data_6pv2_residue ############################ # Computer software used # ############################ 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 6pv2 _Structure_validation_residue.Date_analyzed 2020-06-19 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 core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo . . . . . 0 N--CA 1.462 -0.33 0 CA-C-O 120.831 0.263 . . . . 0.74 111.826 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.613 ' CE2' ' HB3' ' A' ' 16' ' ' SER . 98.3 m-85 . . . . . 0 C--N 1.32 -0.691 0 CA-C-O 121.408 0.623 . . . . 0.31 109.372 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.638 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 50.4 t . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 108.988 -0.745 . . . . 0.33 108.988 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.0 m -143.11 54.21 1.37 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.852 0.834 . . . . 1.79 109.633 176.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.435 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 33.5 t-105 . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 115.346 -0.843 . . . . 0.95 109.505 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 7' ' ' TRP . 35.2 t . . . . . 0 C--O 1.233 0.221 0 N-CA-C 109.993 -0.373 . . . . 0.41 109.993 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.638 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -136.26 51.12 0.82 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.252 -0.975 . . . . 0.34 113.923 -173.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -72.29 135.56 46.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.974 0.387 . . . . 2.57 110.393 175.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -101.07 133.02 46.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.839 0.352 . . . . 3.87 110.904 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -122.63 151.29 41.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.896 -0.593 . . . . 0.27 110.353 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.8 m -91.65 -15.04 29.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.019 -0.537 . . . . 1.65 110.179 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.407 ' HB3' ' OD2' ' A' ' 17' ' ' ASP . 43.0 mtp180 -119.59 131.56 55.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.571 0.701 . . . . 3.7 111.209 -177.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.613 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 3.1 p -65.42 -34.79 79.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.901 -1.045 . . . . 1.52 111.535 -177.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.431 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 6.5 p-10 -70.69 -30.7 67.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.969 -0.56 . . . . 2.15 110.278 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -73.84 -37.01 64.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.329 -0.396 . . . . 2.28 110.342 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.4 tp -63.5 -42.97 98.5 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.765 -0.457 . . . . 1.07 109.765 172.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -56.98 -51.4 69.36 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.109 -0.496 . . . . 3.01 110.826 176.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.487 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 35.3 mtp180 -57.9 -45.4 86.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.028 -0.533 . . . . 3.23 110.043 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -56.84 -46.8 81.49 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.257 -0.429 . . . . 0.28 110.475 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -61.86 -25.45 67.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.931 -0.577 . . . . 2.36 111.279 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.487 ' HB3' ' O ' ' A' ' 21' ' ' ARG . 60.1 ttt180 -60.73 -22.43 63.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.819 0.343 . . . . 3.39 110.854 177.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.62 -19.75 48.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 1.73 110.794 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 121.078 0.466 . . . . 0.4 110.017 177.688 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo . . . . . 0 N--CA 1.457 -0.633 0 CA-C-O 121.058 0.357 . . . . 0.74 111.939 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 . . . . . 0 C--N 1.319 -0.734 0 CA-C-N 115.859 -0.609 . . . . 0.31 109.48 -179.398 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.435 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 13.1 t . . . . . 0 N--CA 1.45 -0.434 0 CA-C-O 120.841 0.353 . . . . 0.33 110.29 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.5 p -118.74 24.24 10.98 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.182 -0.463 . . . . 1.79 110.972 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 . . . . . 0 C--N 1.324 -0.509 0 CA-C-O 121.439 0.637 . . . . 0.95 109.395 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 39.6 t . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.334 -0.247 . . . . 0.41 110.334 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -153.8 59.84 0.39 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.832 -0.699 . . . . 0.34 112.77 -177.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -82.08 148.41 28.58 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.367 -0.234 . . . . 2.57 110.367 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -110.36 141.03 43.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.854 0.359 . . . . 3.87 110.99 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -128.75 153.23 47.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.765 -0.652 . . . . 0.27 109.943 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.42 -0.84 54.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.988 0.423 . . . . 1.65 111.174 177.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.447 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 75.8 mtp180 -131.74 132.69 44.06 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.022 -0.535 . . . . 3.7 110.188 -177.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 p -67.31 -35.87 80.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.699 -0.682 . . . . 1.52 111.515 -175.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.15 -33.62 76.45 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.084 0.469 . . . . 2.15 109.981 176.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.447 ' CG ' ' HB2' ' A' ' 15' ' ' ARG . 6.5 mm-40 -66.49 -46.62 75.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.507 -0.769 . . . . 2.28 110.442 178.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.8 tp -64.34 -45.77 86.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 1.07 111.132 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' ' 20' ' ' GLN . 7.1 tp60 -63.01 -41.02 99.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.042 0.448 . . . . 3.01 110.526 -178.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -63.02 -44.35 96.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.993 -0.549 . . . . 3.23 109.662 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -55.72 -44.17 77.23 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.67 -0.696 . . . . 0.28 110.266 176.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.96 -31.73 72.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.332 -0.395 . . . . 2.36 110.747 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -66.54 -13.7 61.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.072 0.463 . . . . 3.39 110.287 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.8 m -84.32 -20.38 32.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.936 0.398 . . . . 1.73 110.181 177.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 . . . . . 0 C--N 1.331 -0.201 0 N-CA-C 109.691 -0.485 . . . . 0.4 109.691 174.297 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo . . . . . 0 N--CA 1.455 -0.743 0 CA-C-O 121.415 0.506 . . . . 0.74 112.961 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 C--N 1.319 -0.758 0 CA-C-N 115.392 -0.822 . . . . 0.31 108.81 176.101 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.5 t . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.704 0.288 . . . . 0.33 110.743 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.6 p -110.83 24.16 13.28 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.255 0.465 . . . . 1.79 112.255 -176.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 30.6 t-105 . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 121.055 0.455 . . . . 0.95 110.63 -179.402 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.6 t . . . . . 0 N--CA 1.447 -0.599 0 N-CA-C 109.502 -0.555 . . . . 0.41 109.502 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.65 45.84 0.56 Allowed Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.48 -0.867 . . . . 0.34 112.398 -176.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -69.17 132.18 46.13 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.822 -0.436 . . . . 2.57 109.822 177.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -103.7 140.72 37.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.964 0.411 . . . . 3.87 110.346 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -125.85 153.32 44.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.916 -0.584 . . . . 0.27 110.042 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.1 p -93.04 -0.37 57.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.948 0.404 . . . . 1.65 110.953 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -137.39 134.52 36.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.112 -0.494 . . . . 3.7 109.904 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.53 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 32.8 t -63.83 -36.8 85.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.57 -0.741 . . . . 1.52 110.829 -177.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -65.78 -34.27 77.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.43 -0.35 . . . . 2.15 110.964 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -63.89 -47.65 79.8 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.852 -0.425 . . . . 2.28 109.852 174.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.9 tp -63.95 -39.34 93.92 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 115.811 -0.631 . . . . 1.07 111.116 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' A' ' 16' ' ' SER . 78.5 mt-30 -62.91 -44.59 95.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.899 0.381 . . . . 3.01 110.539 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.6 ttp-105 -60.08 -47.93 83.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 3.23 109.824 176.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -59.56 -45.59 91.39 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.742 -0.663 . . . . 0.28 110.662 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -54.73 -32.7 60.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.74 -0.664 . . . . 2.36 110.691 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -73.85 0.57 12.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 3.39 111.964 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.5 p -80.51 -31.51 37.12 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.314 -0.624 . . . . 1.73 109.314 171.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.625 -0.716 . . . . 0.4 109.647 179.034 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 N--CA 1.461 -0.429 0 CA-C-O 121.184 0.41 . . . . 0.74 112.601 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.492 ' CE2' ' HB3' ' A' ' 16' ' ' SER . 96.7 m-85 . . . . . 0 C--N 1.319 -0.721 0 CA-C-N 115.528 -0.76 . . . . 0.31 109.219 178.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.529 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 29.0 t . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.931 -0.396 . . . . 0.33 109.931 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.7 p -131.97 51.99 2.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.24 0.543 . . . . 1.79 111.091 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 39.4 t-105 . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 115.913 -0.585 . . . . 0.95 109.896 179.794 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.1 t . . . . . 0 N--CA 1.449 -0.507 0 N-CA-C 109.419 -0.586 . . . . 0.41 109.419 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.529 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -146.65 56.97 0.51 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.313 -0.946 . . . . 0.34 113.366 -175.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -70.44 141.35 52.09 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.747 -0.464 . . . . 2.57 109.747 174.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -102.33 135.5 43.82 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.97 0.414 . . . . 3.87 110.646 -177.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -123.37 150.69 43.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.918 -0.583 . . . . 0.27 110.517 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -80.77 -26.98 36.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.819 -0.628 . . . . 1.65 110.738 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 -128.6 144.51 51.17 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.554 0.693 . . . . 3.7 111.14 -175.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.492 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 7.3 p -64.23 -34.3 77.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.0 -1.0 . . . . 1.52 112.02 -174.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -64.22 -32.86 74.6 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.828 0.347 . . . . 2.15 110.798 178.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.98 -40.48 71.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.024 -0.534 . . . . 2.28 109.948 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.1 tp -64.31 -45.63 87.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.5 . . . . 1.07 110.451 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.452 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 56.0 tp60 -59.03 -46.59 87.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.065 0.46 . . . . 3.01 110.227 178.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -54.78 -50.29 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.653 -0.703 . . . . 3.23 110.082 176.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -58.51 -47.36 84.38 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.519 -0.764 . . . . 0.28 110.795 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -58.4 -28.5 65.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.58 -0.282 . . . . 2.36 111.533 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 25.2 mtm180 -70.25 -5.56 28.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.514 -0.312 . . . . 3.39 111.546 -178.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.7 p -81.31 -34.17 32.08 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.82 -0.437 . . . . 1.73 109.82 172.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 . . . . . 0 CA--C 1.518 -0.253 0 CA-C-N 116.11 -0.496 . . . . 0.4 110.089 179.171 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo . . . . . 0 N--CA 1.455 -0.757 0 CA-C-O 120.91 0.296 . . . . 0.74 111.424 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.472 ' CE2' ' HB3' ' A' ' 16' ' ' SER . 96.1 m-85 . . . . . 0 C--N 1.315 -0.933 0 CA-C-N 115.95 -0.568 . . . . 0.31 109.687 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.5 t . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.769 0.318 . . . . 0.33 110.254 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.6 p -137.31 54.98 1.82 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.098 0.475 . . . . 1.79 110.944 -177.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.224 -0.444 . . . . 0.95 110.209 -179.566 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.2 t . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.894 -0.41 . . . . 0.41 109.894 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.44 64.96 0.31 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.331 -0.938 . . . . 0.34 113.722 -175.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -73.15 145.64 46.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.119 -0.326 . . . . 2.57 110.119 172.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -106.38 122.89 47.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.901 0.382 . . . . 3.87 110.795 -178.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -114.36 151.83 32.43 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.136 -0.484 . . . . 0.27 110.508 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.3 m -93.12 -5.92 49.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.565 0.698 . . . . 1.65 110.011 178.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -129.15 130.8 46.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.679 -0.692 . . . . 3.7 110.41 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.472 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 4.9 p -63.8 -32.87 74.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.492 -0.777 . . . . 1.52 110.911 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -64.84 -33.81 76.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.911 -0.586 . . . . 2.15 110.443 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -75.92 -31.58 59.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.105 -0.498 . . . . 2.28 110.716 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.2 tp -68.31 -44.1 76.16 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.744 -0.382 . . . . 1.07 110.511 174.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.432 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 47.9 mt-30 -64.14 -42.84 96.65 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.163 0.506 . . . . 3.01 109.959 176.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -51.6 -52.1 50.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.159 -0.928 . . . . 3.23 109.651 173.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -56.47 -50.22 72.36 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.321 -0.854 . . . . 0.28 110.85 177.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.7 -18.76 56.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.206 -0.452 . . . . 2.36 111.889 -175.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 64.9 mtp180 -64.05 -16.41 61.65 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.679 0.276 . . . . 3.39 111.02 176.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.5 p -77.99 -25.62 48.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.963 0.411 . . . . 1.73 110.419 175.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.4 109.723 177.729 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo . . . . . 0 N--CA 1.461 -0.424 0 CA-C-O 121.139 0.391 . . . . 0.74 111.987 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 16' ' ' SER . 98.8 m-85 . . . . . 0 C--N 1.318 -0.801 0 CA-C-N 115.603 -0.726 . . . . 0.31 109.101 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.444 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 41.5 t . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.502 -0.555 . . . . 0.33 109.502 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.0 p -121.38 36.06 4.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.134 0.492 . . . . 1.79 111.088 -178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 14.0 t-105 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.167 -0.47 . . . . 0.95 110.395 -178.284 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.451 -0.415 0 N-CA-C 109.258 -0.645 . . . . 0.41 109.258 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -142.53 60.91 0.53 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.338 -0.934 . . . . 0.34 113.468 -174.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.403 ' HD2' ' CE1' ' A' ' 22' ' ' HIS . 68.6 mttm -77.55 137.55 38.67 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.622 -0.51 . . . . 2.57 109.622 173.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -100.23 132.51 45.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.03 0.443 . . . . 3.87 111.039 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -123.55 153.92 39.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.897 -0.592 . . . . 0.27 110.025 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -94.12 -0.35 55.35 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.256 0.55 . . . . 1.65 110.638 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -137.29 136.31 37.91 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.07 -0.514 . . . . 3.7 110.426 -177.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.436 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 9.2 p -67.68 -33.83 75.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.005 -0.543 . . . . 1.52 110.818 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.27 -33.51 75.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.886 -0.597 . . . . 2.15 110.599 176.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -75.31 -34.9 61.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.075 -0.511 . . . . 2.28 110.525 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.5 tp -65.78 -46.82 77.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.444 -0.344 . . . . 1.07 110.343 174.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -59.05 -47.14 86.32 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.353 0.597 . . . . 3.01 109.889 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -52.54 -50.03 63.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.852 -1.067 . . . . 3.23 110.281 175.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.403 ' CE1' ' HD2' ' A' ' 11' ' ' LYS . 50.1 t60 -59.94 -44.2 94.53 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.965 -0.562 . . . . 0.28 110.95 178.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -61.17 -21.15 63.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.697 0.284 . . . . 2.36 111.192 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -67.78 -4.42 12.41 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.428 -0.351 . . . . 3.39 111.259 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.1 p -86.68 -28.68 23.0 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.182 0.515 . . . . 1.73 109.861 173.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.209 -0.663 . . . . 0.4 109.209 176.802 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo . . . . . 0 N--CA 1.462 -0.356 0 CA-C-O 121.086 0.369 . . . . 0.74 112.292 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 . . . . . 0 C--N 1.32 -0.698 0 N-CA-C 109.14 -0.689 . . . . 0.31 109.14 178.541 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.622 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 46.1 t . . . . . 0 N--CA 1.448 -0.542 0 N-CA-C 109.533 -0.543 . . . . 0.33 109.533 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.5 p -131.84 50.12 2.26 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.077 0.465 . . . . 1.79 110.697 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.7 t-105 . . . . . 0 C--N 1.327 -0.385 0 CA-C-O 121.091 0.472 . . . . 0.95 110.294 -177.64 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.4 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.702 -0.481 . . . . 0.41 109.702 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.622 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -125.9 46.46 1.08 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.87 -0.681 . . . . 0.34 113.222 -175.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -71.39 128.59 36.38 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.664 -0.495 . . . . 2.57 109.664 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -105.24 147.27 28.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.123 0.487 . . . . 3.87 111.733 -174.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -132.24 157.36 44.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.576 -0.738 . . . . 0.27 110.921 -176.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.9 p -98.19 -1.22 42.62 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.145 -0.479 . . . . 1.65 111.158 177.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -135.66 138.9 43.29 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.001 0.429 . . . . 3.7 110.354 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.9 t -62.71 -32.83 74.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.681 -0.69 . . . . 1.52 110.008 176.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.24 -43.89 88.0 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.927 -0.579 . . . . 2.15 110.305 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -64.66 -44.41 90.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.621 -0.718 . . . . 2.28 110.495 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.5 tp -64.32 -39.55 94.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 1.07 110.812 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -62.17 -49.13 77.06 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.124 0.488 . . . . 3.01 110.454 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.414 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 99.1 mtt180 -58.92 -45.09 91.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.668 -0.696 . . . . 3.23 109.924 178.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -61.67 -42.92 99.58 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.649 -0.705 . . . . 0.28 110.98 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -54.26 -29.81 48.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.648 -0.251 . . . . 2.36 111.169 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 21' ' ' ARG . 99.8 mtt180 -61.34 -22.67 65.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.346 -0.388 . . . . 3.39 111.687 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.2 p -72.28 -28.06 62.87 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 120.929 0.395 . . . . 1.73 110.33 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.024 -0.534 . . . . 0.4 110.567 179.157 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 N--CA 1.458 -0.602 0 N-CA-C 111.321 -0.3 . . . . 0.74 111.321 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 . . . . . 0 C--N 1.316 -0.849 0 N-CA-C 109.234 -0.654 . . . . 0.31 109.234 179.11 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.543 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 41.0 t . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 109.601 -0.518 . . . . 0.33 109.601 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.4 p -127.18 46.74 2.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.195 0.521 . . . . 1.79 110.981 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 14.2 t-105 . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 116.041 -0.527 . . . . 0.95 110.43 -177.686 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.2 t . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 109.48 -0.563 . . . . 0.41 109.48 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.543 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -131.77 61.48 0.66 Allowed Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.69 -0.767 . . . . 0.34 112.674 -175.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -85.6 133.34 34.06 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.587 -0.523 . . . . 2.57 109.587 177.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 74.9 mtt85 -100.58 135.19 42.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.572 -0.285 . . . . 3.87 111.357 -175.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -122.36 150.72 42.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.175 -0.466 . . . . 0.27 110.63 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -89.17 -14.52 35.91 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.824 -0.625 . . . . 1.65 110.37 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -131.45 135.52 47.2 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.441 0.638 . . . . 3.7 110.944 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.9 t -64.42 -32.0 73.45 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.166 -0.925 . . . . 1.52 111.17 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.34 -33.86 76.82 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.334 -0.394 . . . . 2.15 110.428 176.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -75.77 -34.83 60.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.95 -0.568 . . . . 2.28 110.729 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.7 tp -63.87 -46.64 84.04 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.777 -0.369 . . . . 1.07 110.286 174.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -62.42 -43.92 97.67 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.129 0.49 . . . . 3.01 110.277 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -51.42 -54.1 30.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.149 -0.932 . . . . 3.23 109.801 174.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.5 ' O ' HG23 ' A' ' 25' ' ' THR . 46.8 t60 -57.23 -44.8 84.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.199 -0.91 . . . . 0.28 111.12 178.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -56.46 -28.92 60.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.565 -0.289 . . . . 2.36 111.48 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -66.11 -8.22 22.42 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.475 -0.33 . . . . 3.39 111.719 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 22' ' ' HIS . 1.5 t -83.99 -28.0 28.05 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.658 -0.497 . . . . 1.73 109.658 175.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 109.533 -0.543 . . . . 0.4 109.533 178.321 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 N--CA 1.458 -0.616 0 N-CA-C 111.151 -0.365 . . . . 0.74 111.151 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 . . . . . 0 C--N 1.319 -0.755 0 CA-C-O 121.334 0.588 . . . . 0.31 110.202 -177.015 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.8 t . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 120.9 0.381 . . . . 0.33 109.974 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.2 p -118.5 30.65 7.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.124 -0.489 . . . . 1.79 111.365 -176.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 . . . . . 0 C--N 1.321 -0.632 0 N-CA-C 109.469 -0.567 . . . . 0.95 109.469 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.9 t . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 120.808 0.337 . . . . 0.41 110.325 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.71 51.99 0.59 Allowed Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.961 -0.638 . . . . 0.34 112.434 -178.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -67.54 142.86 56.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.666 0.27 . . . . 2.57 110.505 174.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -108.65 130.83 55.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.287 -0.415 . . . . 3.87 110.848 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -117.75 168.12 10.75 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.545 -0.752 . . . . 0.27 110.202 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 p -99.72 -16.58 18.1 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.074 0.398 . . . . 1.65 112.074 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.416 ' HB2' ' HG3' ' A' ' 18' ' ' GLU . 69.7 mtp180 -132.83 143.55 49.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.038 0.447 . . . . 3.7 110.281 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.7 m -58.04 -33.03 68.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.637 -0.711 . . . . 1.52 111.386 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.63 -36.24 82.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.437 -0.347 . . . . 2.15 110.68 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' HG3' ' HB2' ' A' ' 15' ' ' ARG . 51.1 mt-10 -61.08 -46.55 90.17 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.342 0.592 . . . . 2.28 109.511 176.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.6 tp -66.55 -43.14 85.88 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.028 -0.987 . . . . 1.07 111.145 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -63.56 -45.89 88.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.797 0.332 . . . . 3.01 111.011 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -58.38 -45.02 89.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.818 -0.628 . . . . 3.23 109.746 175.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -57.81 -47.72 81.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.797 -0.638 . . . . 0.28 110.535 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -57.87 -25.91 61.39 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.28 -0.418 . . . . 2.36 111.843 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -62.53 -26.7 68.7 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.836 -0.346 . . . . 3.39 110.891 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.2 p -73.27 -25.66 60.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.924 0.393 . . . . 1.73 110.831 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 . . . . . 0 CA--C 1.519 -0.239 0 CA-C-O 121.174 0.511 . . . . 0.4 109.71 175.096 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo . . . . . 0 C--O 1.236 0.407 0 CA-C-O 121.16 0.4 . . . . 0.74 112.015 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 16' ' ' SER . 91.1 m-85 . . . . . 0 C--N 1.319 -0.757 0 CA-C-N 115.71 -0.677 . . . . 0.31 109.7 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.439 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 37.1 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.02 -0.363 . . . . 0.33 110.02 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 p -108.81 19.95 19.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.276 -0.42 . . . . 1.79 111.787 -176.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 . . . . . 0 C--N 1.325 -0.488 0 CA-C-O 121.018 0.437 . . . . 0.95 110.096 -178.87 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.2 t . . . . . 0 N--CA 1.45 -0.463 0 N-CA-C 109.855 -0.424 . . . . 0.41 109.855 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -149.51 43.53 0.76 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.645 -0.788 . . . . 0.34 112.892 -177.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -61.69 143.47 56.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.747 0.308 . . . . 2.57 111.014 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 -100.79 142.09 32.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 3.87 110.534 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -131.85 147.08 52.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.878 -0.601 . . . . 0.27 109.999 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.4 m -85.31 -13.18 50.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.301 0.572 . . . . 1.65 110.484 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -131.97 134.58 45.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.038 -0.528 . . . . 3.7 110.616 -176.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.436 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 3.7 p -66.47 -29.77 69.97 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.671 -0.695 . . . . 1.52 111.743 -175.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.29 -31.73 71.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.875 0.369 . . . . 2.15 110.418 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -68.42 -39.98 81.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.248 -0.433 . . . . 2.28 109.852 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 46.5 tp -64.44 -45.28 88.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.864 -0.607 . . . . 1.07 110.728 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -60.72 -49.16 78.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.047 0.451 . . . . 3.01 110.457 177.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.6 ttt-85 -56.34 -43.96 79.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.576 -0.738 . . . . 3.23 109.93 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -60.76 -47.11 87.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.534 -0.757 . . . . 0.28 110.679 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -60.14 -22.49 62.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.74 0.305 . . . . 2.36 111.326 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -70.77 -6.32 36.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.321 -0.4 . . . . 3.39 111.351 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.6 p -83.39 -32.26 26.27 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.542 -0.54 . . . . 1.73 109.542 171.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.616 0.722 . . . . 0.4 109.287 174.998 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 109.814 -0.439 . . . . 4.84 109.814 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -77.29 159.94 32.84 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.342 2.028 . . . . 0.74 111.826 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.613 ' CE2' ' HB3' ' A' ' 16' ' ' SER . 98.3 m-85 -92.79 83.06 4.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.408 0.623 . . . . 0.31 109.372 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.638 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 50.4 t -76.01 146.02 39.82 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.988 -0.745 . . . . 0.33 108.988 172.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.0 m -143.11 54.21 1.37 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.852 0.834 . . . . 1.79 109.633 176.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.435 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 33.5 t-105 . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 115.346 -0.843 . . . . 0.95 109.505 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 7' ' ' TRP . 35.2 t -63.12 119.2 9.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.864 -0.607 . . . . 0.41 109.993 176.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.638 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -136.26 51.12 0.82 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.252 -0.975 . . . . 0.34 113.923 -173.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -72.29 135.56 46.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.974 0.387 . . . . 2.57 110.393 175.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -101.07 133.02 46.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.839 0.352 . . . . 3.87 110.904 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -122.63 151.29 41.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.896 -0.593 . . . . 0.27 110.353 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.8 m -91.65 -15.04 29.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.019 -0.537 . . . . 1.65 110.179 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.407 ' HB3' ' OD2' ' A' ' 17' ' ' ASP . 43.0 mtp180 -119.59 131.56 55.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.571 0.701 . . . . 3.7 111.209 -177.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.613 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 3.1 p -65.42 -34.79 79.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.901 -1.045 . . . . 1.52 111.535 -177.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.431 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 6.5 p-10 -70.69 -30.7 67.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.969 -0.56 . . . . 2.15 110.278 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -73.84 -37.01 64.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.329 -0.396 . . . . 2.28 110.342 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.4 tp -63.5 -42.97 98.5 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.765 -0.457 . . . . 1.07 109.765 172.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -56.98 -51.4 69.36 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.109 -0.496 . . . . 3.01 110.826 176.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.487 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 35.3 mtp180 -57.9 -45.4 86.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.028 -0.533 . . . . 3.23 110.043 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -56.84 -46.8 81.49 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.257 -0.429 . . . . 0.28 110.475 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -61.86 -25.45 67.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.931 -0.577 . . . . 2.36 111.279 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.487 ' HB3' ' O ' ' A' ' 21' ' ' ARG . 60.1 ttt180 -60.73 -22.43 63.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.819 0.343 . . . . 3.39 110.854 177.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.62 -19.75 48.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 1.73 110.794 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -92.8 -44.43 8.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.078 0.466 . . . . 0.4 110.017 177.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.5 t -153.17 158.1 41.29 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.908 -0.587 . . . . 2.64 110.31 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.22 -24.97 27.6 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.832 -0.699 . . . . 3.5 111.59 -177.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -144.77 132.48 21.11 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.89 -0.411 . . . . 6.58 109.89 176.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -118.57 -78.61 0.59 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.672 -0.492 . . . . 8.79 109.672 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.711 0 CA-C-N 116.485 -0.325 . . . . 6.91 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 . . . . . 0 N--CA 1.477 0.895 0 CA-C-O 120.616 0.246 . . . . 4.84 110.391 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -77.46 133.41 13.06 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.965 1.777 . . . . 0.74 111.939 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -85.13 92.77 8.47 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.859 -0.609 . . . . 0.31 109.48 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.435 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 13.1 t -73.48 137.23 44.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.503 -0.771 . . . . 0.33 110.29 174.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.5 p -118.74 24.24 10.98 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.182 -0.463 . . . . 1.79 110.972 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 . . . . . 0 C--N 1.324 -0.509 0 CA-C-O 121.439 0.637 . . . . 0.95 109.395 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 39.6 t -84.83 134.07 34.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.425 -0.352 . . . . 0.41 110.334 -178.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -153.8 59.84 0.39 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.832 -0.699 . . . . 0.34 112.77 -177.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -82.08 148.41 28.58 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.367 -0.234 . . . . 2.57 110.367 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -110.36 141.03 43.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.854 0.359 . . . . 3.87 110.99 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -128.75 153.23 47.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.765 -0.652 . . . . 0.27 109.943 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.42 -0.84 54.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.988 0.423 . . . . 1.65 111.174 177.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.447 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 75.8 mtp180 -131.74 132.69 44.06 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.022 -0.535 . . . . 3.7 110.188 -177.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 p -67.31 -35.87 80.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.699 -0.682 . . . . 1.52 111.515 -175.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.15 -33.62 76.45 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.084 0.469 . . . . 2.15 109.981 176.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.447 ' CG ' ' HB2' ' A' ' 15' ' ' ARG . 6.5 mm-40 -66.49 -46.62 75.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.507 -0.769 . . . . 2.28 110.442 178.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.8 tp -64.34 -45.77 86.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 1.07 111.132 178.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' ' 20' ' ' GLN . 7.1 tp60 -63.01 -41.02 99.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.042 0.448 . . . . 3.01 110.526 -178.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -63.02 -44.35 96.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.993 -0.549 . . . . 3.23 109.662 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -55.72 -44.17 77.23 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.67 -0.696 . . . . 0.28 110.266 176.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.96 -31.73 72.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.332 -0.395 . . . . 2.36 110.747 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -66.54 -13.7 61.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.072 0.463 . . . . 3.39 110.287 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.8 m -84.32 -20.38 32.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.936 0.398 . . . . 1.73 110.181 177.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -85.96 -39.32 17.03 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.691 -0.485 . . . . 0.4 109.691 174.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.0 p -85.01 1.78 46.06 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.788 -0.642 . . . . 2.64 111.205 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.78 136.38 13.62 Favored Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 111.413 -0.675 . . . . 3.5 111.413 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -78.92 142.28 36.87 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.906 0.384 . . . . 6.58 110.688 -178.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -121.48 89.23 3.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.096 0.474 . . . . 8.79 110.049 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 116.177 -0.465 . . . . 6.91 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 109.567 -0.531 . . . . 4.84 109.567 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -84.22 158.26 13.11 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 122.296 1.997 . . . . 0.74 112.961 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -99.23 91.04 4.79 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.392 -0.822 . . . . 0.31 108.81 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 12' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.5 t -64.94 135.14 55.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.402 -0.817 . . . . 0.33 110.743 175.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.6 p -110.83 24.16 13.28 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.255 0.465 . . . . 1.79 112.255 -176.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 30.6 t-105 . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 121.055 0.455 . . . . 0.95 110.63 -179.402 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 51.6 t -72.37 135.4 45.85 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.502 -0.555 . . . . 0.41 109.502 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.65 45.84 0.56 Allowed Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.48 -0.867 . . . . 0.34 112.398 -176.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -69.17 132.18 46.13 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.822 -0.436 . . . . 2.57 109.822 177.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.449 ' HA ' ' HA ' ' A' ' 4' ' ' NLE . 33.2 ptt180 -103.7 140.72 37.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.964 0.411 . . . . 3.87 110.346 -179.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -125.85 153.32 44.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.916 -0.584 . . . . 0.27 110.042 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.1 p -93.04 -0.37 57.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.948 0.404 . . . . 1.65 110.953 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -137.39 134.52 36.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.112 -0.494 . . . . 3.7 109.904 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.53 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 32.8 t -63.83 -36.8 85.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.57 -0.741 . . . . 1.52 110.829 -177.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -65.78 -34.27 77.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.43 -0.35 . . . . 2.15 110.964 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -63.89 -47.65 79.8 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.852 -0.425 . . . . 2.28 109.852 174.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.9 tp -63.95 -39.34 93.92 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 115.811 -0.631 . . . . 1.07 111.116 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' A' ' 16' ' ' SER . 78.5 mt-30 -62.91 -44.59 95.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.899 0.381 . . . . 3.01 110.539 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.6 ttp-105 -60.08 -47.93 83.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 3.23 109.824 176.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -59.56 -45.59 91.39 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.742 -0.663 . . . . 0.28 110.662 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -54.73 -32.7 60.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.74 -0.664 . . . . 2.36 110.691 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -73.85 0.57 12.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 3.39 111.964 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.5 p -80.51 -31.51 37.12 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.314 -0.624 . . . . 1.73 109.314 171.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -95.31 -50.49 5.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.625 -0.716 . . . . 0.4 109.647 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.9 m -97.52 85.44 3.62 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.444 -0.798 . . . . 2.64 110.87 -175.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.41 -80.85 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 111.062 -0.815 . . . . 3.5 111.062 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -120.53 -45.27 2.42 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.621 -0.511 . . . . 6.58 109.621 175.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -90.09 -74.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.845 -0.616 . . . . 8.79 109.889 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 116.293 -0.412 . . . . 6.91 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 109.864 -0.421 . . . . 4.84 109.864 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.97 144.79 34.78 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.277 1.985 . . . . 0.74 112.601 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.492 ' CE2' ' HB3' ' A' ' 16' ' ' SER . 96.7 m-85 -86.91 96.71 10.33 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.528 -0.76 . . . . 0.31 109.219 178.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.529 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 29.0 t -69.56 143.59 53.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.641 -0.709 . . . . 0.33 109.931 173.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.7 p -131.97 51.99 2.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.24 0.543 . . . . 1.79 111.091 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 39.4 t-105 . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 115.913 -0.585 . . . . 0.95 109.896 179.794 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.1 t -66.46 126.62 29.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.496 -0.775 . . . . 0.41 109.419 173.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.529 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -146.65 56.97 0.51 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.313 -0.946 . . . . 0.34 113.366 -175.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -70.44 141.35 52.09 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.747 -0.464 . . . . 2.57 109.747 174.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -102.33 135.5 43.82 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.97 0.414 . . . . 3.87 110.646 -177.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -123.37 150.69 43.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.918 -0.583 . . . . 0.27 110.517 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -80.77 -26.98 36.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.819 -0.628 . . . . 1.65 110.738 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 -128.6 144.51 51.17 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.554 0.693 . . . . 3.7 111.14 -175.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.492 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 7.3 p -64.23 -34.3 77.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.0 -1.0 . . . . 1.52 112.02 -174.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -64.22 -32.86 74.6 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.828 0.347 . . . . 2.15 110.798 178.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.98 -40.48 71.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.024 -0.534 . . . . 2.28 109.948 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.1 tp -64.31 -45.63 87.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.5 . . . . 1.07 110.451 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.452 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 56.0 tp60 -59.03 -46.59 87.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.065 0.46 . . . . 3.01 110.227 178.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -54.78 -50.29 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.653 -0.703 . . . . 3.23 110.082 176.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -58.51 -47.36 84.38 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.519 -0.764 . . . . 0.28 110.795 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -58.4 -28.5 65.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.58 -0.282 . . . . 2.36 111.533 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 25.2 mtm180 -70.25 -5.56 28.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.514 -0.312 . . . . 3.39 111.546 -178.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.7 p -81.31 -34.17 32.08 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.82 -0.437 . . . . 1.73 109.82 172.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -77.63 -40.7 40.97 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.11 -0.496 . . . . 0.4 110.089 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.5 p -85.57 50.98 2.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.867 -0.606 . . . . 2.64 110.828 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.13 135.12 14.84 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.799 -0.715 . . . . 3.5 111.362 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -68.22 -50.44 54.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.053 0.454 . . . . 6.58 110.168 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -122.03 82.55 1.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.036 -0.529 . . . . 8.79 110.27 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.784 0 CA-C-N 116.091 -0.504 . . . . 6.91 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.686 -0.487 . . . . 4.84 109.686 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -76.02 146.16 28.83 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 121.952 1.768 . . . . 0.74 111.424 173.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.472 ' CE2' ' HB3' ' A' ' 16' ' ' SER . 96.1 m-85 -94.5 93.67 7.76 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.95 -0.568 . . . . 0.31 109.687 -178.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.5 t -67.93 148.73 50.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.692 -0.685 . . . . 0.33 110.254 175.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.6 p -137.31 54.98 1.82 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.098 0.475 . . . . 1.79 110.944 -177.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.224 -0.444 . . . . 0.95 110.209 -179.566 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.2 t -67.42 133.33 49.37 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.311 -0.859 . . . . 0.41 109.894 176.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.44 64.96 0.31 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.331 -0.938 . . . . 0.34 113.722 -175.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -73.15 145.64 46.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.119 -0.326 . . . . 2.57 110.119 172.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -106.38 122.89 47.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.901 0.382 . . . . 3.87 110.795 -178.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -114.36 151.83 32.43 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.136 -0.484 . . . . 0.27 110.508 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.3 m -93.12 -5.92 49.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.565 0.698 . . . . 1.65 110.011 178.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -129.15 130.8 46.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.679 -0.692 . . . . 3.7 110.41 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.472 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 4.9 p -63.8 -32.87 74.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.492 -0.777 . . . . 1.52 110.911 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -64.84 -33.81 76.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.911 -0.586 . . . . 2.15 110.443 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -75.92 -31.58 59.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.105 -0.498 . . . . 2.28 110.716 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.2 tp -68.31 -44.1 76.16 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.744 -0.382 . . . . 1.07 110.511 174.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.432 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 47.9 mt-30 -64.14 -42.84 96.65 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.163 0.506 . . . . 3.01 109.959 176.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -51.6 -52.1 50.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.159 -0.928 . . . . 3.23 109.651 173.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -56.47 -50.22 72.36 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.321 -0.854 . . . . 0.28 110.85 177.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.7 -18.76 56.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.206 -0.452 . . . . 2.36 111.889 -175.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 64.9 mtp180 -64.05 -16.41 61.65 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.679 0.276 . . . . 3.39 111.02 176.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.434 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 80.5 p -77.99 -25.62 48.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.963 0.411 . . . . 1.73 110.419 175.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -86.93 -55.5 3.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.4 109.723 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.1 p -80.62 102.24 9.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.246 -0.434 . . . . 2.64 110.49 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.68 -19.81 35.41 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.885 -0.674 . . . . 3.5 111.608 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 25' ' ' THR . 37.6 tt0 60.33 32.62 20.75 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.507 0.67 . . . . 6.58 111.015 178.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -109.25 -79.98 0.58 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.28 -0.418 . . . . 8.79 110.339 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.599 0 CA-C-N 116.705 -0.225 . . . . 6.91 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 109.887 -0.412 . . . . 4.84 109.887 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -78.27 163.88 27.2 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.272 1.981 . . . . 0.74 111.987 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 16' ' ' SER . 98.8 m-85 -97.48 92.68 6.06 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.603 -0.726 . . . . 0.31 109.101 176.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.444 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 41.5 t -65.68 136.84 56.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.928 -0.578 . . . . 0.33 109.502 174.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.0 p -121.38 36.06 4.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.134 0.492 . . . . 1.79 111.088 -178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 14.0 t-105 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.167 -0.47 . . . . 0.95 110.395 -178.284 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.0 t -66.19 125.14 24.62 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.77 -0.65 . . . . 0.41 109.258 172.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -142.53 60.91 0.53 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.338 -0.934 . . . . 0.34 113.468 -174.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.403 ' HD2' ' CE1' ' A' ' 22' ' ' HIS . 68.6 mttm -77.55 137.55 38.67 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.622 -0.51 . . . . 2.57 109.622 173.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -100.23 132.51 45.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.03 0.443 . . . . 3.87 111.039 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -123.55 153.92 39.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.897 -0.592 . . . . 0.27 110.025 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -94.12 -0.35 55.35 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.256 0.55 . . . . 1.65 110.638 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -137.29 136.31 37.91 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.07 -0.514 . . . . 3.7 110.426 -177.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.436 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 9.2 p -67.68 -33.83 75.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.005 -0.543 . . . . 1.52 110.818 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.27 -33.51 75.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.886 -0.597 . . . . 2.15 110.599 176.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -75.31 -34.9 61.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.075 -0.511 . . . . 2.28 110.525 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.5 tp -65.78 -46.82 77.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.444 -0.344 . . . . 1.07 110.343 174.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -59.05 -47.14 86.32 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.353 0.597 . . . . 3.01 109.889 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -52.54 -50.03 63.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.852 -1.067 . . . . 3.23 110.281 175.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.403 ' CE1' ' HD2' ' A' ' 11' ' ' LYS . 50.1 t60 -59.94 -44.2 94.53 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.965 -0.562 . . . . 0.28 110.95 178.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -61.17 -21.15 63.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.697 0.284 . . . . 2.36 111.192 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -67.78 -4.42 12.41 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.428 -0.351 . . . . 3.39 111.259 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.1 p -86.68 -28.68 23.0 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.182 0.515 . . . . 1.73 109.861 173.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -81.62 -46.98 13.61 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.209 -0.663 . . . . 0.4 109.209 176.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.8 m -106.23 66.65 0.71 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.727 0.775 . . . . 2.64 109.508 176.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.47 161.42 33.89 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.347 -0.842 . . . . 3.5 112.396 -177.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -87.3 78.98 8.65 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.499 -0.556 . . . . 6.58 109.499 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -132.52 96.64 3.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.309 0.576 . . . . 8.79 110.08 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.777 0 CA-C-N 116.041 -0.527 . . . . 6.91 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 110.104 -0.332 . . . . 4.84 110.104 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.05 166.48 27.84 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.506 2.138 . . . . 0.74 112.292 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -88.9 84.75 6.64 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.14 -0.689 . . . . 0.31 109.14 178.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . 0.529 ' HA ' ' HA ' ' A' ' 12' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.622 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 46.1 t -70.84 142.11 51.26 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.792 -0.64 . . . . 0.33 109.533 173.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.5 p -131.84 50.12 2.26 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.077 0.465 . . . . 1.79 110.697 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.7 t-105 . . . . . 0 C--N 1.327 -0.385 0 CA-C-O 121.091 0.472 . . . . 0.95 110.294 -177.64 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.4 t -65.96 115.76 6.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.851 -0.613 . . . . 0.41 109.702 175.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.622 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -125.9 46.46 1.08 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.87 -0.681 . . . . 0.34 113.222 -175.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -71.39 128.59 36.38 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.664 -0.495 . . . . 2.57 109.664 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.529 ' HA ' ' HA ' ' A' ' 4' ' ' NLE . 37.3 ptt180 -105.24 147.27 28.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.123 0.487 . . . . 3.87 111.733 -174.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -132.24 157.36 44.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.576 -0.738 . . . . 0.27 110.921 -176.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.9 p -98.19 -1.22 42.62 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.145 -0.479 . . . . 1.65 111.158 177.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -135.66 138.9 43.29 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.001 0.429 . . . . 3.7 110.354 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.9 t -62.71 -32.83 74.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.681 -0.69 . . . . 1.52 110.008 176.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.24 -43.89 88.0 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.927 -0.579 . . . . 2.15 110.305 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -64.66 -44.41 90.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.621 -0.718 . . . . 2.28 110.495 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.5 tp -64.32 -39.55 94.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 1.07 110.812 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -62.17 -49.13 77.06 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.124 0.488 . . . . 3.01 110.454 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.414 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 99.1 mtt180 -58.92 -45.09 91.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.668 -0.696 . . . . 3.23 109.924 178.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -61.67 -42.92 99.58 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.649 -0.705 . . . . 0.28 110.98 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -54.26 -29.81 48.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.648 -0.251 . . . . 2.36 111.169 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 21' ' ' ARG . 99.8 mtt180 -61.34 -22.67 65.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.346 -0.388 . . . . 3.39 111.687 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.2 p -72.28 -28.06 62.87 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 120.929 0.395 . . . . 1.73 110.33 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -92.43 -34.68 14.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.024 -0.534 . . . . 0.4 110.567 179.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.2 p -103.64 34.37 3.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.926 -0.579 . . . . 2.64 111.412 -174.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.25 33.2 5.41 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.206 -0.758 . . . . 3.5 111.206 177.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -119.0 21.43 12.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.689 0.757 . . . . 6.58 109.578 -178.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -108.87 92.53 4.09 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.634 -0.712 . . . . 8.79 109.997 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.703 0 CA-C-N 116.296 -0.411 . . . . 6.91 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 110.231 -0.285 . . . . 4.84 110.231 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -79.79 146.93 19.01 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.235 1.957 . . . . 0.74 111.321 174.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -81.23 89.98 6.06 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.234 -0.654 . . . . 0.31 109.234 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.543 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 41.0 t -71.47 137.67 48.4 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.807 -0.633 . . . . 0.33 109.601 174.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.4 p -127.18 46.74 2.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.195 0.521 . . . . 1.79 110.981 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 14.2 t-105 . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 116.041 -0.527 . . . . 0.95 110.43 -177.686 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.2 t -68.05 116.61 8.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.427 -0.806 . . . . 0.41 109.48 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.543 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -131.77 61.48 0.66 Allowed Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.69 -0.767 . . . . 0.34 112.674 -175.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -85.6 133.34 34.06 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.587 -0.523 . . . . 2.57 109.587 177.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 74.9 mtt85 -100.58 135.19 42.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.572 -0.285 . . . . 3.87 111.357 -175.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -122.36 150.72 42.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.175 -0.466 . . . . 0.27 110.63 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -89.17 -14.52 35.91 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.824 -0.625 . . . . 1.65 110.37 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -131.45 135.52 47.2 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.441 0.638 . . . . 3.7 110.944 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.9 t -64.42 -32.0 73.45 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.166 -0.925 . . . . 1.52 111.17 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.34 -33.86 76.82 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.334 -0.394 . . . . 2.15 110.428 176.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -75.77 -34.83 60.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.95 -0.568 . . . . 2.28 110.729 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.7 tp -63.87 -46.64 84.04 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.777 -0.369 . . . . 1.07 110.286 174.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -62.42 -43.92 97.67 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.129 0.49 . . . . 3.01 110.277 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -51.42 -54.1 30.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.149 -0.932 . . . . 3.23 109.801 174.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.5 ' O ' HG23 ' A' ' 25' ' ' THR . 46.8 t60 -57.23 -44.8 84.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.199 -0.91 . . . . 0.28 111.12 178.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -56.46 -28.92 60.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.565 -0.289 . . . . 2.36 111.48 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 27' ' ' THR . 17.8 mtp180 -66.11 -8.22 22.42 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.475 -0.33 . . . . 3.39 111.719 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 22' ' ' HIS . 1.5 t -83.99 -28.0 28.05 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.658 -0.497 . . . . 1.73 109.658 175.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -82.88 -44.74 15.05 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.533 -0.543 . . . . 0.4 109.533 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 24' ' ' ARG . 13.3 t -159.8 147.15 16.68 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.754 -0.657 . . . . 2.64 109.731 177.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 135.81 49.75 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.387 -0.685 . . . . 3.5 111.387 -175.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -82.36 71.08 9.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.866 0.365 . . . . 6.58 110.443 -177.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -73.72 91.44 1.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.82 -0.627 . . . . 8.79 110.798 -177.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.756 0 CA-C-N 116.289 -0.414 . . . . 6.91 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 110.223 -0.288 . . . . 4.84 110.223 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -78.95 133.3 11.1 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.031 1.821 . . . . 0.74 111.151 174.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -83.33 94.3 7.91 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.334 0.588 . . . . 0.31 110.202 -177.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.8 t -64.51 142.48 58.41 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.026 -0.534 . . . . 0.33 109.974 174.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.2 p -118.5 30.65 7.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.124 -0.489 . . . . 1.79 111.365 -176.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 . . . . . 0 C--N 1.321 -0.632 0 N-CA-C 109.469 -0.567 . . . . 0.95 109.469 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.9 t -75.46 118.66 18.57 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.808 0.337 . . . . 0.41 110.325 -178.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.71 51.99 0.59 Allowed Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.961 -0.638 . . . . 0.34 112.434 -178.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -67.54 142.86 56.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.666 0.27 . . . . 2.57 110.505 174.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -108.65 130.83 55.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.287 -0.415 . . . . 3.87 110.848 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -117.75 168.12 10.75 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.545 -0.752 . . . . 0.27 110.202 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 p -99.72 -16.58 18.1 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.074 0.398 . . . . 1.65 112.074 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.416 ' HB2' ' HG3' ' A' ' 18' ' ' GLU . 69.7 mtp180 -132.83 143.55 49.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.038 0.447 . . . . 3.7 110.281 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.7 m -58.04 -33.03 68.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.637 -0.711 . . . . 1.52 111.386 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.63 -36.24 82.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.437 -0.347 . . . . 2.15 110.68 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' HG3' ' HB2' ' A' ' 15' ' ' ARG . 51.1 mt-10 -61.08 -46.55 90.17 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.342 0.592 . . . . 2.28 109.511 176.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.6 tp -66.55 -43.14 85.88 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.028 -0.987 . . . . 1.07 111.145 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -63.56 -45.89 88.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.797 0.332 . . . . 3.01 111.011 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -58.38 -45.02 89.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.818 -0.628 . . . . 3.23 109.746 175.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -57.81 -47.72 81.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.797 -0.638 . . . . 0.28 110.535 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -57.87 -25.91 61.39 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.28 -0.418 . . . . 2.36 111.843 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -62.53 -26.7 68.7 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.836 -0.346 . . . . 3.39 110.891 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.2 p -73.27 -25.66 60.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.924 0.393 . . . . 1.73 110.831 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -82.41 -37.67 25.19 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.174 0.511 . . . . 0.4 109.71 175.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.1 m -63.34 -36.99 85.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.334 -0.848 . . . . 2.64 110.967 -177.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -176.3 -169.45 37.77 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.411 -0.899 . . . . 3.5 112.211 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -140.98 -32.24 0.57 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.983 0.421 . . . . 6.58 110.321 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -62.4 -67.24 0.43 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.853 -0.612 . . . . 8.79 110.547 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.667 0 CA-C-N 116.383 -0.371 . . . . 6.91 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 N--CA 1.483 1.19 0 N-CA-C 110.147 -0.316 . . . . 4.84 110.147 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -70.47 145.76 53.94 Favored 'Trans proline' 0 C--O 1.236 0.407 0 C-N-CA 122.204 1.936 . . . . 0.74 112.015 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 16' ' ' SER . 91.1 m-85 -87.77 109.17 19.53 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.71 -0.677 . . . . 0.31 109.7 -178.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.439 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 37.1 t -67.68 133.82 50.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.141 -0.481 . . . . 0.33 110.02 174.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 p -108.81 19.95 19.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.276 -0.42 . . . . 1.79 111.787 -176.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 . . . . . 0 C--N 1.325 -0.488 0 CA-C-O 121.018 0.437 . . . . 0.95 110.096 -178.87 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.2 t -87.97 129.62 35.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.147 -0.478 . . . . 0.41 109.855 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -149.51 43.53 0.76 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.645 -0.788 . . . . 0.34 112.892 -177.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -61.69 143.47 56.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.747 0.308 . . . . 2.57 111.014 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 -100.79 142.09 32.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 3.87 110.534 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -131.85 147.08 52.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.878 -0.601 . . . . 0.27 109.999 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.4 m -85.31 -13.18 50.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.301 0.572 . . . . 1.65 110.484 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -131.97 134.58 45.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.038 -0.528 . . . . 3.7 110.616 -176.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.436 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 3.7 p -66.47 -29.77 69.97 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.671 -0.695 . . . . 1.52 111.743 -175.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.29 -31.73 71.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.875 0.369 . . . . 2.15 110.418 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -68.42 -39.98 81.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.248 -0.433 . . . . 2.28 109.852 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 46.5 tp -64.44 -45.28 88.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.864 -0.607 . . . . 1.07 110.728 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -60.72 -49.16 78.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.047 0.451 . . . . 3.01 110.457 177.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.6 ttt-85 -56.34 -43.96 79.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.576 -0.738 . . . . 3.23 109.93 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -60.76 -47.11 87.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.534 -0.757 . . . . 0.28 110.679 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -60.14 -22.49 62.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.74 0.305 . . . . 2.36 111.326 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -70.77 -6.32 36.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.321 -0.4 . . . . 3.39 111.351 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.6 p -83.39 -32.26 26.27 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.542 -0.54 . . . . 1.73 109.542 171.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -81.24 -13.89 58.05 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.616 0.722 . . . . 0.4 109.287 174.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.5 p 54.21 51.73 13.9 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 114.032 -1.44 . . . . 2.64 111.678 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.43 144.28 47.55 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.344 -0.844 . . . . 3.5 111.404 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -82.04 103.02 11.37 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.146 0.498 . . . . 6.58 110.979 -172.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -109.34 -70.95 0.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.616 -0.72 . . . . 8.79 109.882 176.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 116.184 -0.462 . . . . 6.91 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo . . . . . 0 N--CA 1.462 -0.33 0 CA-C-O 120.831 0.263 . . . . 0.63 111.826 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.618 ' CE2' ' HB3' ' A' ' 16' ' ' SER . 98.3 m-85 . . . . . 0 C--N 1.32 -0.691 0 CA-C-O 121.408 0.623 . . . . 0.25 109.372 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.652 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 50.4 t . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 108.988 -0.745 . . . . 0.33 108.988 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.0 m -143.11 54.21 1.37 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.852 0.834 . . . . 1.31 109.633 176.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.47 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 33.5 t-105 . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 115.346 -0.843 . . . . 0.82 109.505 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 7' ' ' TRP . 35.2 t . . . . . 0 C--O 1.233 0.221 0 N-CA-C 109.993 -0.373 . . . . 0.41 109.993 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.652 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -136.26 51.12 0.82 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.252 -0.975 . . . . 0.3 113.923 -173.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -72.29 135.56 46.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.974 0.387 . . . . 2.05 110.393 175.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -101.07 133.02 46.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.839 0.352 . . . . 3.36 110.904 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -122.63 151.29 41.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.896 -0.593 . . . . 0.22 110.353 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.8 m -91.65 -15.04 29.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.019 -0.537 . . . . 0.95 110.179 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.419 ' HB3' ' OD2' ' A' ' 17' ' ' ASP . 43.0 mtp180 -119.59 131.56 55.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.571 0.701 . . . . 3.12 111.209 -177.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.618 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 3.1 p -65.42 -34.79 79.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.901 -1.045 . . . . 1.22 111.535 -177.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.428 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 6.5 p-10 -70.69 -30.7 67.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.969 -0.56 . . . . 2.15 110.278 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -73.84 -37.01 64.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.329 -0.396 . . . . 2.28 110.342 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.449 HD22 ' HB3' ' A' ' 3' ' ' PHE . 56.4 tp -63.5 -42.97 98.5 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.765 -0.457 . . . . 0.17 109.765 172.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -56.98 -51.4 69.36 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.109 -0.496 . . . . 2.5 110.826 176.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.503 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 35.3 mtp180 -57.9 -45.4 86.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.028 -0.533 . . . . 2.78 110.043 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -56.84 -46.8 81.49 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.257 -0.429 . . . . 0.21 110.475 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -61.86 -25.45 67.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.931 -0.577 . . . . 1.93 111.279 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.503 ' HB3' ' O ' ' A' ' 21' ' ' ARG . 60.1 ttt180 -60.73 -22.43 63.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.819 0.343 . . . . 2.84 110.854 177.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.62 -19.75 48.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 1.28 110.794 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 121.078 0.466 . . . . 0.4 110.017 177.688 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo . . . . . 0 N--CA 1.457 -0.633 0 CA-C-O 121.058 0.357 . . . . 0.63 111.939 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.506 ' HB3' HD22 ' A' ' 19' ' ' LEU . 98.8 m-85 . . . . . 0 C--N 1.319 -0.734 0 CA-C-N 115.859 -0.609 . . . . 0.25 109.48 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.452 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 13.1 t . . . . . 0 N--CA 1.45 -0.434 0 CA-C-O 120.841 0.353 . . . . 0.33 110.29 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.5 p -118.74 24.24 10.98 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.182 -0.463 . . . . 1.31 110.972 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 . . . . . 0 C--N 1.324 -0.509 0 CA-C-O 121.439 0.637 . . . . 0.82 109.395 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 39.6 t . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.334 -0.247 . . . . 0.41 110.334 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -153.8 59.84 0.39 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.832 -0.699 . . . . 0.3 112.77 -177.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -82.08 148.41 28.58 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.367 -0.234 . . . . 2.05 110.367 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -110.36 141.03 43.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.854 0.359 . . . . 3.36 110.99 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -128.75 153.23 47.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.765 -0.652 . . . . 0.22 109.943 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.42 -0.84 54.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.988 0.423 . . . . 0.95 111.174 177.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.46 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 75.8 mtp180 -131.74 132.69 44.06 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.022 -0.535 . . . . 3.12 110.188 -177.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 p -67.31 -35.87 80.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.699 -0.682 . . . . 1.22 111.515 -175.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.15 -33.62 76.45 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.084 0.469 . . . . 2.15 109.981 176.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.46 ' CG ' ' HB2' ' A' ' 15' ' ' ARG . 6.5 mm-40 -66.49 -46.62 75.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.507 -0.769 . . . . 2.28 110.442 178.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 3' ' ' PHE . 49.8 tp -64.34 -45.77 86.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.17 111.132 178.114 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.419 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 7.1 tp60 -63.01 -41.02 99.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.042 0.448 . . . . 2.5 110.526 -178.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -63.02 -44.35 96.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.993 -0.549 . . . . 2.78 109.662 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -55.72 -44.17 77.23 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.67 -0.696 . . . . 0.21 110.266 176.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.96 -31.73 72.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.332 -0.395 . . . . 1.93 110.747 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -66.54 -13.7 61.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.072 0.463 . . . . 2.84 110.287 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.8 m -84.32 -20.38 32.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.936 0.398 . . . . 1.28 110.181 177.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 . . . . . 0 C--N 1.331 -0.201 0 N-CA-C 109.691 -0.485 . . . . 0.4 109.691 174.297 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo . . . . . 0 N--CA 1.455 -0.743 0 CA-C-O 121.415 0.506 . . . . 0.63 112.961 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.432 ' HB3' HD22 ' A' ' 19' ' ' LEU . 96.6 m-85 . . . . . 0 C--N 1.319 -0.758 0 CA-C-N 115.392 -0.822 . . . . 0.25 108.81 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.5 t . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.704 0.288 . . . . 0.33 110.743 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.6 p -110.83 24.16 13.28 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.255 0.465 . . . . 1.31 112.255 -176.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.403 ' O ' ' HB3' ' A' ' 9' ' ' CYS . 30.6 t-105 . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 121.055 0.455 . . . . 0.82 110.63 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 51.6 t . . . . . 0 N--CA 1.447 -0.599 0 N-CA-C 109.502 -0.555 . . . . 0.41 109.502 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.65 45.84 0.56 Allowed Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.48 -0.867 . . . . 0.3 112.398 -176.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -69.17 132.18 46.13 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.822 -0.436 . . . . 2.05 109.822 177.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -103.7 140.72 37.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.964 0.411 . . . . 3.36 110.346 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -125.85 153.32 44.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.916 -0.584 . . . . 0.22 110.042 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.1 p -93.04 -0.37 57.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.948 0.404 . . . . 0.95 110.953 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.4 ' HD2' HH11 ' A' ' 15' ' ' ARG . 11.3 mmt180 -137.39 134.52 36.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.112 -0.494 . . . . 3.12 109.904 -179.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.526 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 32.8 t -63.83 -36.8 85.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.57 -0.741 . . . . 1.22 110.829 -177.147 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -65.78 -34.27 77.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.43 -0.35 . . . . 2.15 110.964 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -63.89 -47.65 79.8 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.852 -0.425 . . . . 2.28 109.852 174.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.432 HD22 ' HB3' ' A' ' 3' ' ' PHE . 51.9 tp -63.95 -39.34 93.92 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 115.811 -0.631 . . . . 0.17 111.116 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 16' ' ' SER . 78.5 mt-30 -62.91 -44.59 95.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.899 0.381 . . . . 2.5 110.539 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.6 ttp-105 -60.08 -47.93 83.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 2.78 109.824 176.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -59.56 -45.59 91.39 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.742 -0.663 . . . . 0.21 110.662 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -54.73 -32.7 60.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.74 -0.664 . . . . 1.93 110.691 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -73.85 0.57 12.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 2.84 111.964 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.5 p -80.51 -31.51 37.12 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.314 -0.624 . . . . 1.28 109.314 171.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.625 -0.716 . . . . 0.4 109.647 179.034 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 N--CA 1.461 -0.429 0 CA-C-O 121.184 0.41 . . . . 0.63 112.601 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.5 ' CE2' ' HB3' ' A' ' 16' ' ' SER . 96.7 m-85 . . . . . 0 C--N 1.319 -0.721 0 CA-C-N 115.528 -0.76 . . . . 0.25 109.219 178.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.545 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 29.0 t . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.931 -0.396 . . . . 0.33 109.931 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.7 p -131.97 51.99 2.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.24 0.543 . . . . 1.31 111.091 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 39.4 t-105 . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 115.913 -0.585 . . . . 0.82 109.896 179.794 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.1 t . . . . . 0 N--CA 1.449 -0.507 0 N-CA-C 109.419 -0.586 . . . . 0.41 109.419 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.545 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -146.65 56.97 0.51 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.313 -0.946 . . . . 0.3 113.366 -175.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -70.44 141.35 52.09 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.747 -0.464 . . . . 2.05 109.747 174.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -102.33 135.5 43.82 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.97 0.414 . . . . 3.36 110.646 -177.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -123.37 150.69 43.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.918 -0.583 . . . . 0.22 110.517 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -80.77 -26.98 36.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.819 -0.628 . . . . 0.95 110.738 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 -128.6 144.51 51.17 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.554 0.693 . . . . 3.12 111.14 -175.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.5 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 7.3 p -64.23 -34.3 77.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.0 -1.0 . . . . 1.22 112.02 -174.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -64.22 -32.86 74.6 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.828 0.347 . . . . 2.15 110.798 178.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.98 -40.48 71.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.024 -0.534 . . . . 2.28 109.948 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.464 HD22 ' HB3' ' A' ' 3' ' ' PHE . 51.1 tp -64.31 -45.63 87.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.5 . . . . 0.17 110.451 175.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.455 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 56.0 tp60 -59.03 -46.59 87.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.065 0.46 . . . . 2.5 110.227 178.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -54.78 -50.29 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.653 -0.703 . . . . 2.78 110.082 176.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -58.51 -47.36 84.38 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.519 -0.764 . . . . 0.21 110.795 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -58.4 -28.5 65.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.58 -0.282 . . . . 1.93 111.533 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 25.2 mtm180 -70.25 -5.56 28.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.514 -0.312 . . . . 2.84 111.546 -178.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.7 p -81.31 -34.17 32.08 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.82 -0.437 . . . . 1.28 109.82 172.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 . . . . . 0 CA--C 1.518 -0.253 0 CA-C-N 116.11 -0.496 . . . . 0.4 110.089 179.171 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo . . . . . 0 N--CA 1.455 -0.757 0 CA-C-O 120.91 0.296 . . . . 0.63 111.424 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.506 ' HB3' HD22 ' A' ' 19' ' ' LEU . 96.1 m-85 . . . . . 0 C--N 1.315 -0.933 0 CA-C-N 115.95 -0.568 . . . . 0.25 109.687 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.414 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 35.5 t . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.769 0.318 . . . . 0.33 110.254 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.6 p -137.31 54.98 1.82 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.098 0.475 . . . . 1.31 110.944 -177.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.224 -0.444 . . . . 0.82 110.209 -179.566 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.2 t . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.894 -0.41 . . . . 0.41 109.894 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -156.44 64.96 0.31 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.331 -0.938 . . . . 0.3 113.722 -175.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -73.15 145.64 46.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.119 -0.326 . . . . 2.05 110.119 172.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -106.38 122.89 47.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.901 0.382 . . . . 3.36 110.795 -178.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -114.36 151.83 32.43 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.136 -0.484 . . . . 0.22 110.508 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.3 m -93.12 -5.92 49.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.565 0.698 . . . . 0.95 110.011 178.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -129.15 130.8 46.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.679 -0.692 . . . . 3.12 110.41 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.48 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 4.9 p -63.8 -32.87 74.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.492 -0.777 . . . . 1.22 110.911 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -64.84 -33.81 76.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.911 -0.586 . . . . 2.15 110.443 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -75.92 -31.58 59.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.105 -0.498 . . . . 2.28 110.716 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 3' ' ' PHE . 54.2 tp -68.31 -44.1 76.16 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.744 -0.382 . . . . 0.17 110.511 174.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.446 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 47.9 mt-30 -64.14 -42.84 96.65 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.163 0.506 . . . . 2.5 109.959 176.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -51.6 -52.1 50.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.159 -0.928 . . . . 2.78 109.651 173.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -56.47 -50.22 72.36 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.321 -0.854 . . . . 0.21 110.85 177.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.7 -18.76 56.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.206 -0.452 . . . . 1.93 111.889 -175.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 64.9 mtp180 -64.05 -16.41 61.65 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.679 0.276 . . . . 2.84 111.02 176.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.5 p -77.99 -25.62 48.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.963 0.411 . . . . 1.28 110.419 175.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.4 109.723 177.729 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo . . . . . 0 N--CA 1.461 -0.424 0 CA-C-O 121.139 0.391 . . . . 0.63 111.987 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.456 ' HB3' HD22 ' A' ' 19' ' ' LEU . 98.8 m-85 . . . . . 0 C--N 1.318 -0.801 0 CA-C-N 115.603 -0.726 . . . . 0.25 109.101 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.46 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 41.5 t . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.502 -0.555 . . . . 0.33 109.502 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.0 p -121.38 36.06 4.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.134 0.492 . . . . 1.31 111.088 -178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 14.0 t-105 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.167 -0.47 . . . . 0.82 110.395 -178.284 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.451 -0.415 0 N-CA-C 109.258 -0.645 . . . . 0.41 109.258 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -142.53 60.91 0.53 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.338 -0.934 . . . . 0.3 113.468 -174.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HD2' ' CE1' ' A' ' 22' ' ' HIS . 68.6 mttm -77.55 137.55 38.67 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.622 -0.51 . . . . 2.05 109.622 173.232 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 12' ' ' ARG . 62.0 mtt180 -100.23 132.51 45.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.03 0.443 . . . . 3.36 111.039 -179.012 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -123.55 153.92 39.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.897 -0.592 . . . . 0.22 110.025 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -94.12 -0.35 55.35 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.256 0.55 . . . . 0.95 110.638 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -137.29 136.31 37.91 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.07 -0.514 . . . . 3.12 110.426 -177.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.443 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 9.2 p -67.68 -33.83 75.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.005 -0.543 . . . . 1.22 110.818 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.27 -33.51 75.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.886 -0.597 . . . . 2.15 110.599 176.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -75.31 -34.9 61.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.075 -0.511 . . . . 2.28 110.525 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.456 HD22 ' HB3' ' A' ' 3' ' ' PHE . 50.5 tp -65.78 -46.82 77.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.444 -0.344 . . . . 0.17 110.343 174.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.404 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 62.8 tt0 -59.05 -47.14 86.32 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.353 0.597 . . . . 2.5 109.889 176.51 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -52.54 -50.03 63.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.852 -1.067 . . . . 2.78 110.281 175.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.408 ' CE1' ' HD2' ' A' ' 11' ' ' LYS . 50.1 t60 -59.94 -44.2 94.53 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.965 -0.562 . . . . 0.21 110.95 178.161 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -61.17 -21.15 63.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.697 0.284 . . . . 1.93 111.192 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 79.9 mtp180 -67.78 -4.42 12.41 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.428 -0.351 . . . . 2.84 111.259 176.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.1 p -86.68 -28.68 23.0 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.182 0.515 . . . . 1.28 109.861 173.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.209 -0.663 . . . . 0.4 109.209 176.802 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo . . . . . 0 N--CA 1.462 -0.356 0 CA-C-O 121.086 0.369 . . . . 0.63 112.292 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 . . . . . 0 C--N 1.32 -0.698 0 N-CA-C 109.14 -0.689 . . . . 0.25 109.14 178.541 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.635 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 46.1 t . . . . . 0 N--CA 1.448 -0.542 0 N-CA-C 109.533 -0.543 . . . . 0.33 109.533 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.5 p -131.84 50.12 2.26 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.077 0.465 . . . . 1.31 110.697 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.4 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 35.7 t-105 . . . . . 0 C--N 1.327 -0.385 0 CA-C-O 121.091 0.472 . . . . 0.82 110.294 -177.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 7' ' ' TRP . 19.4 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.702 -0.481 . . . . 0.41 109.702 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.635 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -125.9 46.46 1.08 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.87 -0.681 . . . . 0.3 113.222 -175.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -71.39 128.59 36.38 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.664 -0.495 . . . . 2.05 109.664 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -105.24 147.27 28.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.123 0.487 . . . . 3.36 111.733 -174.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -132.24 157.36 44.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.576 -0.738 . . . . 0.22 110.921 -176.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.9 p -98.19 -1.22 42.62 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.145 -0.479 . . . . 0.95 111.158 177.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.422 ' HB2' ' HG2' ' A' ' 18' ' ' GLU . 40.0 mtm180 -135.66 138.9 43.29 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.001 0.429 . . . . 3.12 110.354 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.9 t -62.71 -32.83 74.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.681 -0.69 . . . . 1.22 110.008 176.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.24 -43.89 88.0 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.927 -0.579 . . . . 2.15 110.305 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.422 ' HG2' ' HB2' ' A' ' 15' ' ' ARG . 70.7 mm-40 -64.66 -44.41 90.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.621 -0.718 . . . . 2.28 110.495 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.5 tp -64.32 -39.55 94.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.17 110.812 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -62.17 -49.13 77.06 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.124 0.488 . . . . 2.5 110.454 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 99.1 mtt180 -58.92 -45.09 91.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.668 -0.696 . . . . 2.78 109.924 178.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -61.67 -42.92 99.58 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.649 -0.705 . . . . 0.21 110.98 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -54.26 -29.81 48.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.648 -0.251 . . . . 1.93 111.169 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 21' ' ' ARG . 99.8 mtt180 -61.34 -22.67 65.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.346 -0.388 . . . . 2.84 111.687 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.2 p -72.28 -28.06 62.87 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 120.929 0.395 . . . . 1.28 110.33 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.024 -0.534 . . . . 0.4 110.567 179.157 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 N--CA 1.458 -0.602 0 N-CA-C 111.321 -0.3 . . . . 0.63 111.321 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.474 ' HB3' HD22 ' A' ' 19' ' ' LEU . 99.6 m-85 . . . . . 0 C--N 1.316 -0.849 0 N-CA-C 109.234 -0.654 . . . . 0.25 109.234 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.558 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 41.0 t . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 109.601 -0.518 . . . . 0.33 109.601 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.4 p -127.18 46.74 2.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.195 0.521 . . . . 1.31 110.981 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 14.2 t-105 . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 116.041 -0.527 . . . . 0.82 110.43 -177.686 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.2 t . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 109.48 -0.563 . . . . 0.41 109.48 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.558 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -131.77 61.48 0.66 Allowed Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.69 -0.767 . . . . 0.3 112.674 -175.077 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -85.6 133.34 34.06 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.587 -0.523 . . . . 2.05 109.587 177.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 74.9 mtt85 -100.58 135.19 42.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.572 -0.285 . . . . 3.36 111.357 -175.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -122.36 150.72 42.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.175 -0.466 . . . . 0.22 110.63 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -89.17 -14.52 35.91 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.824 -0.625 . . . . 0.95 110.37 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -131.45 135.52 47.2 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.441 0.638 . . . . 3.12 110.944 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.9 t -64.42 -32.0 73.45 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.166 -0.925 . . . . 1.22 111.17 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.34 -33.86 76.82 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.334 -0.394 . . . . 2.15 110.428 176.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -75.77 -34.83 60.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.95 -0.568 . . . . 2.28 110.729 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 3' ' ' PHE . 60.7 tp -63.87 -46.64 84.04 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.777 -0.369 . . . . 0.17 110.286 174.279 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -62.42 -43.92 97.67 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.129 0.49 . . . . 2.5 110.277 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -51.42 -54.1 30.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.149 -0.932 . . . . 2.78 109.801 174.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.492 ' O ' HG22 ' A' ' 25' ' ' THR . 46.8 t60 -57.23 -44.8 84.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.199 -0.91 . . . . 0.21 111.12 178.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 19' ' ' LEU . 33.7 mmtp -56.46 -28.92 60.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.565 -0.289 . . . . 1.93 111.48 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -66.11 -8.22 22.42 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.475 -0.33 . . . . 2.84 111.719 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 22' ' ' HIS . 1.5 t -83.99 -28.0 28.05 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.658 -0.497 . . . . 1.28 109.658 175.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 109.533 -0.543 . . . . 0.4 109.533 178.321 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 N--CA 1.458 -0.616 0 N-CA-C 111.151 -0.365 . . . . 0.63 111.151 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 . . . . . 0 C--N 1.319 -0.755 0 CA-C-O 121.334 0.588 . . . . 0.25 110.202 -177.015 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.8 t . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 120.9 0.381 . . . . 0.33 109.974 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.2 p -118.5 30.65 7.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.124 -0.489 . . . . 1.31 111.365 -176.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 . . . . . 0 C--N 1.321 -0.632 0 N-CA-C 109.469 -0.567 . . . . 0.82 109.469 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.9 t . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 120.808 0.337 . . . . 0.41 110.325 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.71 51.99 0.59 Allowed Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.961 -0.638 . . . . 0.3 112.434 -178.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -67.54 142.86 56.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.666 0.27 . . . . 2.05 110.505 174.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -108.65 130.83 55.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.287 -0.415 . . . . 3.36 110.848 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -117.75 168.12 10.75 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.545 -0.752 . . . . 0.22 110.202 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 p -99.72 -16.58 18.1 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.074 0.398 . . . . 0.95 112.074 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.426 ' HB2' ' HG3' ' A' ' 18' ' ' GLU . 69.7 mtp180 -132.83 143.55 49.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.038 0.447 . . . . 3.12 110.281 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.7 m -58.04 -33.03 68.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.637 -0.711 . . . . 1.22 111.386 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.63 -36.24 82.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.437 -0.347 . . . . 2.15 110.68 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.426 ' HG3' ' HB2' ' A' ' 15' ' ' ARG . 51.1 mt-10 -61.08 -46.55 90.17 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.342 0.592 . . . . 2.28 109.511 176.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.6 tp -66.55 -43.14 85.88 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.028 -0.987 . . . . 0.17 111.145 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -63.56 -45.89 88.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.797 0.332 . . . . 2.5 111.011 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -58.38 -45.02 89.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.818 -0.628 . . . . 2.78 109.746 175.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -57.81 -47.72 81.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.797 -0.638 . . . . 0.21 110.535 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -57.87 -25.91 61.39 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.28 -0.418 . . . . 1.93 111.843 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -62.53 -26.7 68.7 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.836 -0.346 . . . . 2.84 110.891 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.2 p -73.27 -25.66 60.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.924 0.393 . . . . 1.28 110.831 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 . . . . . 0 CA--C 1.519 -0.239 0 CA-C-O 121.174 0.511 . . . . 0.4 109.71 175.096 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo . . . . . 0 C--O 1.236 0.407 0 CA-C-O 121.16 0.4 . . . . 0.63 112.015 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.502 ' HB3' HD22 ' A' ' 19' ' ' LEU . 91.1 m-85 . . . . . 0 C--N 1.319 -0.757 0 CA-C-N 115.71 -0.677 . . . . 0.25 109.7 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.457 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 37.1 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.02 -0.363 . . . . 0.33 110.02 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 p -108.81 19.95 19.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.276 -0.42 . . . . 1.31 111.787 -176.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 . . . . . 0 C--N 1.325 -0.488 0 CA-C-O 121.018 0.437 . . . . 0.82 110.096 -178.87 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.2 t . . . . . 0 N--CA 1.45 -0.463 0 N-CA-C 109.855 -0.424 . . . . 0.41 109.855 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -149.51 43.53 0.76 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.645 -0.788 . . . . 0.3 112.892 -177.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -61.69 143.47 56.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.747 0.308 . . . . 2.05 111.014 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 -100.79 142.09 32.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 3.36 110.534 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -131.85 147.08 52.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.878 -0.601 . . . . 0.22 109.999 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.4 m -85.31 -13.18 50.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.301 0.572 . . . . 0.95 110.484 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -131.97 134.58 45.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.038 -0.528 . . . . 3.12 110.616 -176.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.443 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 3.7 p -66.47 -29.77 69.97 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.671 -0.695 . . . . 1.22 111.743 -175.293 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.29 -31.73 71.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.875 0.369 . . . . 2.15 110.418 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -68.42 -39.98 81.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.248 -0.433 . . . . 2.28 109.852 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.502 HD22 ' HB3' ' A' ' 3' ' ' PHE . 46.5 tp -64.44 -45.28 88.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.864 -0.607 . . . . 0.17 110.728 176.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -60.72 -49.16 78.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.047 0.451 . . . . 2.5 110.457 177.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.6 ttt-85 -56.34 -43.96 79.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.576 -0.738 . . . . 2.78 109.93 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -60.76 -47.11 87.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.534 -0.757 . . . . 0.21 110.679 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -60.14 -22.49 62.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.74 0.305 . . . . 1.93 111.326 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -70.77 -6.32 36.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.321 -0.4 . . . . 2.84 111.351 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.6 p -83.39 -32.26 26.27 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.542 -0.54 . . . . 1.28 109.542 171.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.616 0.722 . . . . 0.4 109.287 174.998 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 109.814 -0.439 . . . . 4.3 109.814 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -77.29 159.94 32.84 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.342 2.028 . . . . 0.63 111.826 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.618 ' CE2' ' HB3' ' A' ' 16' ' ' SER . 98.3 m-85 -92.79 83.06 4.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.408 0.623 . . . . 0.25 109.372 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.652 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 50.4 t -76.01 146.02 39.82 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.988 -0.745 . . . . 0.33 108.988 172.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.0 m -143.11 54.21 1.37 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.852 0.834 . . . . 1.31 109.633 176.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.47 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 33.5 t-105 . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 115.346 -0.843 . . . . 0.82 109.505 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 7' ' ' TRP . 35.2 t -63.12 119.2 9.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.864 -0.607 . . . . 0.41 109.993 176.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.652 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -136.26 51.12 0.82 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.252 -0.975 . . . . 0.3 113.923 -173.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -72.29 135.56 46.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.974 0.387 . . . . 2.05 110.393 175.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -101.07 133.02 46.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.839 0.352 . . . . 3.36 110.904 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -122.63 151.29 41.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.896 -0.593 . . . . 0.22 110.353 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.8 m -91.65 -15.04 29.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.019 -0.537 . . . . 0.95 110.179 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.419 ' HB3' ' OD2' ' A' ' 17' ' ' ASP . 43.0 mtp180 -119.59 131.56 55.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.571 0.701 . . . . 3.12 111.209 -177.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.618 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 3.1 p -65.42 -34.79 79.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.901 -1.045 . . . . 1.22 111.535 -177.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.428 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 6.5 p-10 -70.69 -30.7 67.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.969 -0.56 . . . . 2.15 110.278 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -73.84 -37.01 64.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.329 -0.396 . . . . 2.28 110.342 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.449 HD22 ' HB3' ' A' ' 3' ' ' PHE . 56.4 tp -63.5 -42.97 98.5 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.765 -0.457 . . . . 0.17 109.765 172.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -56.98 -51.4 69.36 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.109 -0.496 . . . . 2.5 110.826 176.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.503 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 35.3 mtp180 -57.9 -45.4 86.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.028 -0.533 . . . . 2.78 110.043 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -56.84 -46.8 81.49 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.257 -0.429 . . . . 0.21 110.475 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -61.86 -25.45 67.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.931 -0.577 . . . . 1.93 111.279 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.503 ' HB3' ' O ' ' A' ' 21' ' ' ARG . 60.1 ttt180 -60.73 -22.43 63.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.819 0.343 . . . . 2.84 110.854 177.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.62 -19.75 48.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 1.28 110.794 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -92.8 -44.43 8.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.078 0.466 . . . . 0.4 110.017 177.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.5 t -153.17 158.1 41.29 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.908 -0.587 . . . . 2.22 110.31 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.22 -24.97 27.6 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.832 -0.699 . . . . 3.5 111.59 -177.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -144.77 132.48 21.11 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.89 -0.411 . . . . 6.58 109.89 176.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -118.57 -78.61 0.59 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.672 -0.492 . . . . 8.46 109.672 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.711 0 CA-C-N 116.485 -0.325 . . . . 6.36 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 . . . . . 0 N--CA 1.477 0.895 0 CA-C-O 120.616 0.246 . . . . 4.3 110.391 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -77.46 133.41 13.06 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.965 1.777 . . . . 0.63 111.939 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.506 ' HB3' HD22 ' A' ' 19' ' ' LEU . 98.8 m-85 -85.13 92.77 8.47 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.859 -0.609 . . . . 0.25 109.48 -179.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.452 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 13.1 t -73.48 137.23 44.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.503 -0.771 . . . . 0.33 110.29 174.171 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.5 p -118.74 24.24 10.98 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.182 -0.463 . . . . 1.31 110.972 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 . . . . . 0 C--N 1.324 -0.509 0 CA-C-O 121.439 0.637 . . . . 0.82 109.395 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 39.6 t -84.83 134.07 34.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.425 -0.352 . . . . 0.41 110.334 -178.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -153.8 59.84 0.39 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.832 -0.699 . . . . 0.3 112.77 -177.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -82.08 148.41 28.58 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.367 -0.234 . . . . 2.05 110.367 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -110.36 141.03 43.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.854 0.359 . . . . 3.36 110.99 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -128.75 153.23 47.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.765 -0.652 . . . . 0.22 109.943 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.42 -0.84 54.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.988 0.423 . . . . 0.95 111.174 177.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.46 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 75.8 mtp180 -131.74 132.69 44.06 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.022 -0.535 . . . . 3.12 110.188 -177.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 p -67.31 -35.87 80.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.699 -0.682 . . . . 1.22 111.515 -175.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.15 -33.62 76.45 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.084 0.469 . . . . 2.15 109.981 176.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.46 ' CG ' ' HB2' ' A' ' 15' ' ' ARG . 6.5 mm-40 -66.49 -46.62 75.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.507 -0.769 . . . . 2.28 110.442 178.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 3' ' ' PHE . 49.8 tp -64.34 -45.77 86.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.17 111.132 178.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.419 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 7.1 tp60 -63.01 -41.02 99.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.042 0.448 . . . . 2.5 110.526 -178.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -63.02 -44.35 96.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.993 -0.549 . . . . 2.78 109.662 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -55.72 -44.17 77.23 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.67 -0.696 . . . . 0.21 110.266 176.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.96 -31.73 72.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.332 -0.395 . . . . 1.93 110.747 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -66.54 -13.7 61.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.072 0.463 . . . . 2.84 110.287 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.8 m -84.32 -20.38 32.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.936 0.398 . . . . 1.28 110.181 177.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -85.96 -39.32 17.03 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.691 -0.485 . . . . 0.4 109.691 174.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.0 p -85.01 1.78 46.06 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.788 -0.642 . . . . 2.22 111.205 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.78 136.38 13.62 Favored Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 111.413 -0.675 . . . . 3.5 111.413 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -78.92 142.28 36.87 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.906 0.384 . . . . 6.58 110.688 -178.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -121.48 89.23 3.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.096 0.474 . . . . 8.46 110.049 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 116.177 -0.465 . . . . 6.36 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 109.567 -0.531 . . . . 4.3 109.567 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -84.22 158.26 13.11 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 122.296 1.997 . . . . 0.63 112.961 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.432 ' HB3' HD22 ' A' ' 19' ' ' LEU . 96.6 m-85 -99.23 91.04 4.79 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.392 -0.822 . . . . 0.25 108.81 176.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' NLE . . . . . 0.475 ' HA ' ' HA ' ' A' ' 12' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.5 t -64.94 135.14 55.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.402 -0.817 . . . . 0.33 110.743 175.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.6 p -110.83 24.16 13.28 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.255 0.465 . . . . 1.31 112.255 -176.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.403 ' O ' ' HB3' ' A' ' 9' ' ' CYS . 30.6 t-105 . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 121.055 0.455 . . . . 0.82 110.63 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 51.6 t -72.37 135.4 45.85 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.502 -0.555 . . . . 0.41 109.502 178.03 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.65 45.84 0.56 Allowed Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.48 -0.867 . . . . 0.3 112.398 -176.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -69.17 132.18 46.13 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.822 -0.436 . . . . 2.05 109.822 177.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.475 ' HA ' ' HA ' ' A' ' 4' ' ' NLE . 33.2 ptt180 -103.7 140.72 37.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.964 0.411 . . . . 3.36 110.346 -179.117 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -125.85 153.32 44.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.916 -0.584 . . . . 0.22 110.042 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.1 p -93.04 -0.37 57.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.948 0.404 . . . . 0.95 110.953 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.4 ' HD2' HH11 ' A' ' 15' ' ' ARG . 11.3 mmt180 -137.39 134.52 36.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.112 -0.494 . . . . 3.12 109.904 -179.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.526 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 32.8 t -63.83 -36.8 85.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.57 -0.741 . . . . 1.22 110.829 -177.147 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -65.78 -34.27 77.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.43 -0.35 . . . . 2.15 110.964 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -63.89 -47.65 79.8 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.852 -0.425 . . . . 2.28 109.852 174.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.432 HD22 ' HB3' ' A' ' 3' ' ' PHE . 51.9 tp -63.95 -39.34 93.92 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 115.811 -0.631 . . . . 0.17 111.116 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 16' ' ' SER . 78.5 mt-30 -62.91 -44.59 95.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.899 0.381 . . . . 2.5 110.539 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.6 ttp-105 -60.08 -47.93 83.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 2.78 109.824 176.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -59.56 -45.59 91.39 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.742 -0.663 . . . . 0.21 110.662 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -54.73 -32.7 60.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.74 -0.664 . . . . 1.93 110.691 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -73.85 0.57 12.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 2.84 111.964 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.5 p -80.51 -31.51 37.12 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.314 -0.624 . . . . 1.28 109.314 171.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -95.31 -50.49 5.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.625 -0.716 . . . . 0.4 109.647 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.9 m -97.52 85.44 3.62 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.444 -0.798 . . . . 2.22 110.87 -175.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.41 -80.85 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 111.062 -0.815 . . . . 3.5 111.062 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -120.53 -45.27 2.42 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.621 -0.511 . . . . 6.58 109.621 175.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -90.09 -74.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.845 -0.616 . . . . 8.46 109.889 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 116.293 -0.412 . . . . 6.36 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 109.864 -0.421 . . . . 4.3 109.864 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.97 144.79 34.78 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.277 1.985 . . . . 0.63 112.601 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.5 ' CE2' ' HB3' ' A' ' 16' ' ' SER . 96.7 m-85 -86.91 96.71 10.33 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.528 -0.76 . . . . 0.25 109.219 178.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.545 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 29.0 t -69.56 143.59 53.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.641 -0.709 . . . . 0.33 109.931 173.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.7 p -131.97 51.99 2.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.24 0.543 . . . . 1.31 111.091 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 39.4 t-105 . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 115.913 -0.585 . . . . 0.82 109.896 179.794 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.1 t -66.46 126.62 29.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.496 -0.775 . . . . 0.41 109.419 173.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.545 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -146.65 56.97 0.51 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.313 -0.946 . . . . 0.3 113.366 -175.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -70.44 141.35 52.09 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.747 -0.464 . . . . 2.05 109.747 174.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -102.33 135.5 43.82 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.97 0.414 . . . . 3.36 110.646 -177.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -123.37 150.69 43.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.918 -0.583 . . . . 0.22 110.517 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -80.77 -26.98 36.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.819 -0.628 . . . . 0.95 110.738 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 -128.6 144.51 51.17 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.554 0.693 . . . . 3.12 111.14 -175.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.5 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 7.3 p -64.23 -34.3 77.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.0 -1.0 . . . . 1.22 112.02 -174.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -64.22 -32.86 74.6 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.828 0.347 . . . . 2.15 110.798 178.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.98 -40.48 71.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.024 -0.534 . . . . 2.28 109.948 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.464 HD22 ' HB3' ' A' ' 3' ' ' PHE . 51.1 tp -64.31 -45.63 87.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.5 . . . . 0.17 110.451 175.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.455 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 56.0 tp60 -59.03 -46.59 87.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.065 0.46 . . . . 2.5 110.227 178.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -54.78 -50.29 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.653 -0.703 . . . . 2.78 110.082 176.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -58.51 -47.36 84.38 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.519 -0.764 . . . . 0.21 110.795 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -58.4 -28.5 65.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.58 -0.282 . . . . 1.93 111.533 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 25.2 mtm180 -70.25 -5.56 28.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.514 -0.312 . . . . 2.84 111.546 -178.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.7 p -81.31 -34.17 32.08 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.82 -0.437 . . . . 1.28 109.82 172.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -77.63 -40.7 40.97 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.11 -0.496 . . . . 0.4 110.089 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.5 p -85.57 50.98 2.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.867 -0.606 . . . . 2.22 110.828 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.13 135.12 14.84 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.799 -0.715 . . . . 3.5 111.362 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -68.22 -50.44 54.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.053 0.454 . . . . 6.58 110.168 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -122.03 82.55 1.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.036 -0.529 . . . . 8.46 110.27 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.784 0 CA-C-N 116.091 -0.504 . . . . 6.36 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.686 -0.487 . . . . 4.3 109.686 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -76.02 146.16 28.83 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 121.952 1.768 . . . . 0.63 111.424 173.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.506 ' HB3' HD22 ' A' ' 19' ' ' LEU . 96.1 m-85 -94.5 93.67 7.76 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.95 -0.568 . . . . 0.25 109.687 -178.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.414 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 35.5 t -67.93 148.73 50.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.692 -0.685 . . . . 0.33 110.254 175.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.6 p -137.31 54.98 1.82 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.098 0.475 . . . . 1.31 110.944 -177.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.224 -0.444 . . . . 0.82 110.209 -179.566 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.2 t -67.42 133.33 49.37 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.311 -0.859 . . . . 0.41 109.894 176.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -156.44 64.96 0.31 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.331 -0.938 . . . . 0.3 113.722 -175.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -73.15 145.64 46.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.119 -0.326 . . . . 2.05 110.119 172.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -106.38 122.89 47.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.901 0.382 . . . . 3.36 110.795 -178.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -114.36 151.83 32.43 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.136 -0.484 . . . . 0.22 110.508 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.3 m -93.12 -5.92 49.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.565 0.698 . . . . 0.95 110.011 178.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -129.15 130.8 46.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.679 -0.692 . . . . 3.12 110.41 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.48 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 4.9 p -63.8 -32.87 74.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.492 -0.777 . . . . 1.22 110.911 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -64.84 -33.81 76.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.911 -0.586 . . . . 2.15 110.443 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -75.92 -31.58 59.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.105 -0.498 . . . . 2.28 110.716 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 3' ' ' PHE . 54.2 tp -68.31 -44.1 76.16 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.744 -0.382 . . . . 0.17 110.511 174.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.446 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 47.9 mt-30 -64.14 -42.84 96.65 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.163 0.506 . . . . 2.5 109.959 176.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -51.6 -52.1 50.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.159 -0.928 . . . . 2.78 109.651 173.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -56.47 -50.22 72.36 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.321 -0.854 . . . . 0.21 110.85 177.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.7 -18.76 56.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.206 -0.452 . . . . 1.93 111.889 -175.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 64.9 mtp180 -64.05 -16.41 61.65 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.679 0.276 . . . . 2.84 111.02 176.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 80.5 p -77.99 -25.62 48.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.963 0.411 . . . . 1.28 110.419 175.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -86.93 -55.5 3.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.4 109.723 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.1 p -80.62 102.24 9.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.246 -0.434 . . . . 2.22 110.49 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.68 -19.81 35.41 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.885 -0.674 . . . . 3.5 111.608 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 25' ' ' THR . 37.6 tt0 60.33 32.62 20.75 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.507 0.67 . . . . 6.58 111.015 178.195 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -109.25 -79.98 0.58 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.28 -0.418 . . . . 8.46 110.339 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.599 0 CA-C-N 116.705 -0.225 . . . . 6.36 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 109.887 -0.412 . . . . 4.3 109.887 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -78.27 163.88 27.2 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.272 1.981 . . . . 0.63 111.987 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.456 ' HB3' HD22 ' A' ' 19' ' ' LEU . 98.8 m-85 -97.48 92.68 6.06 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.603 -0.726 . . . . 0.25 109.101 176.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.46 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 41.5 t -65.68 136.84 56.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.928 -0.578 . . . . 0.33 109.502 174.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.0 p -121.38 36.06 4.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.134 0.492 . . . . 1.31 111.088 -178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 14.0 t-105 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.167 -0.47 . . . . 0.82 110.395 -178.284 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.0 t -66.19 125.14 24.62 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.77 -0.65 . . . . 0.41 109.258 172.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -142.53 60.91 0.53 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.338 -0.934 . . . . 0.3 113.468 -174.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HD2' ' CE1' ' A' ' 22' ' ' HIS . 68.6 mttm -77.55 137.55 38.67 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.622 -0.51 . . . . 2.05 109.622 173.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 12' ' ' ARG . 62.0 mtt180 -100.23 132.51 45.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.03 0.443 . . . . 3.36 111.039 -179.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -123.55 153.92 39.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.897 -0.592 . . . . 0.22 110.025 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -94.12 -0.35 55.35 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.256 0.55 . . . . 0.95 110.638 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -137.29 136.31 37.91 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.07 -0.514 . . . . 3.12 110.426 -177.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.443 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 9.2 p -67.68 -33.83 75.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.005 -0.543 . . . . 1.22 110.818 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.27 -33.51 75.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.886 -0.597 . . . . 2.15 110.599 176.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -75.31 -34.9 61.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.075 -0.511 . . . . 2.28 110.525 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.456 HD22 ' HB3' ' A' ' 3' ' ' PHE . 50.5 tp -65.78 -46.82 77.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.444 -0.344 . . . . 0.17 110.343 174.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.404 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 62.8 tt0 -59.05 -47.14 86.32 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.353 0.597 . . . . 2.5 109.889 176.51 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -52.54 -50.03 63.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.852 -1.067 . . . . 2.78 110.281 175.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.408 ' CE1' ' HD2' ' A' ' 11' ' ' LYS . 50.1 t60 -59.94 -44.2 94.53 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.965 -0.562 . . . . 0.21 110.95 178.161 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -61.17 -21.15 63.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.697 0.284 . . . . 1.93 111.192 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 79.9 mtp180 -67.78 -4.42 12.41 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.428 -0.351 . . . . 2.84 111.259 176.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.1 p -86.68 -28.68 23.0 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.182 0.515 . . . . 1.28 109.861 173.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -81.62 -46.98 13.61 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.209 -0.663 . . . . 0.4 109.209 176.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.8 m -106.23 66.65 0.71 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.727 0.775 . . . . 2.22 109.508 176.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.47 161.42 33.89 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.347 -0.842 . . . . 3.5 112.396 -177.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -87.3 78.98 8.65 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.499 -0.556 . . . . 6.58 109.499 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -132.52 96.64 3.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.309 0.576 . . . . 8.46 110.08 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.777 0 CA-C-N 116.041 -0.527 . . . . 6.36 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 110.104 -0.332 . . . . 4.3 110.104 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.05 166.48 27.84 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.506 2.138 . . . . 0.63 112.292 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -88.9 84.75 6.64 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.14 -0.689 . . . . 0.25 109.14 178.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' NLE . . . . . 0.556 ' HA ' ' HA ' ' A' ' 12' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.635 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 46.1 t -70.84 142.11 51.26 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.792 -0.64 . . . . 0.33 109.533 173.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.5 p -131.84 50.12 2.26 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.077 0.465 . . . . 1.31 110.697 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.4 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 35.7 t-105 . . . . . 0 C--N 1.327 -0.385 0 CA-C-O 121.091 0.472 . . . . 0.82 110.294 -177.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 7' ' ' TRP . 19.4 t -65.96 115.76 6.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.851 -0.613 . . . . 0.41 109.702 175.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.635 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -125.9 46.46 1.08 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.87 -0.681 . . . . 0.3 113.222 -175.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -71.39 128.59 36.38 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.664 -0.495 . . . . 2.05 109.664 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.556 ' HA ' ' HA ' ' A' ' 4' ' ' NLE . 37.3 ptt180 -105.24 147.27 28.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.123 0.487 . . . . 3.36 111.733 -174.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -132.24 157.36 44.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.576 -0.738 . . . . 0.22 110.921 -176.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.9 p -98.19 -1.22 42.62 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.145 -0.479 . . . . 0.95 111.158 177.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.422 ' HB2' ' HG2' ' A' ' 18' ' ' GLU . 40.0 mtm180 -135.66 138.9 43.29 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.001 0.429 . . . . 3.12 110.354 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.9 t -62.71 -32.83 74.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.681 -0.69 . . . . 1.22 110.008 176.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.24 -43.89 88.0 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.927 -0.579 . . . . 2.15 110.305 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.422 ' HG2' ' HB2' ' A' ' 15' ' ' ARG . 70.7 mm-40 -64.66 -44.41 90.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.621 -0.718 . . . . 2.28 110.495 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.5 tp -64.32 -39.55 94.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.17 110.812 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -62.17 -49.13 77.06 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.124 0.488 . . . . 2.5 110.454 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 99.1 mtt180 -58.92 -45.09 91.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.668 -0.696 . . . . 2.78 109.924 178.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -61.67 -42.92 99.58 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.649 -0.705 . . . . 0.21 110.98 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -54.26 -29.81 48.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.648 -0.251 . . . . 1.93 111.169 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 21' ' ' ARG . 99.8 mtt180 -61.34 -22.67 65.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.346 -0.388 . . . . 2.84 111.687 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.2 p -72.28 -28.06 62.87 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 120.929 0.395 . . . . 1.28 110.33 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -92.43 -34.68 14.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.024 -0.534 . . . . 0.4 110.567 179.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.2 p -103.64 34.37 3.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.926 -0.579 . . . . 2.22 111.412 -174.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.25 33.2 5.41 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.206 -0.758 . . . . 3.5 111.206 177.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -119.0 21.43 12.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.689 0.757 . . . . 6.58 109.578 -178.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -108.87 92.53 4.09 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.634 -0.712 . . . . 8.46 109.997 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.703 0 CA-C-N 116.296 -0.411 . . . . 6.36 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 110.231 -0.285 . . . . 4.3 110.231 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -79.79 146.93 19.01 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.235 1.957 . . . . 0.63 111.321 174.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.474 ' HB3' HD22 ' A' ' 19' ' ' LEU . 99.6 m-85 -81.23 89.98 6.06 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.234 -0.654 . . . . 0.25 109.234 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.558 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 41.0 t -71.47 137.67 48.4 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.807 -0.633 . . . . 0.33 109.601 174.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.4 p -127.18 46.74 2.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.195 0.521 . . . . 1.31 110.981 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 14.2 t-105 . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 116.041 -0.527 . . . . 0.82 110.43 -177.686 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.2 t -68.05 116.61 8.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.427 -0.806 . . . . 0.41 109.48 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.558 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -131.77 61.48 0.66 Allowed Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.69 -0.767 . . . . 0.3 112.674 -175.077 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -85.6 133.34 34.06 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.587 -0.523 . . . . 2.05 109.587 177.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 74.9 mtt85 -100.58 135.19 42.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.572 -0.285 . . . . 3.36 111.357 -175.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -122.36 150.72 42.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.175 -0.466 . . . . 0.22 110.63 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -89.17 -14.52 35.91 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.824 -0.625 . . . . 0.95 110.37 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -131.45 135.52 47.2 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.441 0.638 . . . . 3.12 110.944 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.9 t -64.42 -32.0 73.45 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.166 -0.925 . . . . 1.22 111.17 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.34 -33.86 76.82 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.334 -0.394 . . . . 2.15 110.428 176.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -75.77 -34.83 60.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.95 -0.568 . . . . 2.28 110.729 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 3' ' ' PHE . 60.7 tp -63.87 -46.64 84.04 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.777 -0.369 . . . . 0.17 110.286 174.279 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -62.42 -43.92 97.67 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.129 0.49 . . . . 2.5 110.277 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -51.42 -54.1 30.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.149 -0.932 . . . . 2.78 109.801 174.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.492 ' O ' HG22 ' A' ' 25' ' ' THR . 46.8 t60 -57.23 -44.8 84.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.199 -0.91 . . . . 0.21 111.12 178.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 19' ' ' LEU . 33.7 mmtp -56.46 -28.92 60.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.565 -0.289 . . . . 1.93 111.48 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 27' ' ' THR . 17.8 mtp180 -66.11 -8.22 22.42 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.475 -0.33 . . . . 2.84 111.719 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 22' ' ' HIS . 1.5 t -83.99 -28.0 28.05 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.658 -0.497 . . . . 1.28 109.658 175.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -82.88 -44.74 15.05 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.533 -0.543 . . . . 0.4 109.533 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' A' ' 24' ' ' ARG . 13.3 t -159.8 147.15 16.68 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.754 -0.657 . . . . 2.22 109.731 177.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 135.81 49.75 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.387 -0.685 . . . . 3.5 111.387 -175.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -82.36 71.08 9.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.866 0.365 . . . . 6.58 110.443 -177.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -73.72 91.44 1.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.82 -0.627 . . . . 8.46 110.798 -177.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.756 0 CA-C-N 116.289 -0.414 . . . . 6.36 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 110.223 -0.288 . . . . 4.3 110.223 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -78.95 133.3 11.1 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.031 1.821 . . . . 0.63 111.151 174.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -83.33 94.3 7.91 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.334 0.588 . . . . 0.25 110.202 -177.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.8 t -64.51 142.48 58.41 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.026 -0.534 . . . . 0.33 109.974 174.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.2 p -118.5 30.65 7.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.124 -0.489 . . . . 1.31 111.365 -176.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 . . . . . 0 C--N 1.321 -0.632 0 N-CA-C 109.469 -0.567 . . . . 0.82 109.469 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.9 t -75.46 118.66 18.57 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.808 0.337 . . . . 0.41 110.325 -178.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.71 51.99 0.59 Allowed Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.961 -0.638 . . . . 0.3 112.434 -178.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -67.54 142.86 56.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.666 0.27 . . . . 2.05 110.505 174.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -108.65 130.83 55.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.287 -0.415 . . . . 3.36 110.848 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -117.75 168.12 10.75 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.545 -0.752 . . . . 0.22 110.202 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 p -99.72 -16.58 18.1 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.074 0.398 . . . . 0.95 112.074 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.426 ' HB2' ' HG3' ' A' ' 18' ' ' GLU . 69.7 mtp180 -132.83 143.55 49.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.038 0.447 . . . . 3.12 110.281 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.7 m -58.04 -33.03 68.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.637 -0.711 . . . . 1.22 111.386 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.63 -36.24 82.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.437 -0.347 . . . . 2.15 110.68 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.426 ' HG3' ' HB2' ' A' ' 15' ' ' ARG . 51.1 mt-10 -61.08 -46.55 90.17 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.342 0.592 . . . . 2.28 109.511 176.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.6 tp -66.55 -43.14 85.88 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.028 -0.987 . . . . 0.17 111.145 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -63.56 -45.89 88.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.797 0.332 . . . . 2.5 111.011 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -58.38 -45.02 89.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.818 -0.628 . . . . 2.78 109.746 175.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -57.81 -47.72 81.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.797 -0.638 . . . . 0.21 110.535 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -57.87 -25.91 61.39 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.28 -0.418 . . . . 1.93 111.843 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -62.53 -26.7 68.7 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.836 -0.346 . . . . 2.84 110.891 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.2 p -73.27 -25.66 60.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.924 0.393 . . . . 1.28 110.831 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -82.41 -37.67 25.19 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.174 0.511 . . . . 0.4 109.71 175.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.1 m -63.34 -36.99 85.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.334 -0.848 . . . . 2.22 110.967 -177.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -176.3 -169.45 37.77 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.411 -0.899 . . . . 3.5 112.211 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -140.98 -32.24 0.57 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.983 0.421 . . . . 6.58 110.321 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -62.4 -67.24 0.43 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.853 -0.612 . . . . 8.46 110.547 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.667 0 CA-C-N 116.383 -0.371 . . . . 6.36 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 N--CA 1.483 1.19 0 N-CA-C 110.147 -0.316 . . . . 4.3 110.147 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -70.47 145.76 53.94 Favored 'Trans proline' 0 C--O 1.236 0.407 0 C-N-CA 122.204 1.936 . . . . 0.63 112.015 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.502 ' HB3' HD22 ' A' ' 19' ' ' LEU . 91.1 m-85 -87.77 109.17 19.53 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.71 -0.677 . . . . 0.25 109.7 -178.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.457 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 37.1 t -67.68 133.82 50.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.141 -0.481 . . . . 0.33 110.02 174.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 p -108.81 19.95 19.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.276 -0.42 . . . . 1.31 111.787 -176.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 . . . . . 0 C--N 1.325 -0.488 0 CA-C-O 121.018 0.437 . . . . 0.82 110.096 -178.87 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.2 t -87.97 129.62 35.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.147 -0.478 . . . . 0.41 109.855 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -149.51 43.53 0.76 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.645 -0.788 . . . . 0.3 112.892 -177.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -61.69 143.47 56.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.747 0.308 . . . . 2.05 111.014 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 -100.79 142.09 32.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 3.36 110.534 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -131.85 147.08 52.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.878 -0.601 . . . . 0.22 109.999 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.4 m -85.31 -13.18 50.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.301 0.572 . . . . 0.95 110.484 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -131.97 134.58 45.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.038 -0.528 . . . . 3.12 110.616 -176.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.443 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 3.7 p -66.47 -29.77 69.97 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.671 -0.695 . . . . 1.22 111.743 -175.293 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.29 -31.73 71.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.875 0.369 . . . . 2.15 110.418 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -68.42 -39.98 81.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.248 -0.433 . . . . 2.28 109.852 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.502 HD22 ' HB3' ' A' ' 3' ' ' PHE . 46.5 tp -64.44 -45.28 88.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.864 -0.607 . . . . 0.17 110.728 176.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -60.72 -49.16 78.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.047 0.451 . . . . 2.5 110.457 177.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.6 ttt-85 -56.34 -43.96 79.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.576 -0.738 . . . . 2.78 109.93 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -60.76 -47.11 87.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.534 -0.757 . . . . 0.21 110.679 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -60.14 -22.49 62.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.74 0.305 . . . . 1.93 111.326 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -70.77 -6.32 36.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.321 -0.4 . . . . 2.84 111.351 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.6 p -83.39 -32.26 26.27 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.542 -0.54 . . . . 1.28 109.542 171.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -81.24 -13.89 58.05 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.616 0.722 . . . . 0.4 109.287 174.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.5 p 54.21 51.73 13.9 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 114.032 -1.44 . . . . 2.22 111.678 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.43 144.28 47.55 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.344 -0.844 . . . . 3.5 111.404 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -82.04 103.02 11.37 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.146 0.498 . . . . 6.58 110.979 -172.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -109.34 -70.95 0.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.616 -0.72 . . . . 8.46 109.882 176.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 116.184 -0.462 . . . . 6.36 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo . . . . . 0 N--CA 1.462 -0.33 0 CA-C-O 120.831 0.263 . . . . 0.63 111.826 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.618 ' CE2' ' HB3' ' A' ' 16' ' ' SER . 98.3 m-85 . . . . . 0 C--N 1.32 -0.691 0 CA-C-O 121.408 0.623 . . . . 0.25 109.372 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.652 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 50.4 t . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 108.988 -0.745 . . . . 0.33 108.988 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.0 m -143.11 54.21 1.37 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.852 0.834 . . . . 1.31 109.633 176.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.47 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 33.5 t-105 . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 115.346 -0.843 . . . . 0.82 109.505 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 7' ' ' TRP . 35.2 t . . . . . 0 C--O 1.233 0.221 0 N-CA-C 109.993 -0.373 . . . . 0.41 109.993 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.652 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -136.26 51.12 0.82 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.252 -0.975 . . . . 0.3 113.923 -173.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -72.29 135.56 46.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.974 0.387 . . . . 2.05 110.393 175.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -101.07 133.02 46.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.839 0.352 . . . . 3.36 110.904 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -122.63 151.29 41.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.896 -0.593 . . . . 0.22 110.353 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.8 m -91.65 -15.04 29.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.019 -0.537 . . . . 0.95 110.179 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.419 ' HB3' ' OD2' ' A' ' 17' ' ' ASP . 43.0 mtp180 -119.59 131.56 55.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.571 0.701 . . . . 3.12 111.209 -177.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.618 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 3.1 p -65.42 -34.79 79.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.901 -1.045 . . . . 1.22 111.535 -177.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.428 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 6.5 p-10 -70.69 -30.7 67.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.969 -0.56 . . . . 2.15 110.278 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -73.84 -37.01 64.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.329 -0.396 . . . . 2.28 110.342 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.449 HD22 ' HB3' ' A' ' 3' ' ' PHE . 56.4 tp -63.5 -42.97 98.5 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.765 -0.457 . . . . 0.17 109.765 172.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -56.98 -51.4 69.36 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.109 -0.496 . . . . 2.5 110.826 176.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.503 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 35.3 mtp180 -57.9 -45.4 86.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.028 -0.533 . . . . 2.78 110.043 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -56.84 -46.8 81.49 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.257 -0.429 . . . . 0.21 110.475 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -61.86 -25.45 67.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.931 -0.577 . . . . 1.93 111.279 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.503 ' HB3' ' O ' ' A' ' 21' ' ' ARG . 60.1 ttt180 -60.73 -22.43 63.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.819 0.343 . . . . 2.84 110.854 177.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.62 -19.75 48.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 1.28 110.794 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 121.078 0.466 . . . . 0.4 110.017 177.688 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo . . . . . 0 N--CA 1.457 -0.633 0 CA-C-O 121.058 0.357 . . . . 0.63 111.939 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.506 ' HB3' HD22 ' A' ' 19' ' ' LEU . 98.8 m-85 . . . . . 0 C--N 1.319 -0.734 0 CA-C-N 115.859 -0.609 . . . . 0.25 109.48 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.452 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 13.1 t . . . . . 0 N--CA 1.45 -0.434 0 CA-C-O 120.841 0.353 . . . . 0.33 110.29 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.5 p -118.74 24.24 10.98 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.182 -0.463 . . . . 1.31 110.972 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 . . . . . 0 C--N 1.324 -0.509 0 CA-C-O 121.439 0.637 . . . . 0.82 109.395 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 39.6 t . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.334 -0.247 . . . . 0.41 110.334 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -153.8 59.84 0.39 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.832 -0.699 . . . . 0.3 112.77 -177.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -82.08 148.41 28.58 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.367 -0.234 . . . . 2.05 110.367 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -110.36 141.03 43.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.854 0.359 . . . . 3.36 110.99 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -128.75 153.23 47.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.765 -0.652 . . . . 0.22 109.943 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.42 -0.84 54.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.988 0.423 . . . . 0.95 111.174 177.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.46 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 75.8 mtp180 -131.74 132.69 44.06 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.022 -0.535 . . . . 3.12 110.188 -177.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 p -67.31 -35.87 80.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.699 -0.682 . . . . 1.22 111.515 -175.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.15 -33.62 76.45 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.084 0.469 . . . . 2.15 109.981 176.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.46 ' CG ' ' HB2' ' A' ' 15' ' ' ARG . 6.5 mm-40 -66.49 -46.62 75.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.507 -0.769 . . . . 2.28 110.442 178.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 3' ' ' PHE . 49.8 tp -64.34 -45.77 86.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.17 111.132 178.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.419 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 7.1 tp60 -63.01 -41.02 99.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.042 0.448 . . . . 2.5 110.526 -178.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -63.02 -44.35 96.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.993 -0.549 . . . . 2.78 109.662 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -55.72 -44.17 77.23 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.67 -0.696 . . . . 0.21 110.266 176.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.96 -31.73 72.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.332 -0.395 . . . . 1.93 110.747 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -66.54 -13.7 61.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.072 0.463 . . . . 2.84 110.287 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.8 m -84.32 -20.38 32.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.936 0.398 . . . . 1.28 110.181 177.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 . . . . . 0 C--N 1.331 -0.201 0 N-CA-C 109.691 -0.485 . . . . 0.4 109.691 174.297 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo . . . . . 0 N--CA 1.455 -0.743 0 CA-C-O 121.415 0.506 . . . . 0.63 112.961 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.432 ' HB3' HD22 ' A' ' 19' ' ' LEU . 96.6 m-85 . . . . . 0 C--N 1.319 -0.758 0 CA-C-N 115.392 -0.822 . . . . 0.25 108.81 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.5 t . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.704 0.288 . . . . 0.33 110.743 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.6 p -110.83 24.16 13.28 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.255 0.465 . . . . 1.31 112.255 -176.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.403 ' O ' ' HB3' ' A' ' 9' ' ' CYS . 30.6 t-105 . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 121.055 0.455 . . . . 0.82 110.63 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 51.6 t . . . . . 0 N--CA 1.447 -0.599 0 N-CA-C 109.502 -0.555 . . . . 0.41 109.502 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.65 45.84 0.56 Allowed Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.48 -0.867 . . . . 0.3 112.398 -176.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -69.17 132.18 46.13 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.822 -0.436 . . . . 2.05 109.822 177.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -103.7 140.72 37.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.964 0.411 . . . . 3.36 110.346 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -125.85 153.32 44.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.916 -0.584 . . . . 0.22 110.042 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.1 p -93.04 -0.37 57.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.948 0.404 . . . . 0.95 110.953 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.4 ' HD2' HH11 ' A' ' 15' ' ' ARG . 11.3 mmt180 -137.39 134.52 36.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.112 -0.494 . . . . 3.12 109.904 -179.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.526 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 32.8 t -63.83 -36.8 85.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.57 -0.741 . . . . 1.22 110.829 -177.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -65.78 -34.27 77.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.43 -0.35 . . . . 2.15 110.964 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -63.89 -47.65 79.8 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.852 -0.425 . . . . 2.28 109.852 174.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.432 HD22 ' HB3' ' A' ' 3' ' ' PHE . 51.9 tp -63.95 -39.34 93.92 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 115.811 -0.631 . . . . 0.17 111.116 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 16' ' ' SER . 78.5 mt-30 -62.91 -44.59 95.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.899 0.381 . . . . 2.5 110.539 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.6 ttp-105 -60.08 -47.93 83.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 2.78 109.824 176.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -59.56 -45.59 91.39 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.742 -0.663 . . . . 0.21 110.662 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -54.73 -32.7 60.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.74 -0.664 . . . . 1.93 110.691 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -73.85 0.57 12.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 2.84 111.964 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.5 p -80.51 -31.51 37.12 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.314 -0.624 . . . . 1.28 109.314 171.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.625 -0.716 . . . . 0.4 109.647 179.034 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 N--CA 1.461 -0.429 0 CA-C-O 121.184 0.41 . . . . 0.63 112.601 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.5 ' CE2' ' HB3' ' A' ' 16' ' ' SER . 96.7 m-85 . . . . . 0 C--N 1.319 -0.721 0 CA-C-N 115.528 -0.76 . . . . 0.25 109.219 178.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.545 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 29.0 t . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.931 -0.396 . . . . 0.33 109.931 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.7 p -131.97 51.99 2.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.24 0.543 . . . . 1.31 111.091 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 39.4 t-105 . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 115.913 -0.585 . . . . 0.82 109.896 179.794 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.1 t . . . . . 0 N--CA 1.449 -0.507 0 N-CA-C 109.419 -0.586 . . . . 0.41 109.419 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.545 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -146.65 56.97 0.51 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.313 -0.946 . . . . 0.3 113.366 -175.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -70.44 141.35 52.09 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.747 -0.464 . . . . 2.05 109.747 174.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -102.33 135.5 43.82 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.97 0.414 . . . . 3.36 110.646 -177.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -123.37 150.69 43.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.918 -0.583 . . . . 0.22 110.517 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -80.77 -26.98 36.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.819 -0.628 . . . . 0.95 110.738 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 -128.6 144.51 51.17 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.554 0.693 . . . . 3.12 111.14 -175.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.5 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 7.3 p -64.23 -34.3 77.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.0 -1.0 . . . . 1.22 112.02 -174.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -64.22 -32.86 74.6 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.828 0.347 . . . . 2.15 110.798 178.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.98 -40.48 71.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.024 -0.534 . . . . 2.28 109.948 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.464 HD22 ' HB3' ' A' ' 3' ' ' PHE . 51.1 tp -64.31 -45.63 87.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.5 . . . . 0.17 110.451 175.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.455 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 56.0 tp60 -59.03 -46.59 87.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.065 0.46 . . . . 2.5 110.227 178.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -54.78 -50.29 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.653 -0.703 . . . . 2.78 110.082 176.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -58.51 -47.36 84.38 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.519 -0.764 . . . . 0.21 110.795 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -58.4 -28.5 65.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.58 -0.282 . . . . 1.93 111.533 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 25.2 mtm180 -70.25 -5.56 28.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.514 -0.312 . . . . 2.84 111.546 -178.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.7 p -81.31 -34.17 32.08 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.82 -0.437 . . . . 1.28 109.82 172.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 . . . . . 0 CA--C 1.518 -0.253 0 CA-C-N 116.11 -0.496 . . . . 0.4 110.089 179.171 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo . . . . . 0 N--CA 1.455 -0.757 0 CA-C-O 120.91 0.296 . . . . 0.63 111.424 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.506 ' HB3' HD22 ' A' ' 19' ' ' LEU . 96.1 m-85 . . . . . 0 C--N 1.315 -0.933 0 CA-C-N 115.95 -0.568 . . . . 0.25 109.687 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.414 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 35.5 t . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.769 0.318 . . . . 0.33 110.254 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.6 p -137.31 54.98 1.82 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.098 0.475 . . . . 1.31 110.944 -177.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.224 -0.444 . . . . 0.82 110.209 -179.566 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.2 t . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.894 -0.41 . . . . 0.41 109.894 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -156.44 64.96 0.31 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.331 -0.938 . . . . 0.3 113.722 -175.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -73.15 145.64 46.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.119 -0.326 . . . . 2.05 110.119 172.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -106.38 122.89 47.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.901 0.382 . . . . 3.36 110.795 -178.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -114.36 151.83 32.43 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.136 -0.484 . . . . 0.22 110.508 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.3 m -93.12 -5.92 49.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.565 0.698 . . . . 0.95 110.011 178.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -129.15 130.8 46.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.679 -0.692 . . . . 3.12 110.41 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.48 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 4.9 p -63.8 -32.87 74.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.492 -0.777 . . . . 1.22 110.911 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -64.84 -33.81 76.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.911 -0.586 . . . . 2.15 110.443 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -75.92 -31.58 59.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.105 -0.498 . . . . 2.28 110.716 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 3' ' ' PHE . 54.2 tp -68.31 -44.1 76.16 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.744 -0.382 . . . . 0.17 110.511 174.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.446 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 47.9 mt-30 -64.14 -42.84 96.65 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.163 0.506 . . . . 2.5 109.959 176.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -51.6 -52.1 50.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.159 -0.928 . . . . 2.78 109.651 173.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -56.47 -50.22 72.36 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.321 -0.854 . . . . 0.21 110.85 177.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.7 -18.76 56.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.206 -0.452 . . . . 1.93 111.889 -175.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 64.9 mtp180 -64.05 -16.41 61.65 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.679 0.276 . . . . 2.84 111.02 176.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.5 p -77.99 -25.62 48.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.963 0.411 . . . . 1.28 110.419 175.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.4 109.723 177.729 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo . . . . . 0 N--CA 1.461 -0.424 0 CA-C-O 121.139 0.391 . . . . 0.63 111.987 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.456 ' HB3' HD22 ' A' ' 19' ' ' LEU . 98.8 m-85 . . . . . 0 C--N 1.318 -0.801 0 CA-C-N 115.603 -0.726 . . . . 0.25 109.101 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.46 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 41.5 t . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.502 -0.555 . . . . 0.33 109.502 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.0 p -121.38 36.06 4.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.134 0.492 . . . . 1.31 111.088 -178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 14.0 t-105 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.167 -0.47 . . . . 0.82 110.395 -178.284 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.451 -0.415 0 N-CA-C 109.258 -0.645 . . . . 0.41 109.258 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -142.53 60.91 0.53 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.338 -0.934 . . . . 0.3 113.468 -174.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HD2' ' CE1' ' A' ' 22' ' ' HIS . 68.6 mttm -77.55 137.55 38.67 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.622 -0.51 . . . . 2.05 109.622 173.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 12' ' ' ARG . 62.0 mtt180 -100.23 132.51 45.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.03 0.443 . . . . 3.36 111.039 -179.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -123.55 153.92 39.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.897 -0.592 . . . . 0.22 110.025 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -94.12 -0.35 55.35 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.256 0.55 . . . . 0.95 110.638 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -137.29 136.31 37.91 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.07 -0.514 . . . . 3.12 110.426 -177.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.443 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 9.2 p -67.68 -33.83 75.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.005 -0.543 . . . . 1.22 110.818 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.27 -33.51 75.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.886 -0.597 . . . . 2.15 110.599 176.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -75.31 -34.9 61.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.075 -0.511 . . . . 2.28 110.525 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.456 HD22 ' HB3' ' A' ' 3' ' ' PHE . 50.5 tp -65.78 -46.82 77.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.444 -0.344 . . . . 0.17 110.343 174.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.404 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 62.8 tt0 -59.05 -47.14 86.32 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.353 0.597 . . . . 2.5 109.889 176.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -52.54 -50.03 63.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.852 -1.067 . . . . 2.78 110.281 175.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.408 ' CE1' ' HD2' ' A' ' 11' ' ' LYS . 50.1 t60 -59.94 -44.2 94.53 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.965 -0.562 . . . . 0.21 110.95 178.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -61.17 -21.15 63.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.697 0.284 . . . . 1.93 111.192 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 79.9 mtp180 -67.78 -4.42 12.41 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.428 -0.351 . . . . 2.84 111.259 176.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.1 p -86.68 -28.68 23.0 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.182 0.515 . . . . 1.28 109.861 173.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.209 -0.663 . . . . 0.4 109.209 176.802 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo . . . . . 0 N--CA 1.462 -0.356 0 CA-C-O 121.086 0.369 . . . . 0.63 112.292 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 . . . . . 0 C--N 1.32 -0.698 0 N-CA-C 109.14 -0.689 . . . . 0.25 109.14 178.541 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.635 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 46.1 t . . . . . 0 N--CA 1.448 -0.542 0 N-CA-C 109.533 -0.543 . . . . 0.33 109.533 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.5 p -131.84 50.12 2.26 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.077 0.465 . . . . 1.31 110.697 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.4 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 35.7 t-105 . . . . . 0 C--N 1.327 -0.385 0 CA-C-O 121.091 0.472 . . . . 0.82 110.294 -177.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 7' ' ' TRP . 19.4 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.702 -0.481 . . . . 0.41 109.702 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.635 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -125.9 46.46 1.08 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.87 -0.681 . . . . 0.3 113.222 -175.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -71.39 128.59 36.38 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.664 -0.495 . . . . 2.05 109.664 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -105.24 147.27 28.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.123 0.487 . . . . 3.36 111.733 -174.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -132.24 157.36 44.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.576 -0.738 . . . . 0.22 110.921 -176.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.9 p -98.19 -1.22 42.62 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.145 -0.479 . . . . 0.95 111.158 177.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.422 ' HB2' ' HG2' ' A' ' 18' ' ' GLU . 40.0 mtm180 -135.66 138.9 43.29 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.001 0.429 . . . . 3.12 110.354 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.9 t -62.71 -32.83 74.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.681 -0.69 . . . . 1.22 110.008 176.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.24 -43.89 88.0 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.927 -0.579 . . . . 2.15 110.305 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.422 ' HG2' ' HB2' ' A' ' 15' ' ' ARG . 70.7 mm-40 -64.66 -44.41 90.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.621 -0.718 . . . . 2.28 110.495 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.5 tp -64.32 -39.55 94.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.17 110.812 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -62.17 -49.13 77.06 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.124 0.488 . . . . 2.5 110.454 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 99.1 mtt180 -58.92 -45.09 91.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.668 -0.696 . . . . 2.78 109.924 178.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -61.67 -42.92 99.58 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.649 -0.705 . . . . 0.21 110.98 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -54.26 -29.81 48.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.648 -0.251 . . . . 1.93 111.169 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 21' ' ' ARG . 99.8 mtt180 -61.34 -22.67 65.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.346 -0.388 . . . . 2.84 111.687 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.2 p -72.28 -28.06 62.87 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 120.929 0.395 . . . . 1.28 110.33 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.024 -0.534 . . . . 0.4 110.567 179.157 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 N--CA 1.458 -0.602 0 N-CA-C 111.321 -0.3 . . . . 0.63 111.321 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.474 ' HB3' HD22 ' A' ' 19' ' ' LEU . 99.6 m-85 . . . . . 0 C--N 1.316 -0.849 0 N-CA-C 109.234 -0.654 . . . . 0.25 109.234 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.558 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 41.0 t . . . . . 0 N--CA 1.449 -0.484 0 N-CA-C 109.601 -0.518 . . . . 0.33 109.601 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.4 p -127.18 46.74 2.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.195 0.521 . . . . 1.31 110.981 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 14.2 t-105 . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 116.041 -0.527 . . . . 0.82 110.43 -177.686 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.2 t . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 109.48 -0.563 . . . . 0.41 109.48 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.558 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -131.77 61.48 0.66 Allowed Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.69 -0.767 . . . . 0.3 112.674 -175.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -85.6 133.34 34.06 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.587 -0.523 . . . . 2.05 109.587 177.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 74.9 mtt85 -100.58 135.19 42.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.572 -0.285 . . . . 3.36 111.357 -175.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -122.36 150.72 42.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.175 -0.466 . . . . 0.22 110.63 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -89.17 -14.52 35.91 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.824 -0.625 . . . . 0.95 110.37 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -131.45 135.52 47.2 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.441 0.638 . . . . 3.12 110.944 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.9 t -64.42 -32.0 73.45 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.166 -0.925 . . . . 1.22 111.17 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.34 -33.86 76.82 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.334 -0.394 . . . . 2.15 110.428 176.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -75.77 -34.83 60.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.95 -0.568 . . . . 2.28 110.729 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 3' ' ' PHE . 60.7 tp -63.87 -46.64 84.04 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.777 -0.369 . . . . 0.17 110.286 174.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -62.42 -43.92 97.67 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.129 0.49 . . . . 2.5 110.277 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -51.42 -54.1 30.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.149 -0.932 . . . . 2.78 109.801 174.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.492 ' O ' HG22 ' A' ' 25' ' ' THR . 46.8 t60 -57.23 -44.8 84.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.199 -0.91 . . . . 0.21 111.12 178.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 19' ' ' LEU . 33.7 mmtp -56.46 -28.92 60.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.565 -0.289 . . . . 1.93 111.48 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -66.11 -8.22 22.42 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.475 -0.33 . . . . 2.84 111.719 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 22' ' ' HIS . 1.5 t -83.99 -28.0 28.05 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.658 -0.497 . . . . 1.28 109.658 175.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 109.533 -0.543 . . . . 0.4 109.533 178.321 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 N--CA 1.458 -0.616 0 N-CA-C 111.151 -0.365 . . . . 0.63 111.151 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 . . . . . 0 C--N 1.319 -0.755 0 CA-C-O 121.334 0.588 . . . . 0.25 110.202 -177.015 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.8 t . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 120.9 0.381 . . . . 0.33 109.974 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.2 p -118.5 30.65 7.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.124 -0.489 . . . . 1.31 111.365 -176.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 . . . . . 0 C--N 1.321 -0.632 0 N-CA-C 109.469 -0.567 . . . . 0.82 109.469 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.9 t . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 120.808 0.337 . . . . 0.41 110.325 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.71 51.99 0.59 Allowed Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.961 -0.638 . . . . 0.3 112.434 -178.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -67.54 142.86 56.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.666 0.27 . . . . 2.05 110.505 174.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -108.65 130.83 55.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.287 -0.415 . . . . 3.36 110.848 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -117.75 168.12 10.75 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.545 -0.752 . . . . 0.22 110.202 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 p -99.72 -16.58 18.1 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.074 0.398 . . . . 0.95 112.074 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.426 ' HB2' ' HG3' ' A' ' 18' ' ' GLU . 69.7 mtp180 -132.83 143.55 49.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.038 0.447 . . . . 3.12 110.281 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.7 m -58.04 -33.03 68.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.637 -0.711 . . . . 1.22 111.386 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.63 -36.24 82.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.437 -0.347 . . . . 2.15 110.68 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.426 ' HG3' ' HB2' ' A' ' 15' ' ' ARG . 51.1 mt-10 -61.08 -46.55 90.17 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.342 0.592 . . . . 2.28 109.511 176.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.6 tp -66.55 -43.14 85.88 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.028 -0.987 . . . . 0.17 111.145 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -63.56 -45.89 88.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.797 0.332 . . . . 2.5 111.011 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -58.38 -45.02 89.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.818 -0.628 . . . . 2.78 109.746 175.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -57.81 -47.72 81.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.797 -0.638 . . . . 0.21 110.535 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -57.87 -25.91 61.39 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.28 -0.418 . . . . 1.93 111.843 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -62.53 -26.7 68.7 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.836 -0.346 . . . . 2.84 110.891 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.2 p -73.27 -25.66 60.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.924 0.393 . . . . 1.28 110.831 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 . . . . . 0 CA--C 1.519 -0.239 0 CA-C-O 121.174 0.511 . . . . 0.4 109.71 175.096 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo . . . . . 0 C--O 1.236 0.407 0 CA-C-O 121.16 0.4 . . . . 0.63 112.015 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.502 ' HB3' HD22 ' A' ' 19' ' ' LEU . 91.1 m-85 . . . . . 0 C--N 1.319 -0.757 0 CA-C-N 115.71 -0.677 . . . . 0.25 109.7 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.457 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 37.1 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.02 -0.363 . . . . 0.33 110.02 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 p -108.81 19.95 19.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.276 -0.42 . . . . 1.31 111.787 -176.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 . . . . . 0 C--N 1.325 -0.488 0 CA-C-O 121.018 0.437 . . . . 0.82 110.096 -178.87 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.2 t . . . . . 0 N--CA 1.45 -0.463 0 N-CA-C 109.855 -0.424 . . . . 0.41 109.855 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -149.51 43.53 0.76 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.645 -0.788 . . . . 0.3 112.892 -177.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -61.69 143.47 56.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.747 0.308 . . . . 2.05 111.014 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 -100.79 142.09 32.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 3.36 110.534 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -131.85 147.08 52.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.878 -0.601 . . . . 0.22 109.999 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.4 m -85.31 -13.18 50.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.301 0.572 . . . . 0.95 110.484 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -131.97 134.58 45.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.038 -0.528 . . . . 3.12 110.616 -176.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.443 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 3.7 p -66.47 -29.77 69.97 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.671 -0.695 . . . . 1.22 111.743 -175.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.29 -31.73 71.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.875 0.369 . . . . 2.15 110.418 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -68.42 -39.98 81.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.248 -0.433 . . . . 2.28 109.852 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.502 HD22 ' HB3' ' A' ' 3' ' ' PHE . 46.5 tp -64.44 -45.28 88.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.864 -0.607 . . . . 0.17 110.728 176.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -60.72 -49.16 78.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.047 0.451 . . . . 2.5 110.457 177.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.6 ttt-85 -56.34 -43.96 79.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.576 -0.738 . . . . 2.78 109.93 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -60.76 -47.11 87.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.534 -0.757 . . . . 0.21 110.679 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -60.14 -22.49 62.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.74 0.305 . . . . 1.93 111.326 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -70.77 -6.32 36.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.321 -0.4 . . . . 2.84 111.351 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.6 p -83.39 -32.26 26.27 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.542 -0.54 . . . . 1.28 109.542 171.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.616 0.722 . . . . 0.4 109.287 174.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 109.814 -0.439 . . . . 4.3 109.814 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -77.29 159.94 32.84 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.342 2.028 . . . . 0.63 111.826 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.618 ' CE2' ' HB3' ' A' ' 16' ' ' SER . 98.3 m-85 -92.79 83.06 4.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.408 0.623 . . . . 0.25 109.372 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.652 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 50.4 t -76.01 146.02 39.82 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.988 -0.745 . . . . 0.33 108.988 172.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.0 m -143.11 54.21 1.37 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.852 0.834 . . . . 1.31 109.633 176.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.47 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 33.5 t-105 . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 115.346 -0.843 . . . . 0.82 109.505 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 7' ' ' TRP . 35.2 t -63.12 119.2 9.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.864 -0.607 . . . . 0.41 109.993 176.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.652 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -136.26 51.12 0.82 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.252 -0.975 . . . . 0.3 113.923 -173.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -72.29 135.56 46.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.974 0.387 . . . . 2.05 110.393 175.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -101.07 133.02 46.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.839 0.352 . . . . 3.36 110.904 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -122.63 151.29 41.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.896 -0.593 . . . . 0.22 110.353 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.8 m -91.65 -15.04 29.12 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.019 -0.537 . . . . 0.95 110.179 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.419 ' HB3' ' OD2' ' A' ' 17' ' ' ASP . 43.0 mtp180 -119.59 131.56 55.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.571 0.701 . . . . 3.12 111.209 -177.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.618 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 3.1 p -65.42 -34.79 79.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.901 -1.045 . . . . 1.22 111.535 -177.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.428 ' O ' ' HG3' ' A' ' 21' ' ' ARG . 6.5 p-10 -70.69 -30.7 67.34 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.969 -0.56 . . . . 2.15 110.278 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -73.84 -37.01 64.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.329 -0.396 . . . . 2.28 110.342 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.449 HD22 ' HB3' ' A' ' 3' ' ' PHE . 56.4 tp -63.5 -42.97 98.5 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.765 -0.457 . . . . 0.17 109.765 172.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -56.98 -51.4 69.36 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.109 -0.496 . . . . 2.5 110.826 176.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.503 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 35.3 mtp180 -57.9 -45.4 86.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.028 -0.533 . . . . 2.78 110.043 178.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.4 t60 -56.84 -46.8 81.49 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.257 -0.429 . . . . 0.21 110.475 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -61.86 -25.45 67.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.931 -0.577 . . . . 1.93 111.279 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.503 ' HB3' ' O ' ' A' ' 21' ' ' ARG . 60.1 ttt180 -60.73 -22.43 63.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.819 0.343 . . . . 2.84 110.854 177.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.62 -19.75 48.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 1.28 110.794 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -92.8 -44.43 8.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.078 0.466 . . . . 0.4 110.017 177.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.5 t -153.17 158.1 41.29 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.908 -0.587 . . . . 2.22 110.31 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.22 -24.97 27.6 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.832 -0.699 . . . . 3.5 111.59 -177.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -144.77 132.48 21.11 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.89 -0.411 . . . . 6.58 109.89 176.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -118.57 -78.61 0.59 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.672 -0.492 . . . . 8.46 109.672 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.711 0 CA-C-N 116.485 -0.325 . . . . 6.36 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 . . . . . 0 N--CA 1.477 0.895 0 CA-C-O 120.616 0.246 . . . . 4.3 110.391 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -77.46 133.41 13.06 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.965 1.777 . . . . 0.63 111.939 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.506 ' HB3' HD22 ' A' ' 19' ' ' LEU . 98.8 m-85 -85.13 92.77 8.47 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.859 -0.609 . . . . 0.25 109.48 -179.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.452 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 13.1 t -73.48 137.23 44.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.503 -0.771 . . . . 0.33 110.29 174.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.5 p -118.74 24.24 10.98 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.182 -0.463 . . . . 1.31 110.972 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.7 t-105 . . . . . 0 C--N 1.324 -0.509 0 CA-C-O 121.439 0.637 . . . . 0.82 109.395 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 39.6 t -84.83 134.07 34.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.425 -0.352 . . . . 0.41 110.334 -178.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -153.8 59.84 0.39 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.832 -0.699 . . . . 0.3 112.77 -177.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -82.08 148.41 28.58 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.367 -0.234 . . . . 2.05 110.367 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -110.36 141.03 43.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.854 0.359 . . . . 3.36 110.99 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -128.75 153.23 47.58 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.765 -0.652 . . . . 0.22 109.943 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.42 -0.84 54.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.988 0.423 . . . . 0.95 111.174 177.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.46 ' HB2' ' CG ' ' A' ' 18' ' ' GLU . 75.8 mtp180 -131.74 132.69 44.06 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.022 -0.535 . . . . 3.12 110.188 -177.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.6 p -67.31 -35.87 80.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.699 -0.682 . . . . 1.22 111.515 -175.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.15 -33.62 76.45 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.084 0.469 . . . . 2.15 109.981 176.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.46 ' CG ' ' HB2' ' A' ' 15' ' ' ARG . 6.5 mm-40 -66.49 -46.62 75.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.507 -0.769 . . . . 2.28 110.442 178.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 3' ' ' PHE . 49.8 tp -64.34 -45.77 86.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.17 111.132 178.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.419 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 7.1 tp60 -63.01 -41.02 99.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.042 0.448 . . . . 2.5 110.526 -178.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -63.02 -44.35 96.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.993 -0.549 . . . . 2.78 109.662 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -55.72 -44.17 77.23 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.67 -0.696 . . . . 0.21 110.266 176.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.96 -31.73 72.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.332 -0.395 . . . . 1.93 110.747 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -66.54 -13.7 61.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.072 0.463 . . . . 2.84 110.287 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.8 m -84.32 -20.38 32.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.936 0.398 . . . . 1.28 110.181 177.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -85.96 -39.32 17.03 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.691 -0.485 . . . . 0.4 109.691 174.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.0 p -85.01 1.78 46.06 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.788 -0.642 . . . . 2.22 111.205 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.78 136.38 13.62 Favored Glycine 0 N--CA 1.443 -0.843 0 N-CA-C 111.413 -0.675 . . . . 3.5 111.413 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -78.92 142.28 36.87 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.906 0.384 . . . . 6.58 110.688 -178.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -121.48 89.23 3.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.096 0.474 . . . . 8.46 110.049 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 116.177 -0.465 . . . . 6.36 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 . . . . . 0 N--CA 1.481 1.085 0 N-CA-C 109.567 -0.531 . . . . 4.3 109.567 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -84.22 158.26 13.11 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 122.296 1.997 . . . . 0.63 112.961 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.432 ' HB3' HD22 ' A' ' 19' ' ' LEU . 96.6 m-85 -99.23 91.04 4.79 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.392 -0.822 . . . . 0.25 108.81 176.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . 0.475 ' HA ' ' HA ' ' A' ' 12' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.5 t -64.94 135.14 55.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.402 -0.817 . . . . 0.33 110.743 175.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.6 p -110.83 24.16 13.28 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.255 0.465 . . . . 1.31 112.255 -176.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.403 ' O ' ' HB3' ' A' ' 9' ' ' CYS . 30.6 t-105 . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 121.055 0.455 . . . . 0.82 110.63 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 7' ' ' TRP . 51.6 t -72.37 135.4 45.85 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.502 -0.555 . . . . 0.41 109.502 178.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.65 45.84 0.56 Allowed Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.48 -0.867 . . . . 0.3 112.398 -176.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -69.17 132.18 46.13 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.822 -0.436 . . . . 2.05 109.822 177.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.475 ' HA ' ' HA ' ' A' ' 4' ' ' NLE . 33.2 ptt180 -103.7 140.72 37.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.964 0.411 . . . . 3.36 110.346 -179.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -125.85 153.32 44.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.916 -0.584 . . . . 0.22 110.042 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.1 p -93.04 -0.37 57.15 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.948 0.404 . . . . 0.95 110.953 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.4 ' HD2' HH11 ' A' ' 15' ' ' ARG . 11.3 mmt180 -137.39 134.52 36.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.112 -0.494 . . . . 3.12 109.904 -179.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.526 ' O ' ' HG3' ' A' ' 20' ' ' GLN . 32.8 t -63.83 -36.8 85.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.57 -0.741 . . . . 1.22 110.829 -177.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -65.78 -34.27 77.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.43 -0.35 . . . . 2.15 110.964 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -63.89 -47.65 79.8 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.852 -0.425 . . . . 2.28 109.852 174.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.432 HD22 ' HB3' ' A' ' 3' ' ' PHE . 51.9 tp -63.95 -39.34 93.92 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 115.811 -0.631 . . . . 0.17 111.116 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 16' ' ' SER . 78.5 mt-30 -62.91 -44.59 95.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.899 0.381 . . . . 2.5 110.539 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.6 ttp-105 -60.08 -47.93 83.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 2.78 109.824 176.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -59.56 -45.59 91.39 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.742 -0.663 . . . . 0.21 110.662 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -54.73 -32.7 60.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.74 -0.664 . . . . 1.93 110.691 -178.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -73.85 0.57 12.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 2.84 111.964 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.5 p -80.51 -31.51 37.12 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.314 -0.624 . . . . 1.28 109.314 171.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -95.31 -50.49 5.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.625 -0.716 . . . . 0.4 109.647 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.9 m -97.52 85.44 3.62 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.444 -0.798 . . . . 2.22 110.87 -175.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.41 -80.85 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 111.062 -0.815 . . . . 3.5 111.062 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -120.53 -45.27 2.42 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.621 -0.511 . . . . 6.58 109.621 175.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -90.09 -74.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.845 -0.616 . . . . 8.46 109.889 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 116.293 -0.412 . . . . 6.36 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 109.864 -0.421 . . . . 4.3 109.864 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.97 144.79 34.78 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.277 1.985 . . . . 0.63 112.601 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.5 ' CE2' ' HB3' ' A' ' 16' ' ' SER . 96.7 m-85 -86.91 96.71 10.33 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.528 -0.76 . . . . 0.25 109.219 178.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.545 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 29.0 t -69.56 143.59 53.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.641 -0.709 . . . . 0.33 109.931 173.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.7 p -131.97 51.99 2.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.24 0.543 . . . . 1.31 111.091 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 39.4 t-105 . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 115.913 -0.585 . . . . 0.82 109.896 179.794 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.1 t -66.46 126.62 29.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.496 -0.775 . . . . 0.41 109.419 173.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.545 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -146.65 56.97 0.51 Allowed Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.313 -0.946 . . . . 0.3 113.366 -175.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -70.44 141.35 52.09 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.747 -0.464 . . . . 2.05 109.747 174.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -102.33 135.5 43.82 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.97 0.414 . . . . 3.36 110.646 -177.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -123.37 150.69 43.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.918 -0.583 . . . . 0.22 110.517 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -80.77 -26.98 36.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.819 -0.628 . . . . 0.95 110.738 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 -128.6 144.51 51.17 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.554 0.693 . . . . 3.12 111.14 -175.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.5 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 7.3 p -64.23 -34.3 77.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.0 -1.0 . . . . 1.22 112.02 -174.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -64.22 -32.86 74.6 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-O 120.828 0.347 . . . . 2.15 110.798 178.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.98 -40.48 71.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.024 -0.534 . . . . 2.28 109.948 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.464 HD22 ' HB3' ' A' ' 3' ' ' PHE . 51.1 tp -64.31 -45.63 87.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.5 . . . . 0.17 110.451 175.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.455 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 56.0 tp60 -59.03 -46.59 87.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.065 0.46 . . . . 2.5 110.227 178.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -54.78 -50.29 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.653 -0.703 . . . . 2.78 110.082 176.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -58.51 -47.36 84.38 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.519 -0.764 . . . . 0.21 110.795 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -58.4 -28.5 65.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.58 -0.282 . . . . 1.93 111.533 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 25.2 mtm180 -70.25 -5.56 28.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.514 -0.312 . . . . 2.84 111.546 -178.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.7 p -81.31 -34.17 32.08 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.82 -0.437 . . . . 1.28 109.82 172.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -77.63 -40.7 40.97 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.11 -0.496 . . . . 0.4 110.089 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.5 p -85.57 50.98 2.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.867 -0.606 . . . . 2.22 110.828 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -79.13 135.12 14.84 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.799 -0.715 . . . . 3.5 111.362 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -68.22 -50.44 54.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.053 0.454 . . . . 6.58 110.168 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -122.03 82.55 1.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.036 -0.529 . . . . 8.46 110.27 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.784 0 CA-C-N 116.091 -0.504 . . . . 6.36 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.686 -0.487 . . . . 4.3 109.686 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -76.02 146.16 28.83 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 121.952 1.768 . . . . 0.63 111.424 173.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.506 ' HB3' HD22 ' A' ' 19' ' ' LEU . 96.1 m-85 -94.5 93.67 7.76 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.95 -0.568 . . . . 0.25 109.687 -178.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.414 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 35.5 t -67.93 148.73 50.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.692 -0.685 . . . . 0.33 110.254 175.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.6 p -137.31 54.98 1.82 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.098 0.475 . . . . 1.31 110.944 -177.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.224 -0.444 . . . . 0.82 110.209 -179.566 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.2 t -67.42 133.33 49.37 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.311 -0.859 . . . . 0.41 109.894 176.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -156.44 64.96 0.31 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.331 -0.938 . . . . 0.3 113.722 -175.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -73.15 145.64 46.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.119 -0.326 . . . . 2.05 110.119 172.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -106.38 122.89 47.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.901 0.382 . . . . 3.36 110.795 -178.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -114.36 151.83 32.43 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.136 -0.484 . . . . 0.22 110.508 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.3 m -93.12 -5.92 49.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.565 0.698 . . . . 0.95 110.011 178.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -129.15 130.8 46.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.679 -0.692 . . . . 3.12 110.41 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.48 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 4.9 p -63.8 -32.87 74.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.492 -0.777 . . . . 1.22 110.911 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -64.84 -33.81 76.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.911 -0.586 . . . . 2.15 110.443 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -75.92 -31.58 59.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.105 -0.498 . . . . 2.28 110.716 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 3' ' ' PHE . 54.2 tp -68.31 -44.1 76.16 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.744 -0.382 . . . . 0.17 110.511 174.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.446 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 47.9 mt-30 -64.14 -42.84 96.65 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.163 0.506 . . . . 2.5 109.959 176.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -51.6 -52.1 50.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.159 -0.928 . . . . 2.78 109.651 173.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -56.47 -50.22 72.36 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.321 -0.854 . . . . 0.21 110.85 177.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.7 -18.76 56.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.206 -0.452 . . . . 1.93 111.889 -175.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 64.9 mtp180 -64.05 -16.41 61.65 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.679 0.276 . . . . 2.84 111.02 176.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.437 ' O ' ' HA ' ' A' ' 29' ' ' GLU . 80.5 p -77.99 -25.62 48.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.963 0.411 . . . . 1.28 110.419 175.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -86.93 -55.5 3.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.4 109.723 177.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.1 p -80.62 102.24 9.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.246 -0.434 . . . . 2.22 110.49 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.68 -19.81 35.41 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.885 -0.674 . . . . 3.5 111.608 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 25' ' ' THR . 37.6 tt0 60.33 32.62 20.75 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.507 0.67 . . . . 6.58 111.015 178.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -109.25 -79.98 0.58 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.28 -0.418 . . . . 8.46 110.339 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.599 0 CA-C-N 116.705 -0.225 . . . . 6.36 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 109.887 -0.412 . . . . 4.3 109.887 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -78.27 163.88 27.2 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.272 1.981 . . . . 0.63 111.987 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.456 ' HB3' HD22 ' A' ' 19' ' ' LEU . 98.8 m-85 -97.48 92.68 6.06 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.603 -0.726 . . . . 0.25 109.101 176.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.46 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 41.5 t -65.68 136.84 56.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.928 -0.578 . . . . 0.33 109.502 174.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.0 p -121.38 36.06 4.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.134 0.492 . . . . 1.31 111.088 -178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 14.0 t-105 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.167 -0.47 . . . . 0.82 110.395 -178.284 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.0 t -66.19 125.14 24.62 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.77 -0.65 . . . . 0.41 109.258 172.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -142.53 60.91 0.53 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.338 -0.934 . . . . 0.3 113.468 -174.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HD2' ' CE1' ' A' ' 22' ' ' HIS . 68.6 mttm -77.55 137.55 38.67 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.622 -0.51 . . . . 2.05 109.622 173.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 12' ' ' ARG . 62.0 mtt180 -100.23 132.51 45.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.03 0.443 . . . . 3.36 111.039 -179.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -123.55 153.92 39.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.897 -0.592 . . . . 0.22 110.025 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -94.12 -0.35 55.35 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.256 0.55 . . . . 0.95 110.638 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -137.29 136.31 37.91 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.07 -0.514 . . . . 3.12 110.426 -177.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.443 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 9.2 p -67.68 -33.83 75.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.005 -0.543 . . . . 1.22 110.818 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -64.27 -33.51 75.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.886 -0.597 . . . . 2.15 110.599 176.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -75.31 -34.9 61.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.075 -0.511 . . . . 2.28 110.525 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.456 HD22 ' HB3' ' A' ' 3' ' ' PHE . 50.5 tp -65.78 -46.82 77.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.444 -0.344 . . . . 0.17 110.343 174.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.404 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 62.8 tt0 -59.05 -47.14 86.32 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.353 0.597 . . . . 2.5 109.889 176.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -52.54 -50.03 63.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.852 -1.067 . . . . 2.78 110.281 175.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.408 ' CE1' ' HD2' ' A' ' 11' ' ' LYS . 50.1 t60 -59.94 -44.2 94.53 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.965 -0.562 . . . . 0.21 110.95 178.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -61.17 -21.15 63.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.697 0.284 . . . . 1.93 111.192 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 79.9 mtp180 -67.78 -4.42 12.41 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.428 -0.351 . . . . 2.84 111.259 176.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.1 p -86.68 -28.68 23.0 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.182 0.515 . . . . 1.28 109.861 173.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -81.62 -46.98 13.61 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.209 -0.663 . . . . 0.4 109.209 176.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.8 m -106.23 66.65 0.71 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.727 0.775 . . . . 2.22 109.508 176.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.47 161.42 33.89 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.347 -0.842 . . . . 3.5 112.396 -177.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -87.3 78.98 8.65 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.499 -0.556 . . . . 6.58 109.499 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -132.52 96.64 3.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.309 0.576 . . . . 8.46 110.08 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.777 0 CA-C-N 116.041 -0.527 . . . . 6.36 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 110.104 -0.332 . . . . 4.3 110.104 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.05 166.48 27.84 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.506 2.138 . . . . 0.63 112.292 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -88.9 84.75 6.64 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.14 -0.689 . . . . 0.25 109.14 178.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . 0.556 ' HA ' ' HA ' ' A' ' 12' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.635 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 46.1 t -70.84 142.11 51.26 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.792 -0.64 . . . . 0.33 109.533 173.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.5 p -131.84 50.12 2.26 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.077 0.465 . . . . 1.31 110.697 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.4 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 35.7 t-105 . . . . . 0 C--N 1.327 -0.385 0 CA-C-O 121.091 0.472 . . . . 0.82 110.294 -177.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 7' ' ' TRP . 19.4 t -65.96 115.76 6.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.851 -0.613 . . . . 0.41 109.702 175.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.635 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -125.9 46.46 1.08 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.87 -0.681 . . . . 0.3 113.222 -175.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -71.39 128.59 36.38 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.664 -0.495 . . . . 2.05 109.664 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.556 ' HA ' ' HA ' ' A' ' 4' ' ' NLE . 37.3 ptt180 -105.24 147.27 28.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.123 0.487 . . . . 3.36 111.733 -174.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -132.24 157.36 44.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.576 -0.738 . . . . 0.22 110.921 -176.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.9 p -98.19 -1.22 42.62 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.145 -0.479 . . . . 0.95 111.158 177.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.422 ' HB2' ' HG2' ' A' ' 18' ' ' GLU . 40.0 mtm180 -135.66 138.9 43.29 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.001 0.429 . . . . 3.12 110.354 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.9 t -62.71 -32.83 74.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.681 -0.69 . . . . 1.22 110.008 176.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -58.24 -43.89 88.0 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.927 -0.579 . . . . 2.15 110.305 176.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.422 ' HG2' ' HB2' ' A' ' 15' ' ' ARG . 70.7 mm-40 -64.66 -44.41 90.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.621 -0.718 . . . . 2.28 110.495 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.5 tp -64.32 -39.55 94.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.17 110.812 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -62.17 -49.13 77.06 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.124 0.488 . . . . 2.5 110.454 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 99.1 mtt180 -58.92 -45.09 91.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.668 -0.696 . . . . 2.78 109.924 178.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -61.67 -42.92 99.58 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.649 -0.705 . . . . 0.21 110.98 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -54.26 -29.81 48.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.648 -0.251 . . . . 1.93 111.169 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 21' ' ' ARG . 99.8 mtt180 -61.34 -22.67 65.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.346 -0.388 . . . . 2.84 111.687 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.2 p -72.28 -28.06 62.87 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-O 120.929 0.395 . . . . 1.28 110.33 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -92.43 -34.68 14.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.024 -0.534 . . . . 0.4 110.567 179.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.2 p -103.64 34.37 3.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.926 -0.579 . . . . 2.22 111.412 -174.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.25 33.2 5.41 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.206 -0.758 . . . . 3.5 111.206 177.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -119.0 21.43 12.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.689 0.757 . . . . 6.58 109.578 -178.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -108.87 92.53 4.09 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.634 -0.712 . . . . 8.46 109.997 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.703 0 CA-C-N 116.296 -0.411 . . . . 6.36 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 110.231 -0.285 . . . . 4.3 110.231 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -79.79 146.93 19.01 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 122.235 1.957 . . . . 0.63 111.321 174.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.474 ' HB3' HD22 ' A' ' 19' ' ' LEU . 99.6 m-85 -81.23 89.98 6.06 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.234 -0.654 . . . . 0.25 109.234 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.558 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 41.0 t -71.47 137.67 48.4 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.807 -0.633 . . . . 0.33 109.601 174.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.4 p -127.18 46.74 2.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.195 0.521 . . . . 1.31 110.981 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 14.2 t-105 . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 116.041 -0.527 . . . . 0.82 110.43 -177.686 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.2 t -68.05 116.61 8.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.427 -0.806 . . . . 0.41 109.48 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.558 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -131.77 61.48 0.66 Allowed Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.69 -0.767 . . . . 0.3 112.674 -175.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -85.6 133.34 34.06 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.587 -0.523 . . . . 2.05 109.587 177.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 74.9 mtt85 -100.58 135.19 42.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.572 -0.285 . . . . 3.36 111.357 -175.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -122.36 150.72 42.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.175 -0.466 . . . . 0.22 110.63 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -89.17 -14.52 35.91 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.824 -0.625 . . . . 0.95 110.37 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -131.45 135.52 47.2 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.441 0.638 . . . . 3.12 110.944 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.9 t -64.42 -32.0 73.45 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.166 -0.925 . . . . 1.22 111.17 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.34 -33.86 76.82 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.334 -0.394 . . . . 2.15 110.428 176.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -75.77 -34.83 60.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.95 -0.568 . . . . 2.28 110.729 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 3' ' ' PHE . 60.7 tp -63.87 -46.64 84.04 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.777 -0.369 . . . . 0.17 110.286 174.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -62.42 -43.92 97.67 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.129 0.49 . . . . 2.5 110.277 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -51.42 -54.1 30.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.149 -0.932 . . . . 2.78 109.801 174.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.492 ' O ' HG22 ' A' ' 25' ' ' THR . 46.8 t60 -57.23 -44.8 84.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.199 -0.91 . . . . 0.21 111.12 178.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 19' ' ' LEU . 33.7 mmtp -56.46 -28.92 60.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.565 -0.289 . . . . 1.93 111.48 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 27' ' ' THR . 17.8 mtp180 -66.11 -8.22 22.42 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 116.475 -0.33 . . . . 2.84 111.719 179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 22' ' ' HIS . 1.5 t -83.99 -28.0 28.05 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.658 -0.497 . . . . 1.28 109.658 175.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -82.88 -44.74 15.05 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.533 -0.543 . . . . 0.4 109.533 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' A' ' 24' ' ' ARG . 13.3 t -159.8 147.15 16.68 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.754 -0.657 . . . . 2.22 109.731 177.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 135.81 49.75 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.387 -0.685 . . . . 3.5 111.387 -175.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -82.36 71.08 9.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.866 0.365 . . . . 6.58 110.443 -177.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -73.72 91.44 1.91 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.82 -0.627 . . . . 8.46 110.798 -177.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.756 0 CA-C-N 116.289 -0.414 . . . . 6.36 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 110.223 -0.288 . . . . 4.3 110.223 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -78.95 133.3 11.1 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.031 1.821 . . . . 0.63 111.151 174.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -83.33 94.3 7.91 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.334 0.588 . . . . 0.25 110.202 -177.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.8 t -64.51 142.48 58.41 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.026 -0.534 . . . . 0.33 109.974 174.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.2 p -118.5 30.65 7.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.124 -0.489 . . . . 1.31 111.365 -176.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 . . . . . 0 C--N 1.321 -0.632 0 N-CA-C 109.469 -0.567 . . . . 0.82 109.469 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.9 t -75.46 118.66 18.57 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.808 0.337 . . . . 0.41 110.325 -178.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.71 51.99 0.59 Allowed Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.961 -0.638 . . . . 0.3 112.434 -178.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -67.54 142.86 56.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.666 0.27 . . . . 2.05 110.505 174.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -108.65 130.83 55.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.287 -0.415 . . . . 3.36 110.848 -178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -117.75 168.12 10.75 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.545 -0.752 . . . . 0.22 110.202 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 p -99.72 -16.58 18.1 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.074 0.398 . . . . 0.95 112.074 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.426 ' HB2' ' HG3' ' A' ' 18' ' ' GLU . 69.7 mtp180 -132.83 143.55 49.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.038 0.447 . . . . 3.12 110.281 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.7 m -58.04 -33.03 68.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.637 -0.711 . . . . 1.22 111.386 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.63 -36.24 82.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.437 -0.347 . . . . 2.15 110.68 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.426 ' HG3' ' HB2' ' A' ' 15' ' ' ARG . 51.1 mt-10 -61.08 -46.55 90.17 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.342 0.592 . . . . 2.28 109.511 176.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.6 tp -66.55 -43.14 85.88 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.028 -0.987 . . . . 0.17 111.145 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -63.56 -45.89 88.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.797 0.332 . . . . 2.5 111.011 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -58.38 -45.02 89.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.818 -0.628 . . . . 2.78 109.746 175.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -57.81 -47.72 81.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.797 -0.638 . . . . 0.21 110.535 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -57.87 -25.91 61.39 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.28 -0.418 . . . . 1.93 111.843 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -62.53 -26.7 68.7 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.836 -0.346 . . . . 2.84 110.891 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.2 p -73.27 -25.66 60.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.924 0.393 . . . . 1.28 110.831 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -82.41 -37.67 25.19 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.174 0.511 . . . . 0.4 109.71 175.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.1 m -63.34 -36.99 85.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.334 -0.848 . . . . 2.22 110.967 -177.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -176.3 -169.45 37.77 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.411 -0.899 . . . . 3.5 112.211 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -140.98 -32.24 0.57 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.983 0.421 . . . . 6.58 110.321 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -62.4 -67.24 0.43 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.853 -0.612 . . . . 8.46 110.547 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.667 0 CA-C-N 116.383 -0.371 . . . . 6.36 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 N--CA 1.483 1.19 0 N-CA-C 110.147 -0.316 . . . . 4.3 110.147 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -70.47 145.76 53.94 Favored 'Trans proline' 0 C--O 1.236 0.407 0 C-N-CA 122.204 1.936 . . . . 0.63 112.015 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.502 ' HB3' HD22 ' A' ' 19' ' ' LEU . 91.1 m-85 -87.77 109.17 19.53 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.71 -0.677 . . . . 0.25 109.7 -178.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.457 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 37.1 t -67.68 133.82 50.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.141 -0.481 . . . . 0.33 110.02 174.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 p -108.81 19.95 19.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.276 -0.42 . . . . 1.31 111.787 -176.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 . . . . . 0 C--N 1.325 -0.488 0 CA-C-O 121.018 0.437 . . . . 0.82 110.096 -178.87 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.2 t -87.97 129.62 35.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.147 -0.478 . . . . 0.41 109.855 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . -149.51 43.53 0.76 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.645 -0.788 . . . . 0.3 112.892 -177.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -61.69 143.47 56.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.747 0.308 . . . . 2.05 111.014 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 -100.79 142.09 32.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 3.36 110.534 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -131.85 147.08 52.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.878 -0.601 . . . . 0.22 109.999 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.4 m -85.31 -13.18 50.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.301 0.572 . . . . 0.95 110.484 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -131.97 134.58 45.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.038 -0.528 . . . . 3.12 110.616 -176.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.443 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . 3.7 p -66.47 -29.77 69.97 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.671 -0.695 . . . . 1.22 111.743 -175.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -68.29 -31.73 71.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.875 0.369 . . . . 2.15 110.418 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -68.42 -39.98 81.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.248 -0.433 . . . . 2.28 109.852 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.502 HD22 ' HB3' ' A' ' 3' ' ' PHE . 46.5 tp -64.44 -45.28 88.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.864 -0.607 . . . . 0.17 110.728 176.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -60.72 -49.16 78.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.047 0.451 . . . . 2.5 110.457 177.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.6 ttt-85 -56.34 -43.96 79.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.576 -0.738 . . . . 2.78 109.93 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -60.76 -47.11 87.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.534 -0.757 . . . . 0.21 110.679 177.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -60.14 -22.49 62.91 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.74 0.305 . . . . 1.93 111.326 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -70.77 -6.32 36.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.321 -0.4 . . . . 2.84 111.351 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.6 p -83.39 -32.26 26.27 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.542 -0.54 . . . . 1.28 109.542 171.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -81.24 -13.89 58.05 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 121.616 0.722 . . . . 0.4 109.287 174.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.5 p 54.21 51.73 13.9 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 114.032 -1.44 . . . . 2.22 111.678 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.43 144.28 47.55 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.344 -0.844 . . . . 3.5 111.404 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -82.04 103.02 11.37 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.146 0.498 . . . . 6.58 110.979 -172.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -109.34 -70.95 0.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.616 -0.72 . . . . 8.46 109.882 176.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.652 0 CA-C-N 116.184 -0.462 . . . . 6.36 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_