562 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -82.16 23.07 0.81 Allowed 'Trans proline' 0 C--N 1.317 -1.129 0 C-N-CA 122.713 2.275 . . . . 4.52 109.794 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 11.3 mt -81.81 41.04 0.63 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.031 -1.043 . . . . 4.64 111.382 -178.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -78.08 -139.39 0.02 OUTLIER 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.168 -1.049 . . . . 3.42 108.168 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 325' ' ' GLY . . . . . 0.421 ' H ' ' CZ ' ' C' ' 333' ' ' ARG . . . -68.05 156.35 52.85 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 108.82 -1.712 . . . . 1.11 108.82 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -56.41 143.26 35.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.008 -1.289 . . . . 1.81 109.135 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -91.31 152.47 20.46 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.292 -0.88 . . . . 0.82 109.384 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.596 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 86.9 m-85 -138.86 -168.97 2.52 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.294 -0.879 . . . . 0.55 109.523 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 329' ' ' THR . . . . . 0.472 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 11.7 p -153.34 158.95 42.3 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.325 -0.86 . . . . 0.34 109.203 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.9 tp -148.39 131.21 16.07 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.267 -0.896 . . . . 0.39 109.452 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -84.94 130.24 34.67 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.339 -0.85 . . . . 1.65 109.263 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.471 HD13 ' HB2' ' A' ' 341' ' ' PHE . 50.8 mt -123.52 112.05 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.225 -0.922 . . . . 0.33 109.437 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.427 ' CZ ' ' H ' ' C' ' 325' ' ' GLY . 0.0 OUTLIER -71.79 146.4 48.07 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.283 -0.886 . . . . 1.75 109.332 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.17 135.65 8.72 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.477 -1.449 . . . . 0.38 109.477 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.599 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 61.0 ttt180 -81.39 -53.19 6.52 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.267 -1.137 . . . . 2.83 109.625 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.85 -45.61 89.69 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.286 -0.884 . . . . 2.21 109.71 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.525 ' NH2' ' HB3' ' C' ' 348' ' ' LEU . 2.2 ttm180 -61.37 -41.37 96.98 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.27 -0.893 . . . . 2.11 109.936 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.478 ' CE1' ' O ' ' C' ' 329' ' ' THR . 51.4 t80 -53.62 -55.25 27.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.305 -0.872 . . . . 0.41 109.531 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -51.44 -36.74 45.31 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.296 -0.878 . . . . 1.43 109.812 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.8 ttp -62.73 -49.09 76.43 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.188 -0.945 . . . . 0.5 110.057 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.471 ' HB2' HD13 ' A' ' 332' ' ' ILE . 21.2 m-85 -60.0 -53.62 55.65 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.222 -0.924 . . . . 0.4 109.326 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -50.92 -38.05 47.79 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.382 -0.823 . . . . 2.03 109.762 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -60.2 -47.31 86.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.137 -0.977 . . . . 1.44 109.984 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.611 HD22 HD22 ' B' ' 344' ' ' LEU . 63.1 mt -60.85 -40.1 91.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.165 -0.96 . . . . 0.32 109.235 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 345' ' ' ASN . 45.3 t-20 -59.02 -52.1 67.22 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.358 -0.839 . . . . 1.58 109.778 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.44 ' HB3' ' NZ ' ' B' ' 351' ' ' LYS . 6.6 mt-10 -60.75 -32.86 72.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.255 -0.903 . . . . 1.77 109.485 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.673 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.19 -51.8 67.5 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.222 -0.924 . . . . 0.24 109.556 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.52 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 57.9 mt -61.67 -41.6 97.78 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.409 -0.807 . . . . 0.48 109.576 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -60.15 -36.15 76.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.23 -0.919 . . . . 1.76 109.598 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 1.036 HD23 HD23 ' B' ' 350' ' ' LEU . 3.2 tp -64.9 -45.1 87.33 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.245 -0.909 . . . . 1.13 109.578 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.481 ' NZ ' ' HB3' ' B' ' 346' ' ' GLU . 18.7 ttmt -61.81 -40.52 95.56 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.331 -0.856 . . . . 1.55 108.998 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -32.23 69.81 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.594 -0.691 . . . . 1.17 109.661 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.27 -44.28 88.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.333 -0.854 . . . . 0.61 109.406 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.591 ' OE1' HD21 ' B' ' 350' ' ' LEU . 37.1 mt-30 -82.7 -12.37 57.63 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.252 -0.905 . . . . 1.35 109.018 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.19 -42.08 56.51 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.675 -0.861 . . . . 1.13 108.675 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.2 13.85 52.75 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.325 -1.51 . . . . 1.6 109.325 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -82.92 115.61 21.85 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.216 -1.167 . . . . 4.12 108.755 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.39 133.38 7.69 Favored Pre-proline 0 N--CA 1.488 1.456 0 O-C-N 121.406 -0.809 . . . . 5.8 109.85 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.7 -152.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.3 0 C-N-CA 122.039 1.826 . . . . 5.04 109.957 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 CA-C-O 118.025 -1.43 . . . . 6.93 109.628 179.949 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 319' ' ' LYS . . . . . 0.48 ' O ' ' HB2' ' B' ' 320' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.458 -0.571 . . . . 7.71 109.458 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 320' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' B' ' 321' ' ' LYS . 0.1 OUTLIER 70.61 0.17 3.17 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.638 -0.664 . . . . 6.91 110.35 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 321' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' B' ' 320' ' ' LYS . 0.0 OUTLIER 57.06 134.62 0.02 OUTLIER Pre-proline 0 N--CA 1.496 1.857 0 O-C-N 121.283 -0.886 . . . . 7.67 111.356 178.512 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 322' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 321' ' ' LYS . 15.1 Cg_endo -82.1 22.93 0.82 Allowed 'Trans proline' 0 C--N 1.316 -1.147 0 C-N-CA 122.725 2.283 . . . . 4.53 109.882 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 11.2 mt -81.63 40.9 0.61 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.975 -1.078 . . . . 4.65 111.424 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.96 -139.55 0.02 OUTLIER 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.241 -1.022 . . . . 3.41 108.241 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 325' ' ' GLY . . . . . 0.411 ' H ' ' CZ ' ' D' ' 333' ' ' ARG . . . -67.8 156.36 52.65 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 108.833 -1.707 . . . . 1.11 108.833 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.46 143.32 35.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.062 -1.257 . . . . 1.79 109.23 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -91.37 152.51 20.4 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.137 -0.977 . . . . 0.82 109.319 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.602 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 87.2 m-85 -138.88 -168.93 2.52 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.267 -0.896 . . . . 0.54 109.489 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 329' ' ' THR . . . . . 0.481 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 12.0 p -153.43 158.85 42.03 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.3 -0.875 . . . . 0.33 109.289 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.9 tp -148.32 131.26 16.19 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.241 -0.912 . . . . 0.39 109.464 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -84.93 130.33 34.66 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.381 -0.825 . . . . 1.63 109.249 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.472 HD13 ' HB2' ' B' ' 341' ' ' PHE . 51.5 mt -123.59 112.05 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.194 -0.941 . . . . 0.33 109.385 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.42 ' CZ ' ' H ' ' D' ' 325' ' ' GLY . 0.0 OUTLIER -71.83 146.44 47.98 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.376 -0.828 . . . . 1.77 109.336 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.09 135.71 8.74 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.509 -1.436 . . . . 0.37 109.509 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.596 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 60.9 ttt180 -81.36 -53.27 6.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.338 -1.095 . . . . 2.78 109.626 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.86 -45.48 90.0 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.389 -0.819 . . . . 2.18 109.759 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.52 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 2.2 ttm180 -61.5 -41.33 97.12 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.263 -0.898 . . . . 2.1 109.885 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.472 ' CE1' ' O ' ' D' ' 329' ' ' THR . 51.6 t80 -53.59 -55.24 27.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.345 -0.847 . . . . 0.39 109.599 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -51.39 -36.76 44.9 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.366 -0.834 . . . . 1.41 109.795 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.8 ttp -62.78 -49.0 76.72 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.289 -0.882 . . . . 0.5 110.101 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.472 ' HB2' HD13 ' B' ' 332' ' ' ILE . 21.0 m-85 -60.06 -53.58 56.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.227 -0.92 . . . . 0.41 109.333 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 28.1 ttp180 -50.88 -38.1 47.54 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.376 -0.827 . . . . 2.0 109.822 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -60.18 -47.31 86.48 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.142 -0.973 . . . . 1.45 109.981 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.611 HD22 HD22 ' A' ' 344' ' ' LEU . 63.3 mt -60.81 -40.1 91.45 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.074 -1.016 . . . . 0.33 109.269 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.412 ' OD1' ' C ' ' B' ' 345' ' ' ASN . 45.3 t-20 -59.08 -52.02 67.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.393 -0.817 . . . . 1.58 109.799 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.481 ' HB3' ' NZ ' ' A' ' 351' ' ' LYS . 6.6 mt-10 -60.9 -32.65 72.11 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.334 -0.853 . . . . 1.76 109.583 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.673 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.29 -51.64 68.04 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.26 -0.9 . . . . 0.23 109.59 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.527 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 57.6 mt -61.78 -41.59 97.91 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.342 -0.849 . . . . 0.48 109.591 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -60.14 -36.11 76.8 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.324 -0.86 . . . . 1.76 109.609 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 1.036 HD23 HD23 ' A' ' 350' ' ' LEU . 3.3 tp -65.0 -45.04 87.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.315 -0.866 . . . . 1.13 109.495 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.44 ' NZ ' ' HB3' ' A' ' 346' ' ' GLU . 18.7 ttmt -61.84 -40.57 95.78 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.259 -0.9 . . . . 1.59 108.927 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.22 -32.23 69.76 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.634 -0.666 . . . . 1.18 109.592 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.32 88.19 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.333 -0.854 . . . . 0.61 109.391 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.602 ' OE1' HD21 ' A' ' 350' ' ' LEU . 37.0 mt-30 -82.6 -12.49 57.66 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.241 -0.912 . . . . 1.32 109.006 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.2 -42.14 56.31 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.55 -0.907 . . . . 1.11 108.55 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.21 13.91 52.48 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 109.365 -1.494 . . . . 1.6 109.365 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -82.93 115.59 21.85 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.159 -1.201 . . . . 4.13 108.772 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.36 133.43 7.62 Favored Pre-proline 0 N--CA 1.488 1.474 0 O-C-N 121.365 -0.834 . . . . 5.82 109.774 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.77 -152.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 122.002 1.801 . . . . 5.03 109.945 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 N-CA-C 109.512 -1.435 . . . . 6.92 109.512 179.92 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 319' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' C' ' 320' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.413 -0.588 . . . . 7.7 109.413 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 320' ' ' LYS . . . . . 0.505 ' HB2' ' O ' ' C' ' 319' ' ' LYS . 0.1 OUTLIER 70.6 0.14 3.16 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.518 -0.739 . . . . 6.92 110.298 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 321' ' ' LYS . . . . . 0.49 ' O ' ' O ' ' C' ' 320' ' ' LYS . 0.0 OUTLIER 57.2 134.57 0.02 OUTLIER Pre-proline 0 N--CA 1.497 1.906 0 O-C-N 121.237 -0.914 . . . . 7.66 111.314 178.435 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 322' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' C' ' 321' ' ' LYS . 14.5 Cg_endo -82.22 23.04 0.81 Allowed 'Trans proline' 0 C--N 1.315 -1.189 0 C-N-CA 122.621 2.214 . . . . 4.51 109.792 178.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 11.2 mt -81.62 40.99 0.61 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.028 -1.045 . . . . 4.64 111.457 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.96 -139.42 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.046 -1.034 . . . . 3.42 108.24 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 325' ' ' GLY . . . . . 0.427 ' H ' ' CZ ' ' A' ' 333' ' ' ARG . . . -67.96 156.39 52.77 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 108.832 -1.707 . . . . 1.11 108.832 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.46 143.31 35.48 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.037 -1.272 . . . . 1.79 109.18 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -91.3 152.52 20.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.253 -0.904 . . . . 0.83 109.359 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.599 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 87.1 m-85 -138.93 -168.93 2.52 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.315 -0.865 . . . . 0.54 109.555 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 329' ' ' THR . . . . . 0.478 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 11.6 p -153.44 158.91 42.09 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.32 -0.862 . . . . 0.33 109.194 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.9 tp -148.34 131.31 16.21 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.191 -0.943 . . . . 0.39 109.406 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -85.03 130.29 34.65 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.238 -0.914 . . . . 1.64 109.171 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.462 HD13 ' HB2' ' C' ' 341' ' ' PHE . 51.4 mt -123.51 112.07 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.21 -0.931 . . . . 0.33 109.393 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.421 ' CZ ' ' H ' ' A' ' 325' ' ' GLY . 0.0 OUTLIER -71.86 146.46 47.91 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.265 -0.897 . . . . 1.76 109.332 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.13 135.67 8.72 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.461 -1.456 . . . . 0.37 109.461 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 335' ' ' ARG . . . . . 0.596 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 60.8 ttt180 -81.33 -53.32 6.43 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.24 -1.153 . . . . 2.77 109.581 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.78 -45.56 89.54 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.395 -0.816 . . . . 2.18 109.713 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.52 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 2.2 ttm180 -61.5 -41.39 97.21 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.283 -0.885 . . . . 2.12 109.872 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.472 ' CE1' ' O ' ' A' ' 329' ' ' THR . 51.8 t80 -53.49 -55.27 26.74 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.309 -0.869 . . . . 0.4 109.678 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -51.4 -36.74 44.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.306 -0.871 . . . . 1.42 109.767 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.9 ttp -62.82 -48.96 76.84 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.208 -0.932 . . . . 0.48 110.033 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.462 ' HB2' HD13 ' C' ' 332' ' ' ILE . 20.9 m-85 -60.17 -53.51 56.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.23 -0.919 . . . . 0.4 109.301 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 28.1 ttp180 -50.97 -38.03 48.31 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.454 -0.779 . . . . 2.0 109.748 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.2 -47.31 86.49 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.116 -0.99 . . . . 1.44 110.01 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.638 HD22 HD22 ' D' ' 344' ' ' LEU . 62.9 mt -60.89 -40.04 91.52 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.12 -0.987 . . . . 0.33 109.192 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.432 ' C ' ' OD1' ' C' ' 345' ' ' ASN . 45.4 t-20 -59.07 -52.08 67.3 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.394 -0.816 . . . . 1.58 109.816 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.481 ' HB3' ' NZ ' ' D' ' 351' ' ' LYS . 6.6 mt-10 -60.88 -32.72 72.15 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.244 -0.91 . . . . 1.76 109.494 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.704 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.26 -51.7 67.83 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.229 -0.919 . . . . 0.24 109.589 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.525 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 57.7 mt -61.68 -41.72 97.96 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.327 -0.858 . . . . 0.49 109.503 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -60.14 -36.17 76.92 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.359 -0.838 . . . . 1.76 109.559 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 1.089 HD23 HD23 ' D' ' 350' ' ' LEU . 3.2 tp -64.77 -45.16 87.56 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.251 -0.906 . . . . 1.12 109.552 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.457 ' NZ ' ' HB3' ' D' ' 346' ' ' GLU . 18.7 ttmt -61.85 -40.54 95.69 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.361 -0.837 . . . . 1.59 108.938 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.31 -32.17 69.81 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.512 -0.742 . . . . 1.17 109.673 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.26 88.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.273 -0.892 . . . . 0.61 109.425 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 354' ' ' GLN . . . . . 0.6 ' OE1' HD21 ' D' ' 350' ' ' LEU . 37.1 mt-30 -82.76 -12.37 57.57 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.257 -0.902 . . . . 1.3 109.003 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.26 -41.96 56.14 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.653 -0.869 . . . . 1.11 108.653 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.28 13.85 53.02 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 109.322 -1.511 . . . . 1.59 109.322 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -82.89 115.51 21.79 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.136 -1.214 . . . . 4.1 108.736 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.33 133.47 7.56 Favored Pre-proline 0 N--CA 1.488 1.472 0 O-C-N 121.35 -0.844 . . . . 5.83 109.811 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.86 -152.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 122.023 1.815 . . . . 5.04 110.002 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 CA-C-O 118.02 -1.434 . . . . 6.92 109.636 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 319' ' ' LYS . . . . . 0.497 ' O ' ' HB2' ' D' ' 320' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.484 -0.561 . . . . 7.7 109.484 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 320' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' D' ' 319' ' ' LYS . 0.1 OUTLIER 70.67 0.14 3.18 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.599 -0.688 . . . . 6.93 110.351 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 321' ' ' LYS . . . . . 0.495 ' O ' ' O ' ' D' ' 320' ' ' LYS . 0.0 OUTLIER 57.14 134.48 0.02 OUTLIER Pre-proline 0 N--CA 1.496 1.858 0 O-C-N 121.366 -0.834 . . . . 7.67 111.421 178.484 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' D' ' 321' ' ' LYS . 14.6 Cg_endo -82.13 22.97 0.81 Allowed 'Trans proline' 0 C--N 1.317 -1.131 0 C-N-CA 122.705 2.27 . . . . 4.52 109.808 178.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 11.2 mt -81.61 40.92 0.61 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.085 -1.009 . . . . 4.65 111.45 -178.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.95 -139.39 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.243 -1.021 . . . . 3.43 108.243 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 325' ' ' GLY . . . . . 0.42 ' H ' ' CZ ' ' B' ' 333' ' ' ARG . . . -68.07 156.41 52.85 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 108.78 -1.728 . . . . 1.11 108.78 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.49 143.31 35.65 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.055 -1.262 . . . . 1.81 109.158 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -91.26 152.46 20.49 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.182 -0.949 . . . . 0.83 109.399 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.596 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 87.3 m-85 -138.9 -168.96 2.53 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.283 -0.885 . . . . 0.54 109.504 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 329' ' ' THR . . . . . 0.472 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 11.8 p -153.36 158.95 42.28 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.357 -0.839 . . . . 0.34 109.169 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.9 tp -148.36 131.38 16.27 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.24 -0.912 . . . . 0.39 109.445 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -85.09 130.29 34.64 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.322 -0.861 . . . . 1.65 109.216 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.459 HD13 ' HB2' ' D' ' 341' ' ' PHE . 51.3 mt -123.56 112.09 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.205 -0.934 . . . . 0.33 109.394 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.411 ' CZ ' ' H ' ' B' ' 325' ' ' GLY . 0.0 OUTLIER -71.82 146.45 47.99 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.329 -0.857 . . . . 1.75 109.281 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.05 135.67 8.72 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.484 -1.447 . . . . 0.38 109.484 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 335' ' ' ARG . . . . . 0.602 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 60.8 ttt180 -81.34 -53.23 6.5 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.281 -1.129 . . . . 2.83 109.654 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.89 -45.48 90.16 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.277 -0.889 . . . . 2.21 109.738 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.527 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 2.2 ttm180 -61.55 -41.29 97.14 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.273 -0.892 . . . . 2.11 109.904 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.481 ' CE1' ' O ' ' B' ' 329' ' ' THR . 51.9 t80 -53.58 -55.23 27.5 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.283 -0.886 . . . . 0.41 109.607 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -51.44 -36.81 45.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.371 -0.83 . . . . 1.44 109.78 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.7 ttp -62.67 -49.01 76.83 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.252 -0.905 . . . . 0.5 110.123 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.459 ' HB2' HD13 ' D' ' 332' ' ' ILE . 21.1 m-85 -60.13 -53.45 57.6 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.13 -0.981 . . . . 0.4 109.366 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 28.1 ttp180 -50.94 -38.09 48.31 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.393 -0.817 . . . . 2.04 109.771 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -60.2 -47.25 86.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.148 -0.97 . . . . 1.44 109.985 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.638 HD22 HD22 ' C' ' 344' ' ' LEU . 63.0 mt -60.94 -40.03 91.71 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.109 -0.995 . . . . 0.32 109.205 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.423 ' C ' ' OD1' ' D' ' 345' ' ' ASN . 45.3 t-20 -59.07 -52.05 67.42 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.32 -0.863 . . . . 1.58 109.804 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.457 ' HB3' ' NZ ' ' C' ' 351' ' ' LYS . 6.6 mt-10 -60.86 -32.72 72.13 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.215 -0.928 . . . . 1.77 109.568 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.704 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.19 -51.82 67.4 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.275 -0.891 . . . . 0.24 109.592 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.52 ' HB3' ' NH2' ' B' ' 337' ' ' ARG . 57.8 mt -61.64 -41.67 97.82 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.344 -0.848 . . . . 0.48 109.562 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -60.13 -36.14 76.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.26 -0.9 . . . . 1.75 109.568 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 1.089 HD23 HD23 ' C' ' 350' ' ' LEU . 3.3 tp -64.86 -45.1 87.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.307 -0.871 . . . . 1.12 109.567 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.481 ' NZ ' ' HB3' ' C' ' 346' ' ' GLU . 18.7 ttmt -61.78 -40.59 95.73 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.364 -0.835 . . . . 1.56 109.0 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -32.16 69.74 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.546 -0.721 . . . . 1.17 109.644 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.36 -44.28 88.12 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.336 -0.853 . . . . 0.6 109.394 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.581 ' OE1' HD21 ' C' ' 350' ' ' LEU . 37.0 mt-30 -82.68 -12.33 57.68 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.331 -0.856 . . . . 1.36 109.031 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.24 -42.03 56.17 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.315 -0.866 . . . . 1.11 108.675 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.21 13.89 52.61 Favored Glycine 0 N--CA 1.487 2.082 0 N-CA-C 109.303 -1.519 . . . . 1.59 109.303 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -82.94 115.56 21.85 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.265 -1.138 . . . . 4.11 108.675 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.4 133.52 7.68 Favored Pre-proline 0 N--CA 1.488 1.456 0 O-C-N 121.418 -0.801 . . . . 5.81 109.787 -179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.89 -152.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.329 0 C-N-CA 122.051 1.834 . . . . 5.03 109.917 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.477 -1.449 . . . . 6.91 109.477 179.889 . . . . . . . . 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 . . . . . 0.484 ' O ' ' HB2' ' A' ' 320' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.481 -0.563 . . . . 7.72 109.481 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 320' ' ' LYS . . . . . 0.49 ' O ' ' O ' ' A' ' 321' ' ' LYS . 0.1 OUTLIER 70.61 0.12 3.15 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.621 -0.674 . . . . 6.91 110.384 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.49 ' O ' ' O ' ' A' ' 320' ' ' LYS . 0.0 OUTLIER 57.1 134.58 0.02 OUTLIER Pre-proline 0 N--CA 1.495 1.822 0 O-C-N 121.311 -0.868 . . . . 7.69 111.405 178.562 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 322' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -82.16 23.07 0.81 Allowed 'Trans proline' 0 C--N 1.317 -1.129 0 C-N-CA 122.713 2.275 . . . . 4.52 109.794 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 11.3 mt -81.81 41.04 0.63 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.031 -1.043 . . . . 4.64 111.382 -178.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -78.08 -139.39 0.02 OUTLIER 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.168 -1.049 . . . . 3.42 108.168 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 325' ' ' GLY . . . . . 0.421 ' H ' ' CZ ' ' C' ' 333' ' ' ARG . . . -68.05 156.35 52.85 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 108.82 -1.712 . . . . 1.11 108.82 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -56.41 143.26 35.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.008 -1.289 . . . . 1.81 109.135 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -91.31 152.47 20.46 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.292 -0.88 . . . . 0.82 109.384 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.596 ' CE2' ' HA ' ' C' ' 335' ' ' ARG . 86.9 m-85 -138.86 -168.97 2.52 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.294 -0.879 . . . . 0.55 109.523 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 329' ' ' THR . . . . . 0.472 ' O ' ' CE1' ' C' ' 338' ' ' PHE . 11.7 p -153.34 158.95 42.3 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.325 -0.86 . . . . 0.34 109.203 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.9 tp -148.39 131.21 16.07 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.267 -0.896 . . . . 0.39 109.452 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -84.94 130.24 34.67 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.339 -0.85 . . . . 1.65 109.263 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.471 HD13 ' HB2' ' A' ' 341' ' ' PHE . 50.8 mt -123.52 112.05 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.225 -0.922 . . . . 0.33 109.437 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.427 ' CZ ' ' H ' ' C' ' 325' ' ' GLY . 0.0 OUTLIER -71.79 146.4 48.07 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.283 -0.886 . . . . 1.75 109.332 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.17 135.65 8.72 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.477 -1.449 . . . . 0.38 109.477 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.599 ' HA ' ' CE2' ' C' ' 328' ' ' PHE . 61.0 ttt180 -81.39 -53.19 6.52 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.267 -1.137 . . . . 2.83 109.625 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.85 -45.61 89.69 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.286 -0.884 . . . . 2.21 109.71 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.525 ' NH2' ' HB3' ' C' ' 348' ' ' LEU . 2.2 ttm180 -61.37 -41.37 96.98 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.27 -0.893 . . . . 2.11 109.936 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.478 ' CE1' ' O ' ' C' ' 329' ' ' THR . 51.4 t80 -53.62 -55.25 27.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.305 -0.872 . . . . 0.41 109.531 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -51.44 -36.74 45.31 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.296 -0.878 . . . . 1.43 109.812 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.8 ttp -62.73 -49.09 76.43 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.188 -0.945 . . . . 0.5 110.057 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.471 ' HB2' HD13 ' A' ' 332' ' ' ILE . 21.2 m-85 -60.0 -53.62 55.65 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.222 -0.924 . . . . 0.4 109.326 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -50.92 -38.05 47.79 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.382 -0.823 . . . . 2.03 109.762 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -60.2 -47.31 86.48 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.137 -0.977 . . . . 1.44 109.984 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.611 HD22 HD22 ' B' ' 344' ' ' LEU . 63.1 mt -60.85 -40.1 91.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.165 -0.96 . . . . 0.32 109.235 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 345' ' ' ASN . 45.3 t-20 -59.02 -52.1 67.22 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.358 -0.839 . . . . 1.58 109.778 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.44 ' HB3' ' NZ ' ' B' ' 351' ' ' LYS . 6.6 mt-10 -60.75 -32.86 72.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.255 -0.903 . . . . 1.77 109.485 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.673 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -61.19 -51.8 67.5 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.222 -0.924 . . . . 0.24 109.556 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.52 ' HB3' ' NH2' ' C' ' 337' ' ' ARG . 57.9 mt -61.67 -41.6 97.78 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.409 -0.807 . . . . 0.48 109.576 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -60.15 -36.15 76.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.23 -0.919 . . . . 1.76 109.598 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 1.036 HD23 HD23 ' B' ' 350' ' ' LEU . 3.2 tp -64.9 -45.1 87.33 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.245 -0.909 . . . . 1.13 109.578 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.481 ' NZ ' ' HB3' ' B' ' 346' ' ' GLU . 18.7 ttmt -61.81 -40.52 95.56 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.331 -0.856 . . . . 1.55 108.998 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -32.23 69.81 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.594 -0.691 . . . . 1.17 109.661 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.27 -44.28 88.54 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.333 -0.854 . . . . 0.61 109.406 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.751 HE21 HD21 ' B' ' 350' ' ' LEU . 6.9 mt-30 -82.7 -12.37 57.63 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.252 -0.905 . . . . 1.35 109.018 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.19 -42.08 56.51 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.675 -0.861 . . . . 1.13 108.675 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.2 13.85 52.75 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.325 -1.51 . . . . 1.6 109.325 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 357' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -82.92 115.61 21.85 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.216 -1.167 . . . . 4.12 108.755 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 358' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.39 133.38 7.69 Favored Pre-proline 0 N--CA 1.488 1.456 0 O-C-N 121.406 -0.809 . . . . 5.8 109.85 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.7 -152.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.3 0 C-N-CA 122.039 1.826 . . . . 5.04 109.957 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 CA-C-O 118.025 -1.43 . . . . 6.93 109.628 179.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 319' ' ' LYS . . . . . 0.48 ' O ' ' HB2' ' B' ' 320' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.458 -0.571 . . . . 7.71 109.458 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' B' ' 321' ' ' LYS . 0.1 OUTLIER 70.61 0.17 3.17 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.638 -0.664 . . . . 6.91 110.35 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 321' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' B' ' 320' ' ' LYS . 0.0 OUTLIER 57.06 134.62 0.02 OUTLIER Pre-proline 0 N--CA 1.496 1.857 0 O-C-N 121.283 -0.886 . . . . 7.67 111.356 178.512 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 322' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' B' ' 321' ' ' LYS . 15.1 Cg_endo -82.1 22.93 0.82 Allowed 'Trans proline' 0 C--N 1.316 -1.147 0 C-N-CA 122.725 2.283 . . . . 4.53 109.882 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 323' ' ' LEU . . . . . . . . . . . . . 11.2 mt -81.63 40.9 0.61 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.975 -1.078 . . . . 4.65 111.424 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 324' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.96 -139.55 0.02 OUTLIER 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.241 -1.022 . . . . 3.41 108.241 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 325' ' ' GLY . . . . . 0.411 ' H ' ' CZ ' ' D' ' 333' ' ' ARG . . . -67.8 156.36 52.65 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 108.833 -1.707 . . . . 1.11 108.833 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.46 143.32 35.42 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.062 -1.257 . . . . 1.79 109.23 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -91.37 152.51 20.4 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.137 -0.977 . . . . 0.82 109.319 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.602 ' CE2' ' HA ' ' D' ' 335' ' ' ARG . 87.2 m-85 -138.88 -168.93 2.52 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.267 -0.896 . . . . 0.54 109.489 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . 0.481 ' O ' ' CE1' ' D' ' 338' ' ' PHE . 12.0 p -153.43 158.85 42.03 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.3 -0.875 . . . . 0.33 109.289 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.9 tp -148.32 131.26 16.19 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.241 -0.912 . . . . 0.39 109.464 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 331' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -84.93 130.33 34.66 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.381 -0.825 . . . . 1.63 109.249 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.472 HD13 ' HB2' ' B' ' 341' ' ' PHE . 51.5 mt -123.59 112.05 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.194 -0.941 . . . . 0.33 109.385 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.42 ' CZ ' ' H ' ' D' ' 325' ' ' GLY . 0.0 OUTLIER -71.83 146.44 47.98 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.376 -0.828 . . . . 1.77 109.336 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.09 135.71 8.74 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.509 -1.436 . . . . 0.37 109.509 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.596 ' HA ' ' CE2' ' D' ' 328' ' ' PHE . 60.9 ttt180 -81.36 -53.27 6.46 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.338 -1.095 . . . . 2.78 109.626 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.86 -45.48 90.0 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.389 -0.819 . . . . 2.18 109.759 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.52 ' NH2' ' HB3' ' D' ' 348' ' ' LEU . 2.2 ttm180 -61.5 -41.33 97.12 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.263 -0.898 . . . . 2.1 109.885 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.472 ' CE1' ' O ' ' D' ' 329' ' ' THR . 51.6 t80 -53.59 -55.24 27.39 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.345 -0.847 . . . . 0.39 109.599 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -51.39 -36.76 44.9 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.366 -0.834 . . . . 1.41 109.795 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 13.8 ttp -62.78 -49.0 76.72 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.289 -0.882 . . . . 0.5 110.101 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.472 ' HB2' HD13 ' B' ' 332' ' ' ILE . 21.0 m-85 -60.06 -53.58 56.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.227 -0.92 . . . . 0.41 109.333 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 28.1 ttp180 -50.88 -38.1 47.54 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.376 -0.827 . . . . 2.0 109.822 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -60.18 -47.31 86.48 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.142 -0.973 . . . . 1.45 109.981 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.611 HD22 HD22 ' A' ' 344' ' ' LEU . 63.3 mt -60.81 -40.1 91.45 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.074 -1.016 . . . . 0.33 109.269 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.412 ' OD1' ' C ' ' B' ' 345' ' ' ASN . 45.3 t-20 -59.08 -52.02 67.52 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.393 -0.817 . . . . 1.58 109.799 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.481 ' HB3' ' NZ ' ' A' ' 351' ' ' LYS . 6.6 mt-10 -60.9 -32.65 72.11 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.334 -0.853 . . . . 1.76 109.583 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.673 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -61.29 -51.64 68.04 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.26 -0.9 . . . . 0.23 109.59 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.527 ' HB3' ' NH2' ' D' ' 337' ' ' ARG . 57.6 mt -61.78 -41.59 97.91 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.342 -0.849 . . . . 0.48 109.591 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -60.14 -36.11 76.8 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.324 -0.86 . . . . 1.76 109.609 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 1.036 HD23 HD23 ' A' ' 350' ' ' LEU . 3.3 tp -65.0 -45.04 87.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.315 -0.866 . . . . 1.13 109.495 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.44 ' NZ ' ' HB3' ' A' ' 346' ' ' GLU . 18.7 ttmt -61.84 -40.57 95.78 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.259 -0.9 . . . . 1.59 108.927 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.22 -32.23 69.76 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.634 -0.666 . . . . 1.18 109.592 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.32 88.19 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.333 -0.854 . . . . 0.61 109.391 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.758 HE21 HD21 ' A' ' 350' ' ' LEU . 6.8 mt-30 -82.6 -12.49 57.66 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.241 -0.912 . . . . 1.32 109.006 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.2 -42.14 56.31 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.55 -0.907 . . . . 1.11 108.55 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.21 13.91 52.48 Favored Glycine 0 N--CA 1.488 2.136 0 N-CA-C 109.365 -1.494 . . . . 1.6 109.365 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -82.93 115.59 21.85 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.159 -1.201 . . . . 4.13 108.772 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 358' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.36 133.43 7.62 Favored Pre-proline 0 N--CA 1.488 1.474 0 O-C-N 121.365 -0.834 . . . . 5.82 109.774 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.77 -152.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.317 0 C-N-CA 122.002 1.801 . . . . 5.03 109.945 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 N-CA-C 109.512 -1.435 . . . . 6.92 109.512 179.92 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 319' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' C' ' 320' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.413 -0.588 . . . . 7.7 109.413 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 320' ' ' LYS . . . . . 0.505 ' HB2' ' O ' ' C' ' 319' ' ' LYS . 0.1 OUTLIER 70.6 0.14 3.16 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.518 -0.739 . . . . 6.92 110.298 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 321' ' ' LYS . . . . . 0.49 ' O ' ' O ' ' C' ' 320' ' ' LYS . 0.0 OUTLIER 57.2 134.57 0.02 OUTLIER Pre-proline 0 N--CA 1.497 1.906 0 O-C-N 121.237 -0.914 . . . . 7.66 111.314 178.435 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 322' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' C' ' 321' ' ' LYS . 14.5 Cg_endo -82.22 23.04 0.81 Allowed 'Trans proline' 0 C--N 1.315 -1.189 0 C-N-CA 122.621 2.214 . . . . 4.51 109.792 178.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 11.2 mt -81.62 40.99 0.61 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.028 -1.045 . . . . 4.64 111.457 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 324' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.96 -139.42 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.046 -1.034 . . . . 3.42 108.24 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 325' ' ' GLY . . . . . 0.427 ' H ' ' CZ ' ' A' ' 333' ' ' ARG . . . -67.96 156.39 52.77 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 108.832 -1.707 . . . . 1.11 108.832 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.46 143.31 35.48 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.037 -1.272 . . . . 1.79 109.18 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -91.3 152.52 20.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.253 -0.904 . . . . 0.83 109.359 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.599 ' CE2' ' HA ' ' A' ' 335' ' ' ARG . 87.1 m-85 -138.93 -168.93 2.52 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.315 -0.865 . . . . 0.54 109.555 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 329' ' ' THR . . . . . 0.478 ' O ' ' CE1' ' A' ' 338' ' ' PHE . 11.6 p -153.44 158.91 42.09 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.32 -0.862 . . . . 0.33 109.194 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.9 tp -148.34 131.31 16.21 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.191 -0.943 . . . . 0.39 109.406 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 331' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -85.03 130.29 34.65 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.238 -0.914 . . . . 1.64 109.171 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.462 HD13 ' HB2' ' C' ' 341' ' ' PHE . 51.4 mt -123.51 112.07 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.21 -0.931 . . . . 0.33 109.393 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.421 ' CZ ' ' H ' ' A' ' 325' ' ' GLY . 0.0 OUTLIER -71.86 146.46 47.91 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.265 -0.897 . . . . 1.76 109.332 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.13 135.67 8.72 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.461 -1.456 . . . . 0.37 109.461 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . 0.596 ' HA ' ' CE2' ' A' ' 328' ' ' PHE . 60.8 ttt180 -81.33 -53.32 6.43 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.24 -1.153 . . . . 2.77 109.581 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.78 -45.56 89.54 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.395 -0.816 . . . . 2.18 109.713 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.52 ' NH2' ' HB3' ' A' ' 348' ' ' LEU . 2.2 ttm180 -61.5 -41.39 97.21 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.283 -0.885 . . . . 2.12 109.872 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.472 ' CE1' ' O ' ' A' ' 329' ' ' THR . 51.8 t80 -53.49 -55.27 26.74 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.309 -0.869 . . . . 0.4 109.678 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -51.4 -36.74 44.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.306 -0.871 . . . . 1.42 109.767 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 13.9 ttp -62.82 -48.96 76.84 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.208 -0.932 . . . . 0.48 110.033 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.462 ' HB2' HD13 ' C' ' 332' ' ' ILE . 20.9 m-85 -60.17 -53.51 56.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.23 -0.919 . . . . 0.4 109.301 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 28.1 ttp180 -50.97 -38.03 48.31 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.454 -0.779 . . . . 2.0 109.748 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.2 -47.31 86.49 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.116 -0.99 . . . . 1.44 110.01 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.638 HD22 HD22 ' D' ' 344' ' ' LEU . 62.9 mt -60.89 -40.04 91.52 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.12 -0.987 . . . . 0.33 109.192 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.432 ' C ' ' OD1' ' C' ' 345' ' ' ASN . 45.4 t-20 -59.07 -52.08 67.3 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.394 -0.816 . . . . 1.58 109.816 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.481 ' HB3' ' NZ ' ' D' ' 351' ' ' LYS . 6.6 mt-10 -60.88 -32.72 72.15 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.244 -0.91 . . . . 1.76 109.494 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.704 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -61.26 -51.7 67.83 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.229 -0.919 . . . . 0.24 109.589 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.525 ' HB3' ' NH2' ' A' ' 337' ' ' ARG . 57.7 mt -61.68 -41.72 97.96 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.327 -0.858 . . . . 0.49 109.503 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -60.14 -36.17 76.92 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.359 -0.838 . . . . 1.76 109.559 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 1.089 HD23 HD23 ' D' ' 350' ' ' LEU . 3.2 tp -64.77 -45.16 87.56 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.251 -0.906 . . . . 1.12 109.552 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.457 ' NZ ' ' HB3' ' D' ' 346' ' ' GLU . 18.7 ttmt -61.85 -40.54 95.69 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.361 -0.837 . . . . 1.59 108.938 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.31 -32.17 69.81 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.512 -0.742 . . . . 1.17 109.673 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.26 88.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.273 -0.892 . . . . 0.61 109.425 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . 0.77 HE21 HD21 ' D' ' 350' ' ' LEU . 6.9 mt-30 -82.76 -12.37 57.57 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.257 -0.902 . . . . 1.3 109.003 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.26 -41.96 56.14 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.653 -0.869 . . . . 1.11 108.653 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.28 13.85 53.02 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 109.322 -1.511 . . . . 1.59 109.322 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 357' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -82.89 115.51 21.79 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.136 -1.214 . . . . 4.1 108.736 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 358' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.33 133.47 7.56 Favored Pre-proline 0 N--CA 1.488 1.472 0 O-C-N 121.35 -0.844 . . . . 5.83 109.811 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.86 -152.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 122.023 1.815 . . . . 5.04 110.002 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 CA-C-O 118.02 -1.434 . . . . 6.92 109.636 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 319' ' ' LYS . . . . . 0.497 ' O ' ' HB2' ' D' ' 320' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.484 -0.561 . . . . 7.7 109.484 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 320' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' D' ' 319' ' ' LYS . 0.1 OUTLIER 70.67 0.14 3.18 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.599 -0.688 . . . . 6.93 110.351 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 321' ' ' LYS . . . . . 0.495 ' O ' ' O ' ' D' ' 320' ' ' LYS . 0.0 OUTLIER 57.14 134.48 0.02 OUTLIER Pre-proline 0 N--CA 1.496 1.858 0 O-C-N 121.366 -0.834 . . . . 7.67 111.421 178.484 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' D' ' 321' ' ' LYS . 14.6 Cg_endo -82.13 22.97 0.81 Allowed 'Trans proline' 0 C--N 1.317 -1.131 0 C-N-CA 122.705 2.27 . . . . 4.52 109.808 178.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 323' ' ' LEU . . . . . . . . . . . . . 11.2 mt -81.61 40.92 0.61 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.085 -1.009 . . . . 4.65 111.45 -178.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 324' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.95 -139.39 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.243 -1.021 . . . . 3.43 108.243 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 325' ' ' GLY . . . . . 0.42 ' H ' ' CZ ' ' B' ' 333' ' ' ARG . . . -68.07 156.41 52.85 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 108.78 -1.728 . . . . 1.11 108.78 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.49 143.31 35.65 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.055 -1.262 . . . . 1.81 109.158 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -91.26 152.46 20.49 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.182 -0.949 . . . . 0.83 109.399 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.596 ' CE2' ' HA ' ' B' ' 335' ' ' ARG . 87.3 m-85 -138.9 -168.96 2.53 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.283 -0.885 . . . . 0.54 109.504 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 329' ' ' THR . . . . . 0.472 ' O ' ' CE1' ' B' ' 338' ' ' PHE . 11.8 p -153.36 158.95 42.28 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.357 -0.839 . . . . 0.34 109.169 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.9 tp -148.36 131.38 16.27 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.24 -0.912 . . . . 0.39 109.445 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 331' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -85.09 130.29 34.64 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.322 -0.861 . . . . 1.65 109.216 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.459 HD13 ' HB2' ' D' ' 341' ' ' PHE . 51.3 mt -123.56 112.09 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.205 -0.934 . . . . 0.33 109.394 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.411 ' CZ ' ' H ' ' B' ' 325' ' ' GLY . 0.0 OUTLIER -71.82 146.45 47.99 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.329 -0.857 . . . . 1.75 109.281 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 97.05 135.67 8.72 Favored Glycine 0 N--CA 1.49 2.238 0 N-CA-C 109.484 -1.447 . . . . 0.38 109.484 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . 0.602 ' HA ' ' CE2' ' B' ' 328' ' ' PHE . 60.8 ttt180 -81.34 -53.23 6.5 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.281 -1.129 . . . . 2.83 109.654 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.89 -45.48 90.16 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.277 -0.889 . . . . 2.21 109.738 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.527 ' NH2' ' HB3' ' B' ' 348' ' ' LEU . 2.2 ttm180 -61.55 -41.29 97.14 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.273 -0.892 . . . . 2.11 109.904 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.481 ' CE1' ' O ' ' B' ' 329' ' ' THR . 51.9 t80 -53.58 -55.23 27.5 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.283 -0.886 . . . . 0.41 109.607 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -51.44 -36.81 45.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.371 -0.83 . . . . 1.44 109.78 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.7 ttp -62.67 -49.01 76.83 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.252 -0.905 . . . . 0.5 110.123 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.459 ' HB2' HD13 ' D' ' 332' ' ' ILE . 21.1 m-85 -60.13 -53.45 57.6 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.13 -0.981 . . . . 0.4 109.366 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 28.1 ttp180 -50.94 -38.09 48.31 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.393 -0.817 . . . . 2.04 109.771 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -60.2 -47.25 86.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.148 -0.97 . . . . 1.44 109.985 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.638 HD22 HD22 ' C' ' 344' ' ' LEU . 63.0 mt -60.94 -40.03 91.71 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.109 -0.995 . . . . 0.32 109.205 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.423 ' C ' ' OD1' ' D' ' 345' ' ' ASN . 45.3 t-20 -59.07 -52.05 67.42 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.32 -0.863 . . . . 1.58 109.804 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.457 ' HB3' ' NZ ' ' C' ' 351' ' ' LYS . 6.6 mt-10 -60.86 -32.72 72.13 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.215 -0.928 . . . . 1.77 109.568 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.704 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -61.19 -51.82 67.4 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.275 -0.891 . . . . 0.24 109.592 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.52 ' HB3' ' NH2' ' B' ' 337' ' ' ARG . 57.8 mt -61.64 -41.67 97.82 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.344 -0.848 . . . . 0.48 109.562 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -60.13 -36.14 76.84 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.26 -0.9 . . . . 1.75 109.568 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 1.089 HD23 HD23 ' C' ' 350' ' ' LEU . 3.3 tp -64.86 -45.1 87.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.307 -0.871 . . . . 1.12 109.567 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.481 ' NZ ' ' HB3' ' C' ' 346' ' ' GLU . 18.7 ttmt -61.78 -40.59 95.73 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.364 -0.835 . . . . 1.56 109.0 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.25 -32.16 69.74 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.546 -0.721 . . . . 1.17 109.644 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.36 -44.28 88.12 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.336 -0.853 . . . . 0.6 109.394 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.761 HE21 HD21 ' C' ' 350' ' ' LEU . 6.8 mt-30 -82.68 -12.33 57.68 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.331 -0.856 . . . . 1.36 109.031 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.24 -42.03 56.17 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.315 -0.866 . . . . 1.11 108.675 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . -85.21 13.89 52.61 Favored Glycine 0 N--CA 1.487 2.082 0 N-CA-C 109.303 -1.519 . . . . 1.59 109.303 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 357' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -82.94 115.56 21.85 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.265 -1.138 . . . . 4.11 108.675 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 358' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.4 133.52 7.68 Favored Pre-proline 0 N--CA 1.488 1.456 0 O-C-N 121.418 -0.801 . . . . 5.81 109.787 -179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 359' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -61.89 -152.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.329 0 C-N-CA 122.051 1.834 . . . . 5.03 109.917 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 360' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.477 -1.449 . . . . 6.91 109.477 179.889 . . . . . . . . 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_