data_6pi3_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 6pi3 _Structure_validation_residue.Date_analyzed 2019-09-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.6 p90 . . . . . 0 N--CA 1.441 -0.877 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -103.55 129.72 50.82 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 48.7 t -116.47 126.59 74.01 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.7 m -109.38 109.22 20.03 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 174.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -126.8 109.73 12.32 Favored 'General case' 0 N--CA 1.425 -1.709 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.283 -173.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 65.13 24.88 12.44 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.729 0.812 . . . . 0.0 111.574 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.23 -10.13 59.74 Favored Glycine 0 C--N 1.307 -1.076 0 N-CA-C 111.688 -0.565 . . . . 0.0 111.688 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.2 mm -96.77 108.58 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.236 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 80.7 m -99.25 122.41 42.38 Favored 'General case' 0 C--N 1.294 -1.848 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 176.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -136.1 153.31 51.35 Favored 'General case' 0 C--N 1.285 -2.2 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.647 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -89.61 135.16 33.77 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.9 tttt . . . . . 0 C--N 1.286 -2.154 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.125 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.3 p90 . . . . . 0 N--CA 1.421 -1.877 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -107.73 128.64 54.75 Favored 'General case' 0 C--N 1.288 -2.088 0 CA-C-O 121.099 0.476 . . . . 0.0 110.405 -177.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 85.7 t -112.18 135.8 50.37 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.6 m -108.32 114.44 28.31 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 175.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -125.82 105.6 9.07 Favored 'General case' 0 N--CA 1.409 -2.475 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.702 -175.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 61.36 32.97 19.05 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 124.046 0.939 . . . . 0.0 111.684 177.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.17 -15.9 58.69 Favored Glycine 0 N--CA 1.442 -0.928 0 CA-C-N 115.329 -0.851 . . . . 0.0 112.251 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.2 mm -92.2 109.64 21.7 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 84.5 m -99.76 110.0 22.41 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 177.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -123.33 156.57 35.08 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.159 -174.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -99.2 123.78 43.75 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.93 -176.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt . . . . . 0 C--N 1.303 -1.414 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 175.027 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.4 p90 . . . . . 0 N--CA 1.439 -0.98 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -93.32 123.56 36.7 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.914 -176.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.4 t -117.08 132.03 68.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 98.9 m -109.53 108.77 19.36 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 175.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -118.14 110.76 18.0 Favored 'General case' 0 N--CA 1.416 -2.171 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.75 -174.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 64.94 23.22 12.57 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.43 1.092 . . . . 0.0 111.111 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.2 -14.85 59.56 Favored Glycine 0 N--CA 1.436 -1.322 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.589 -178.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.1 mm -87.93 110.77 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.954 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.1 m -99.17 124.39 44.19 Favored 'General case' 0 C--N 1.285 -2.212 0 CA-C-O 121.473 0.654 . . . . 0.0 109.659 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -137.43 166.56 23.54 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.09 -178.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -120.17 119.94 34.73 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.127 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 95.3 mttt . . . . . 0 C--N 1.306 -1.292 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 175.165 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.0 p90 . . . . . 0 N--CA 1.43 -1.46 0 CA-C-O 120.842 0.353 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -91.93 128.23 37.69 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.432 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.471 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 56.2 t -119.94 127.22 75.88 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 178.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.7 m -109.47 108.76 19.38 Favored 'General case' 0 C--N 1.284 -2.274 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 175.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -110.45 109.87 20.41 Favored 'General case' 0 N--CA 1.414 -2.231 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 -176.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 65.62 20.44 11.59 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 123.724 0.64 . . . . 0.0 111.679 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.14 -8.91 67.58 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.993 -0.622 . . . . 0.0 111.587 -177.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.4 mm -87.57 108.32 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.1 m -99.97 130.29 46.13 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-O 121.546 0.688 . . . . 0.0 111.919 -175.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.471 ' CE1' ' HB ' ' A' ' 6' ' ' VAL . 24.3 p90 -142.13 168.44 19.74 Favored 'General case' 0 C--N 1.292 -1.908 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.234 178.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -116.12 133.97 55.44 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 120.548 -0.461 . . . . 0.0 109.844 177.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.6 mttm . . . . . 0 C--N 1.294 -1.819 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.886 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.6 p90 . . . . . 0 CA--C 1.508 -0.662 0 CA-C-O 120.388 0.137 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -97.13 126.08 42.06 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 48.0 t -108.95 120.31 60.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 176.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.9 m -109.83 116.9 32.5 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -140.07 114.75 9.43 Favored 'General case' 0 N--CA 1.419 -2.002 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -176.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 56.7 29.21 15.41 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 125.944 1.698 . . . . 0.0 113.305 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.36 -10.49 63.28 Favored Glycine 0 C--N 1.308 -0.986 0 N-CA-C 111.636 -0.585 . . . . 0.0 111.636 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.5 mm -96.67 106.1 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.718 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 72.1 m -105.93 132.75 51.66 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 177.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -146.88 166.03 27.97 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.127 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -104.92 137.0 43.36 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt . . . . . 0 C--N 1.305 -1.339 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 174.241 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.8 p90 . . . . . 0 N--CA 1.431 -1.403 0 CA-C-O 120.962 0.41 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -88.83 112.16 22.91 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.807 -177.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 54.5 t -108.89 125.38 65.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 177.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.4 m -109.33 109.66 20.61 Favored 'General case' 0 C--N 1.286 -2.177 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -114.91 109.82 18.71 Favored 'General case' 0 N--CA 1.426 -1.631 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -176.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 62.79 24.03 14.32 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.27 1.028 . . . . 0.0 111.171 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.83 -15.78 58.01 Favored Glycine 0 N--CA 1.44 -1.057 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.399 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.2 mm -83.76 109.81 17.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 75.8 m -99.38 125.18 45.02 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -132.44 160.08 37.45 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.026 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -103.47 116.77 33.02 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.7 tttm . . . . . 0 C--N 1.283 -2.304 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 179.153 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.46 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 28.4 p90 . . . . . 0 N--CA 1.438 -1.063 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -102.56 105.94 16.54 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.222 -173.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.582 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 57.6 t -94.2 127.76 45.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 93.9 m -109.74 108.87 19.39 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -125.98 106.1 9.38 Favored 'General case' 0 N--CA 1.425 -1.71 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.378 -174.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 65.3 34.25 8.47 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 121.621 0.724 . . . . 0.0 110.105 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.19 -10.04 67.65 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.084 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.6 mm -86.51 104.42 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.582 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 78.0 m -99.79 123.08 43.68 Favored 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -135.04 155.75 50.22 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.46 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 28.3 ptt180 -107.51 110.46 22.4 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.778 0.799 . . . . 0.0 111.382 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt . . . . . 0 C--N 1.298 -1.663 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 -179.391 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.6 p90 . . . . . 0 N--CA 1.442 -0.84 0 CA-C-O 120.417 0.151 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -103.09 127.14 50.47 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -177.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.6 t -115.38 133.62 61.1 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 177.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 73.7 m -109.09 109.06 19.97 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -114.43 99.81 7.85 Favored 'General case' 0 N--CA 1.411 -2.411 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.638 -175.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? 68.88 30.36 4.69 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.226 1.01 . . . . 0.0 110.761 177.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.05 -21.67 43.62 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.012 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.7 mm -84.32 108.2 16.3 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 84.6 m -99.06 116.29 30.94 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -126.69 160.56 30.42 Favored 'General case' 0 N--CA 1.427 -1.617 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.127 -177.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -102.61 129.61 49.24 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.5 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp . . . . . 0 C--N 1.299 -1.593 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 175.796 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.7 p90 . . . . . 0 N--CA 1.43 -1.449 0 CA-C-O 120.89 0.376 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -79.43 117.86 20.79 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.374 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 53.5 t -108.46 122.17 62.58 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.9 m -109.23 109.17 20.04 Favored 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 174.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -114.09 97.75 6.55 Favored 'General case' 0 N--CA 1.411 -2.422 0 CA-C-N 114.801 -1.09 . . . . 0.0 108.591 -175.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 60.24 34.76 20.94 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 123.972 0.909 . . . . 0.0 110.932 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.98 -20.25 48.57 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.605 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.7 mm -82.62 99.86 5.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 74.0 m -99.76 123.95 44.53 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 121.021 0.439 . . . . 0.0 111.033 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -142.65 169.2 18.02 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.214 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.85 111.82 24.51 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--N 1.282 -2.328 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -178.214 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.5 p90 . . . . . 0 N--CA 1.435 -1.21 0 CA-C-O 120.612 0.244 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -98.02 118.96 35.79 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 54.4 t -100.35 122.82 52.75 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.7 m -108.88 109.91 21.12 Favored 'General case' 0 C--N 1.279 -2.46 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 176.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -121.1 105.72 10.87 Favored 'General case' 0 N--CA 1.418 -2.064 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -175.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 63.56 33.73 13.13 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.698 0.799 . . . . 0.0 110.828 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.82 -21.73 43.22 Favored Glycine 0 C--O 1.242 0.647 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.293 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.6 mm -86.52 110.04 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.263 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 85.8 m -101.11 124.88 47.51 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.723 -178.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -132.23 158.28 42.19 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.164 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -89.73 135.27 33.72 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.3 tttt . . . . . 0 C--N 1.283 -2.31 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 175.764 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.1 p90 . . . . . 0 CA--C 1.503 -0.829 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -88.39 119.52 28.89 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 123.595 0.559 . . . . 0.0 110.516 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.6 t -108.22 127.99 64.05 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.04 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 177.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 71.6 m -109.82 119.43 39.33 Favored 'General case' 0 C--N 1.28 -2.453 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 176.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -122.72 100.26 6.82 Favored 'General case' 0 N--CA 1.415 -2.217 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -178.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 66.06 34.25 7.04 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.55 1.14 . . . . 0.0 111.075 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.35 -24.82 30.64 Favored Glycine 0 C--N 1.309 -0.933 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.012 178.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.3 mm -82.33 108.44 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 73.2 m -99.67 131.78 45.44 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.78 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -143.59 166.24 25.39 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -115.68 145.03 43.11 Favored 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.77 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.9 mttm . . . . . 0 C--N 1.302 -1.459 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.72 176.749 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.5 p90 . . . . . 0 N--CA 1.439 -0.98 0 CA-C-O 121.002 0.43 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -87.35 118.78 27.02 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-O 121.176 0.512 . . . . 0.0 110.723 -177.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 42.7 t -109.26 125.32 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.109 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.2 m -109.58 109.7 20.55 Favored 'General case' 0 C--N 1.284 -2.258 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 175.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -115.29 103.44 10.82 Favored 'General case' 0 N--CA 1.425 -1.684 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.876 -174.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 61.92 28.15 17.14 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.19 0.996 . . . . 0.0 111.596 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.55 -8.37 58.38 Favored Glycine 0 C--O 1.239 0.447 0 C-N-CA 121.332 -0.461 . . . . 0.0 112.767 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.5 mm -97.97 111.12 27.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 78.5 m -102.13 124.55 47.93 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 120.873 0.368 . . . . 0.0 111.282 -177.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -132.37 164.85 25.57 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -111.57 111.1 21.87 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 177.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--N 1.29 -2.013 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -176.974 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.9 p90 . . . . . 0 N--CA 1.425 -1.694 0 CA-C-O 121.294 0.569 . . . . 0.0 112.005 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -89.75 119.14 29.89 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.575 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 49.0 t -110.36 125.68 67.62 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 176.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.3 m -108.56 108.97 20.08 Favored 'General case' 0 C--N 1.286 -2.164 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 176.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -116.25 106.21 13.42 Favored 'General case' 0 N--CA 1.418 -2.039 0 CA-C-N 114.583 -1.19 . . . . 0.0 108.194 -175.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 63.78 29.12 14.85 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.674 0.79 . . . . 0.0 112.186 176.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.42 -14.55 59.38 Favored Glycine 0 N--CA 1.444 -0.777 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.377 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.3 mm -95.08 113.08 28.72 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 80.2 m -99.51 116.82 32.54 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.182 0.515 . . . . 0.0 109.969 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -124.16 170.61 10.55 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.208 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -104.94 126.44 52.02 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.0 tttt . . . . . 0 C--N 1.288 -2.069 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 177.649 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.1 p90 . . . . . 0 N--CA 1.441 -0.883 0 CA-C-O 120.738 0.304 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -91.77 130.42 37.55 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.326 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.0 t -123.73 127.43 73.87 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 174.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.3 m -109.38 116.48 31.93 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 176.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -124.29 103.11 8.04 Favored 'General case' 0 N--CA 1.422 -1.87 0 CA-C-N 115.005 -0.998 . . . . 0.0 108.567 -176.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 67.04 25.35 9.24 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.167 0.987 . . . . 0.0 110.984 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.93 -10.3 62.08 Favored Glycine 0 C--N 1.311 -0.847 0 C-N-CA 121.07 -0.586 . . . . 0.0 111.666 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.8 mm -88.32 104.35 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.5 m -99.35 112.62 24.77 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.515 0.674 . . . . 0.0 110.003 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -126.58 167.45 15.64 Favored 'General case' 0 C--N 1.287 -2.152 0 CA-C-N 115.105 -0.952 . . . . 0.0 108.869 -177.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -111.39 142.47 43.6 Favored 'General case' 0 C--N 1.288 -2.102 0 CA-C-O 121.224 0.535 . . . . 0.0 110.538 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp . . . . . 0 C--N 1.294 -1.808 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 174.637 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.3 p90 . . . . . 0 N--CA 1.433 -1.284 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -109.19 120.29 42.07 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 120.884 0.373 . . . . 0.0 110.01 -176.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 59.9 t -104.76 134.72 45.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -178.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 75.7 m -108.97 108.3 18.98 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 175.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -119.21 109.99 16.5 Favored 'General case' 0 N--CA 1.418 -2.043 0 CA-C-N 114.654 -1.157 . . . . 0.0 108.028 -173.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.5 mtm180 63.16 31.76 15.51 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.812 0.845 . . . . 0.0 110.842 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.46 -23.52 33.39 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.091 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.7 mm -84.71 114.61 25.27 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 67.7 m -99.45 124.56 44.71 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -134.83 151.67 51.12 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.364 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -95.82 128.38 42.66 Favored 'General case' 0 C--N 1.288 -2.094 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.786 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.8 mttt . . . . . 0 C--N 1.309 -1.185 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 175.964 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.0 p90 . . . . . 0 N--CA 1.44 -0.966 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -112.45 126.13 54.97 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 120.741 0.305 . . . . 0.0 110.31 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 61.9 t -108.76 131.79 58.47 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.0 m -109.83 109.13 19.69 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 174.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -117.13 101.58 8.59 Favored 'General case' 0 N--CA 1.414 -2.247 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.031 -175.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 64.58 28.44 13.29 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.21 1.004 . . . . 0.0 110.72 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.67 -12.74 59.57 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.159 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.6 mm -87.15 103.69 13.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 71.7 m -99.85 116.79 32.74 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -130.07 160.23 34.34 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.858 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -99.04 133.55 43.15 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--N 1.285 -2.22 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.149 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.2 p90 . . . . . 0 N--CA 1.422 -1.851 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -105.35 129.83 53.6 Favored 'General case' 0 C--N 1.287 -2.11 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.516 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 59.6 t -107.27 125.44 63.48 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.429 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.4 m -108.95 109.1 20.08 Favored 'General case' 0 C--N 1.279 -2.466 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 171.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -115.58 101.05 8.51 Favored 'General case' 0 N--CA 1.411 -2.376 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 -175.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 65.06 26.33 12.57 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.482 0.713 . . . . 0.0 111.228 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.29 -13.01 60.22 Favored Glycine 0 N--CA 1.439 -1.125 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.732 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.1 mm -86.94 102.74 12.5 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 178.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.516 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 80.8 m -99.25 116.62 31.87 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 120.97 0.414 . . . . 0.0 110.908 -178.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -132.67 161.16 34.68 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.674 -179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -94.52 122.95 37.63 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.1 tttt . . . . . 0 C--N 1.287 -2.137 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 179.095 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.3 p90 . . . . . 0 N--CA 1.426 -1.647 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -105.7 122.76 46.73 Favored 'General case' 0 N--CA 1.421 -1.922 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 58.3 t -100.15 129.47 50.81 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.997 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 179.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.1 m -108.81 109.8 21.01 Favored 'General case' 0 C--N 1.284 -2.241 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 177.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -129.16 124.79 35.56 Favored 'General case' 0 N--CA 1.418 -2.046 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 -177.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 53.51 27.89 7.08 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 125.355 1.462 . . . . 0.0 113.731 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.68 -11.93 64.58 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.775 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.4 mm -97.1 109.58 23.45 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.286 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 78.7 m -99.71 118.74 36.86 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.282 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -128.1 168.11 15.82 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.093 -177.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -110.9 130.32 55.62 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -175.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt . . . . . 0 C--O 1.244 0.771 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 174.202 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.6 p90 . . . . . 0 N--CA 1.435 -1.199 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -89.63 122.6 32.91 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -176.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.525 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 47.1 t -113.16 132.06 63.07 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.038 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.9 m -110.02 109.9 20.64 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -123.84 120.56 32.96 Favored 'General case' 0 N--CA 1.423 -1.814 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 55.27 24.87 6.81 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 125.715 1.606 . . . . 0.0 113.429 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.46 -3.41 59.53 Favored Glycine 0 C--N 1.313 -0.714 0 N-CA-C 111.899 -0.481 . . . . 0.0 111.899 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.5 mm -103.6 108.35 24.31 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 68.4 m -99.85 127.09 46.04 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -133.6 164.53 26.97 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.117 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -101.53 104.3 15.2 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 177.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.6 tttm . . . . . 0 N--CA 1.422 -1.832 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -179.264 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.3 p90 . . . . . 0 N--CA 1.433 -1.289 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -84.76 131.04 34.6 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 120.829 0.347 . . . . 0.0 110.114 178.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.5 t -119.49 129.29 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.67 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 177.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.2 m -108.72 109.46 20.63 Favored 'General case' 0 C--N 1.277 -2.554 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 174.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -110.12 101.79 10.55 Favored 'General case' 0 N--CA 1.412 -2.363 0 CA-C-N 114.376 -1.283 . . . . 0.0 108.205 -175.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 63.33 31.0 15.53 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 124.1 0.96 . . . . 0.0 111.397 177.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.44 -9.91 59.27 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.813 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.2 mm -96.42 112.13 27.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.9 m -100.03 124.66 45.64 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.207 0.527 . . . . 0.0 111.317 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -143.98 167.12 23.12 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.836 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -90.77 136.55 33.0 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 174.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.2 tttt . . . . . 0 C--N 1.273 -2.755 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 176.287 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm . . . . . 0 CA--C 1.504 -0.811 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 54.2 t90 -85.2 125.08 32.56 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.3 m -132.07 133.02 43.89 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -110.34 160.11 16.85 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -103.55 129.72 50.82 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 48.7 t -116.47 126.59 74.01 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.7 m -109.38 109.22 20.03 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 174.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -126.8 109.73 12.32 Favored 'General case' 0 N--CA 1.425 -1.709 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.283 -173.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 65.13 24.88 12.44 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.729 0.812 . . . . 0.0 111.574 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.23 -10.13 59.74 Favored Glycine 0 C--N 1.307 -1.076 0 N-CA-C 111.688 -0.565 . . . . 0.0 111.688 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.2 mm -96.77 108.58 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.236 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 80.7 m -99.25 122.41 42.38 Favored 'General case' 0 C--N 1.294 -1.848 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 176.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -136.1 153.31 51.35 Favored 'General case' 0 C--N 1.285 -2.2 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.647 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -89.61 135.16 33.77 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -121.45 117.36 26.68 Favored 'General case' 0 C--N 1.286 -2.154 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.7 m -100.75 148.01 25.39 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.664 -175.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -106.28 87.08 2.47 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 121.266 0.555 . . . . 0.0 109.792 174.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.659 0 CA-C-N 115.993 -0.548 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt . . . . . 0 CA--C 1.503 -0.83 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -82.61 113.54 20.38 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.3 m -126.53 156.18 41.2 Favored 'General case' 0 N--CA 1.417 -2.115 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.06 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -137.43 148.37 46.08 Favored 'General case' 0 N--CA 1.421 -1.877 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.657 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -107.73 128.64 54.75 Favored 'General case' 0 C--N 1.288 -2.088 0 CA-C-O 121.099 0.476 . . . . 0.0 110.405 -177.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 85.7 t -112.18 135.8 50.37 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.6 m -108.32 114.44 28.31 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 175.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -125.82 105.6 9.07 Favored 'General case' 0 N--CA 1.409 -2.475 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.702 -175.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 61.36 32.97 19.05 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 124.046 0.939 . . . . 0.0 111.684 177.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.17 -15.9 58.69 Favored Glycine 0 N--CA 1.442 -0.928 0 CA-C-N 115.329 -0.851 . . . . 0.0 112.251 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.2 mm -92.2 109.64 21.7 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 84.5 m -99.76 110.0 22.41 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 177.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -123.33 156.57 35.08 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.159 -174.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -99.2 123.78 43.75 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.93 -176.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -109.17 143.86 38.01 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 175.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.6 m -132.18 147.61 52.43 Favored 'General case' 0 C--N 1.297 -1.685 0 C-N-CA 120.394 -0.522 . . . . 0.0 111.126 -177.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -106.83 -80.43 0.56 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 174.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.108 0 O-C-N 122.287 -0.258 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 CA--C 1.505 -0.781 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -68.0 132.65 47.67 Favored 'General case' 0 C--O 1.249 1.031 0 O-C-N 123.651 0.594 . . . . 0.0 110.464 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.446 ' HB3' ' HB3' ' A' ' 14' ' ' ARG . 16.4 m -137.74 132.94 33.52 Favored 'General case' 0 N--CA 1.427 -1.605 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -179.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -100.47 143.11 31.04 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 175.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -93.32 123.56 36.7 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.914 -176.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.4 t -117.08 132.03 68.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 98.9 m -109.53 108.77 19.36 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 175.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -118.14 110.76 18.0 Favored 'General case' 0 N--CA 1.416 -2.171 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.75 -174.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 64.94 23.22 12.57 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.43 1.092 . . . . 0.0 111.111 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.2 -14.85 59.56 Favored Glycine 0 N--CA 1.436 -1.322 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.589 -178.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.1 mm -87.93 110.77 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.954 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.1 m -99.17 124.39 44.19 Favored 'General case' 0 C--N 1.285 -2.212 0 CA-C-O 121.473 0.654 . . . . 0.0 109.659 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -137.43 166.56 23.54 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.09 -178.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.446 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . 87.2 mtm180 -120.17 119.94 34.73 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.127 -178.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 95.3 mttt -87.06 115.05 24.18 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 175.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.9 m -99.9 131.88 45.59 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 121.254 0.55 . . . . 0.0 112.366 -175.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -132.78 86.18 2.29 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.112 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 CA-C-N 116.544 -0.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.45 ' H3 ' ' HD2' ' A' ' 1' ' ' LYS . 12.1 mptt . . . . . 0 CA--C 1.512 -0.503 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 -81.9 117.15 21.92 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 120.956 0.408 . . . . 0.0 110.261 178.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.7 m -115.5 138.64 50.83 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.684 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -128.63 142.35 51.06 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -91.93 128.23 37.69 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.432 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.471 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 56.2 t -119.94 127.22 75.88 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 178.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.7 m -109.47 108.76 19.38 Favored 'General case' 0 C--N 1.284 -2.274 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 175.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -110.45 109.87 20.41 Favored 'General case' 0 N--CA 1.414 -2.231 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 -176.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 65.62 20.44 11.59 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 123.724 0.64 . . . . 0.0 111.679 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.14 -8.91 67.58 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.993 -0.622 . . . . 0.0 111.587 -177.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.4 mm -87.57 108.32 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.1 m -99.97 130.29 46.13 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-O 121.546 0.688 . . . . 0.0 111.919 -175.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.471 ' CE1' ' HB ' ' A' ' 6' ' ' VAL . 24.3 p90 -142.13 168.44 19.74 Favored 'General case' 0 C--N 1.292 -1.908 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.234 178.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -116.12 133.97 55.44 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 120.548 -0.461 . . . . 0.0 109.844 177.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -106.21 125.23 50.75 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.7 m -108.45 123.87 49.53 Favored 'General case' 0 C--N 1.286 -2.181 0 CA-C-O 121.092 0.472 . . . . 0.0 110.857 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -126.08 -85.5 0.62 Allowed 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.427 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -1.021 0 CA-C-N 116.808 -0.178 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 CA--C 1.499 -1.002 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 10.1 m-90 -84.24 113.8 21.37 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 123.683 0.615 . . . . 0.0 109.588 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.0 m -117.69 128.75 55.22 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -103.19 155.98 18.04 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.048 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -97.13 126.08 42.06 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 48.0 t -108.95 120.31 60.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 176.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.9 m -109.83 116.9 32.5 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -140.07 114.75 9.43 Favored 'General case' 0 N--CA 1.419 -2.002 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -176.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 56.7 29.21 15.41 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 125.944 1.698 . . . . 0.0 113.305 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.36 -10.49 63.28 Favored Glycine 0 C--N 1.308 -0.986 0 N-CA-C 111.636 -0.585 . . . . 0.0 111.636 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.5 mm -96.67 106.1 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.718 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 72.1 m -105.93 132.75 51.66 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 177.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -146.88 166.03 27.97 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.127 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -104.92 137.0 43.36 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -118.71 140.0 50.65 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 174.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.1 m -116.91 138.99 51.16 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -77.98 99.22 5.97 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.554 -178.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.475 0 CA-C-N 116.386 -0.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.9 pttp . . . . . 0 CA--C 1.508 -0.657 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -92.91 138.63 31.32 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-O 121.08 0.467 . . . . 0.0 109.893 178.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.1 m -136.98 131.81 33.45 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 107.402 -1.332 . . . . 0.0 107.402 178.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -108.83 145.53 35.11 Favored 'General case' 0 C--N 1.285 -2.219 0 CA-C-O 120.962 0.41 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -88.83 112.16 22.91 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.807 -177.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 54.5 t -108.89 125.38 65.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 177.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.4 m -109.33 109.66 20.61 Favored 'General case' 0 C--N 1.286 -2.177 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -114.91 109.82 18.71 Favored 'General case' 0 N--CA 1.426 -1.631 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -176.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 62.79 24.03 14.32 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.27 1.028 . . . . 0.0 111.171 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.83 -15.78 58.01 Favored Glycine 0 N--CA 1.44 -1.057 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.399 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.2 mm -83.76 109.81 17.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 75.8 m -99.38 125.18 45.02 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -132.44 160.08 37.45 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.026 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -103.47 116.77 33.02 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -102.68 122.8 45.17 Favored 'General case' 0 C--N 1.283 -2.304 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.7 m -111.8 175.07 5.58 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 120.787 0.327 . . . . 0.0 110.434 -174.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -109.54 80.98 1.37 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 171.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 CA-C-N 116.434 -0.348 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt . . . . . 0 CA--C 1.504 -0.796 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 27.2 m-90 -96.9 124.57 40.92 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 176.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 17.6 m -125.41 129.82 50.63 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.587 -176.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.46 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 28.4 p90 -90.47 147.4 23.42 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.281 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -102.56 105.94 16.54 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.222 -173.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.582 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 57.6 t -94.2 127.76 45.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 93.9 m -109.74 108.87 19.39 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -125.98 106.1 9.38 Favored 'General case' 0 N--CA 1.425 -1.71 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.378 -174.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 65.3 34.25 8.47 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 121.621 0.724 . . . . 0.0 110.105 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.19 -10.04 67.65 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.084 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.6 mm -86.51 104.42 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.582 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 78.0 m -99.79 123.08 43.68 Favored 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -135.04 155.75 50.22 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.46 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 28.3 ptt180 -107.51 110.46 22.4 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.778 0.799 . . . . 0.0 111.382 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -94.88 133.01 39.08 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.1 m -98.93 129.32 45.25 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-O 121.525 0.679 . . . . 0.0 112.638 -171.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -140.42 -79.32 0.29 Allowed 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.546 -178.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -1.007 0 O-C-N 122.315 -0.24 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 86.9 tttt . . . . . 0 CA--C 1.538 0.5 0 CA-C-O 120.444 0.164 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -82.0 129.28 34.74 Favored 'General case' 0 C--O 1.242 0.706 0 O-C-N 121.75 -0.594 . . . . 0.0 111.027 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.1 m -138.43 149.02 45.07 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.121 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -135.52 159.15 42.49 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.627 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -103.09 127.14 50.47 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -177.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.6 t -115.38 133.62 61.1 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 177.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 73.7 m -109.09 109.06 19.97 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -114.43 99.81 7.85 Favored 'General case' 0 N--CA 1.411 -2.411 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.638 -175.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? 68.88 30.36 4.69 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.226 1.01 . . . . 0.0 110.761 177.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.05 -21.67 43.62 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.012 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.7 mm -84.32 108.2 16.3 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 84.6 m -99.06 116.29 30.94 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -126.69 160.56 30.42 Favored 'General case' 0 N--CA 1.427 -1.617 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.127 -177.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -102.61 129.61 49.24 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.5 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -108.07 129.48 55.14 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 97.7 m -105.87 122.59 46.42 Favored 'General case' 0 C--N 1.287 -2.146 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 176.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -89.6 94.2 9.77 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.259 -174.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.195 0 CA-C-N 116.202 -0.454 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp . . . . . 0 CA--C 1.502 -0.899 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -73.61 114.17 11.55 Favored 'General case' 0 N--CA 1.434 -1.233 0 CA-C-O 121.42 0.628 . . . . 0.0 110.235 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.1 m -132.09 128.63 38.6 Favored 'General case' 0 N--CA 1.423 -1.785 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 177.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -115.64 149.42 38.35 Favored 'General case' 0 C--N 1.284 -2.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.392 -176.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -79.43 117.86 20.79 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.374 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.469 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 53.5 t -108.46 122.17 62.58 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.9 m -109.23 109.17 20.04 Favored 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 174.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -114.09 97.75 6.55 Favored 'General case' 0 N--CA 1.411 -2.422 0 CA-C-N 114.801 -1.09 . . . . 0.0 108.591 -175.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 60.24 34.76 20.94 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 123.972 0.909 . . . . 0.0 110.932 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.98 -20.25 48.57 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.605 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.7 mm -82.62 99.86 5.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 74.0 m -99.76 123.95 44.53 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 121.021 0.439 . . . . 0.0 111.033 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -142.65 169.2 18.02 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.214 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.85 111.82 24.51 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -97.92 119.8 37.19 Favored 'General case' 0 C--N 1.282 -2.328 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -178.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.1 m -102.98 146.41 28.39 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -80.36 90.79 5.61 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.054 0 CA-C-N 116.382 -0.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt . . . . . 0 CA--C 1.516 -0.362 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.9 m-90 -77.55 140.12 39.67 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.097 0.475 . . . . 0.0 111.93 -175.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.7 m -133.92 147.15 51.06 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 174.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -124.43 156.63 36.84 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-O 120.612 0.244 . . . . 0.0 110.679 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -98.02 118.96 35.79 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 54.4 t -100.35 122.82 52.75 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.7 m -108.88 109.91 21.12 Favored 'General case' 0 C--N 1.279 -2.46 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 176.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -121.1 105.72 10.87 Favored 'General case' 0 N--CA 1.418 -2.064 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -175.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 63.56 33.73 13.13 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.698 0.799 . . . . 0.0 110.828 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.82 -21.73 43.22 Favored Glycine 0 C--O 1.242 0.647 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.293 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.6 mm -86.52 110.04 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.263 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 85.8 m -101.11 124.88 47.51 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.723 -178.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -132.23 158.28 42.19 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.164 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -89.73 135.27 33.72 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -126.15 126.82 44.76 Favored 'General case' 0 C--N 1.283 -2.31 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 175.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.8 m -113.94 131.2 56.4 Favored 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 71.05 84.2 0.14 Allowed 'General case' 0 C--O 1.236 0.388 0 O-C-N 124.346 1.029 . . . . 0.0 110.218 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.073 0 CA-C-N 116.176 -0.466 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt . . . . . 0 CA--C 1.498 -1.027 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -110.13 147.46 33.62 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.316 0.579 . . . . 0.0 112.12 -178.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 71.3 m -129.86 129.28 43.75 Favored 'General case' 0 C--N 1.289 -2.034 0 N-CA-C 106.865 -1.532 . . . . 0.0 106.865 172.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -123.49 145.47 48.82 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.787 -174.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -88.39 119.52 28.89 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 123.595 0.559 . . . . 0.0 110.516 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.6 t -108.22 127.99 64.05 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.04 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 177.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 71.6 m -109.82 119.43 39.33 Favored 'General case' 0 C--N 1.28 -2.453 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 176.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -122.72 100.26 6.82 Favored 'General case' 0 N--CA 1.415 -2.217 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -178.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 66.06 34.25 7.04 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.55 1.14 . . . . 0.0 111.075 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.35 -24.82 30.64 Favored Glycine 0 C--N 1.309 -0.933 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.012 178.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.3 mm -82.33 108.44 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 73.2 m -99.67 131.78 45.44 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.78 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -143.59 166.24 25.39 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -115.68 145.03 43.11 Favored 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.77 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 52.9 mttm -119.53 141.7 48.99 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.72 176.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.4 m -126.46 119.88 28.34 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 175.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -85.01 81.07 9.06 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.173 -177.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.233 0 CA-C-N 116.371 -0.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? . . . . . 0 C--O 1.24 0.563 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -94.68 141.3 28.78 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.047 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.6 m -134.92 130.1 35.33 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -105.82 147.29 28.84 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.002 0.43 . . . . 0.0 111.129 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -87.35 118.78 27.02 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-O 121.176 0.512 . . . . 0.0 110.723 -177.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 42.7 t -109.26 125.32 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.109 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.2 m -109.58 109.7 20.55 Favored 'General case' 0 C--N 1.284 -2.258 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 175.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -115.29 103.44 10.82 Favored 'General case' 0 N--CA 1.425 -1.684 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.876 -174.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 61.92 28.15 17.14 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.19 0.996 . . . . 0.0 111.596 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.55 -8.37 58.38 Favored Glycine 0 C--O 1.239 0.447 0 C-N-CA 121.332 -0.461 . . . . 0.0 112.767 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.5 mm -97.97 111.12 27.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 78.5 m -102.13 124.55 47.93 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 120.873 0.368 . . . . 0.0 111.282 -177.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -132.37 164.85 25.57 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -111.57 111.1 21.87 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 177.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -90.9 121.87 33.11 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -176.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.2 m -98.7 128.82 45.09 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.138 -178.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -93.12 103.65 15.92 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.283 0.563 . . . . 0.0 112.124 -176.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.177 0 CA-C-N 116.165 -0.47 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 87.0 mttt . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -84.6 109.92 18.33 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-O 121.714 0.769 . . . . 0.0 112.713 -171.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 76.6 m -119.02 128.78 54.69 Favored 'General case' 0 N--CA 1.423 -1.79 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 176.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -110.58 154.83 23.2 Favored 'General case' 0 C--N 1.287 -2.149 0 CA-C-O 121.294 0.569 . . . . 0.0 112.005 -175.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -89.75 119.14 29.89 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.575 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 49.0 t -110.36 125.68 67.62 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 176.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.3 m -108.56 108.97 20.08 Favored 'General case' 0 C--N 1.286 -2.164 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 176.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -116.25 106.21 13.42 Favored 'General case' 0 N--CA 1.418 -2.039 0 CA-C-N 114.583 -1.19 . . . . 0.0 108.194 -175.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 63.78 29.12 14.85 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.674 0.79 . . . . 0.0 112.186 176.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.42 -14.55 59.38 Favored Glycine 0 N--CA 1.444 -0.777 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.377 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.3 mm -95.08 113.08 28.72 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 80.2 m -99.51 116.82 32.54 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.182 0.515 . . . . 0.0 109.969 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -124.16 170.61 10.55 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.208 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -104.94 126.44 52.02 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -122.19 126.43 48.24 Favored 'General case' 0 C--N 1.288 -2.069 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 177.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 68.5 m -100.08 126.97 46.37 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -174.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 176.19 90.74 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.25 0 C-N-CA 125.529 1.531 . . . . 0.0 108.496 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.298 0 CA-C-N 116.515 -0.311 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt . . . . . 0 C--O 1.223 -0.316 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 -91.55 116.73 29.11 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 122.099 0.159 . . . . 0.0 111.183 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 69.8 m -130.93 151.92 50.81 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -139.55 155.99 47.16 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 120.738 0.304 . . . . 0.0 111.284 175.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -91.77 130.42 37.55 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.326 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.0 t -123.73 127.43 73.87 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 174.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.3 m -109.38 116.48 31.93 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 176.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -124.29 103.11 8.04 Favored 'General case' 0 N--CA 1.422 -1.87 0 CA-C-N 115.005 -0.998 . . . . 0.0 108.567 -176.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 67.04 25.35 9.24 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.167 0.987 . . . . 0.0 110.984 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.93 -10.3 62.08 Favored Glycine 0 C--N 1.311 -0.847 0 C-N-CA 121.07 -0.586 . . . . 0.0 111.666 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.8 mm -88.32 104.35 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.5 m -99.35 112.62 24.77 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.515 0.674 . . . . 0.0 110.003 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -126.58 167.45 15.64 Favored 'General case' 0 C--N 1.287 -2.152 0 CA-C-N 115.105 -0.952 . . . . 0.0 108.869 -177.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -111.39 142.47 43.6 Favored 'General case' 0 C--N 1.288 -2.102 0 CA-C-O 121.224 0.535 . . . . 0.0 110.538 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -114.74 117.42 30.74 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 174.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.7 m -99.88 134.8 42.25 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.085 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 44.4 mtt-85 -85.15 -82.46 0.18 Allowed 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.297 -176.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.467 0 O-C-N 122.225 -0.297 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 61.5 pttt . . . . . 0 N--CA 1.47 0.571 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 6.1 p90 -92.12 150.98 20.64 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.622 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.0 m -129.38 146.0 51.31 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -134.62 156.83 48.04 Favored 'General case' 0 C--N 1.29 -2.016 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -109.19 120.29 42.07 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 120.884 0.373 . . . . 0.0 110.01 -176.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 59.9 t -104.76 134.72 45.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -178.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 75.7 m -108.97 108.3 18.98 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 175.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -119.21 109.99 16.5 Favored 'General case' 0 N--CA 1.418 -2.043 0 CA-C-N 114.654 -1.157 . . . . 0.0 108.028 -173.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.5 mtm180 63.16 31.76 15.51 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.812 0.845 . . . . 0.0 110.842 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.46 -23.52 33.39 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.091 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.7 mm -84.71 114.61 25.27 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 67.7 m -99.45 124.56 44.71 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -134.83 151.67 51.12 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.364 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -95.82 128.38 42.66 Favored 'General case' 0 C--N 1.288 -2.094 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.786 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -99.18 127.23 45.12 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 175.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.2 m -136.87 138.56 40.86 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 177.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -160.93 91.1 0.87 Allowed 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.603 0 CA-C-N 116.055 -0.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 67.9 mttm . . . . . 0 C--O 1.239 0.502 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 17.9 p-90 -70.64 145.63 50.53 Favored 'General case' 0 C--O 1.254 1.325 0 CA-C-O 121.706 0.765 . . . . 0.0 112.804 -178.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.8 m -126.31 151.55 47.38 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.616 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -134.01 160.46 37.68 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -112.45 126.13 54.97 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 120.741 0.305 . . . . 0.0 110.31 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 61.9 t -108.76 131.79 58.47 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.0 m -109.83 109.13 19.69 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 174.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -117.13 101.58 8.59 Favored 'General case' 0 N--CA 1.414 -2.247 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.031 -175.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 64.58 28.44 13.29 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.21 1.004 . . . . 0.0 110.72 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.67 -12.74 59.57 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.159 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.6 mm -87.15 103.69 13.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 71.7 m -99.85 116.79 32.74 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -130.07 160.23 34.34 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.858 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -99.04 133.55 43.15 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -128.78 123.82 33.89 Favored 'General case' 0 C--N 1.285 -2.22 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.0 m -103.87 141.69 35.7 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.271 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -116.15 -87.35 0.6 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.033 175.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.101 0 CA-C-N 116.197 -0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.42 ' HE2' ' SG ' ' A' ' 3' ' ' CYS . 26.2 pttm . . . . . 0 CA--C 1.513 -0.451 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 33.6 t90 -108.32 117.49 34.3 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 121.266 0.555 . . . . 0.0 110.189 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.42 ' SG ' ' HE2' ' A' ' 1' ' ' LYS . 84.8 m -120.27 129.75 54.18 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 115.113 -0.948 . . . . 0.0 109.732 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -119.22 159.49 23.95 Favored 'General case' 0 C--N 1.285 -2.196 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -105.35 129.83 53.6 Favored 'General case' 0 C--N 1.287 -2.11 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.516 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 59.6 t -107.27 125.44 63.48 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.429 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.4 m -108.95 109.1 20.08 Favored 'General case' 0 C--N 1.279 -2.466 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 171.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -115.58 101.05 8.51 Favored 'General case' 0 N--CA 1.411 -2.376 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 -175.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 65.06 26.33 12.57 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.482 0.713 . . . . 0.0 111.228 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.29 -13.01 60.22 Favored Glycine 0 N--CA 1.439 -1.125 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.732 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.1 mm -86.94 102.74 12.5 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 178.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.516 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 80.8 m -99.25 116.62 31.87 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 120.97 0.414 . . . . 0.0 110.908 -178.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -132.67 161.16 34.68 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.674 -179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -94.52 122.95 37.63 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -118.33 121.56 40.69 Favored 'General case' 0 C--N 1.287 -2.137 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.8 m -104.85 132.74 50.72 Favored 'General case' 0 C--N 1.291 -1.938 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -140.08 -83.91 0.24 Allowed 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -177.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.901 0 O-C-N 122.129 -0.357 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp . . . . . 0 N--CA 1.448 -0.566 0 CA-C-O 120.416 0.15 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 13.1 m-90 -111.03 143.3 41.95 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-O 121.124 0.488 . . . . 0.0 111.852 -178.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.7 m -109.44 132.97 53.63 Favored 'General case' 0 C--N 1.293 -1.878 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.956 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -114.14 151.44 32.65 Favored 'General case' 0 C--N 1.291 -1.939 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.858 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -105.7 122.76 46.73 Favored 'General case' 0 N--CA 1.421 -1.922 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 58.3 t -100.15 129.47 50.81 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.997 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 179.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 88.1 m -108.81 109.8 21.01 Favored 'General case' 0 C--N 1.284 -2.241 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 177.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -129.16 124.79 35.56 Favored 'General case' 0 N--CA 1.418 -2.046 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 -177.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 53.51 27.89 7.08 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 125.355 1.462 . . . . 0.0 113.731 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.68 -11.93 64.58 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.775 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.4 mm -97.1 109.58 23.45 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.286 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 78.7 m -99.71 118.74 36.86 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.282 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -128.1 168.11 15.82 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.093 -177.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -110.9 130.32 55.62 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -175.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -115.16 140.52 49.01 Favored 'General case' 0 C--O 1.244 0.771 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 174.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.7 m -135.43 143.31 45.87 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 120.805 0.336 . . . . 0.0 111.299 -175.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -126.7 92.93 3.65 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.783 177.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 CA-C-N 116.468 -0.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.0 pttp . . . . . 0 C--O 1.24 0.57 0 CA-C-O 120.869 0.366 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -107.61 109.31 20.91 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-O 121.572 0.701 . . . . 0.0 109.384 177.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.5 m -133.86 142.64 47.89 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-N 114.845 -1.071 . . . . 0.0 108.24 -176.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -115.27 145.7 42.2 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 177.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -89.63 122.6 32.91 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -176.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.525 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 47.1 t -113.16 132.06 63.07 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.038 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.9 m -110.02 109.9 20.64 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -123.84 120.56 32.96 Favored 'General case' 0 N--CA 1.423 -1.814 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 55.27 24.87 6.81 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 125.715 1.606 . . . . 0.0 113.429 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.46 -3.41 59.53 Favored Glycine 0 C--N 1.313 -0.714 0 N-CA-C 111.899 -0.481 . . . . 0.0 111.899 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.5 mm -103.6 108.35 24.31 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 68.4 m -99.85 127.09 46.04 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -133.6 164.53 26.97 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.117 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -101.53 104.3 15.2 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 177.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -86.64 115.23 23.96 Favored 'General case' 0 N--CA 1.422 -1.832 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.0 m -99.51 149.47 23.2 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.459 -176.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -96.09 -79.72 0.44 Allowed 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.893 -178.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -1.011 0 O-C-N 122.15 -0.344 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? . . . . . 0 C--O 1.236 0.347 0 CA-C-O 121.777 0.798 . . . . 0.0 111.908 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -104.18 140.99 37.03 Favored 'General case' 0 C--O 1.25 1.08 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.203 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.4 m -117.85 129.97 55.98 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.807 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -128.08 151.51 49.1 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.889 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -84.76 131.04 34.6 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 120.829 0.347 . . . . 0.0 110.114 178.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.5 t -119.49 129.29 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.67 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 177.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.2 m -108.72 109.46 20.63 Favored 'General case' 0 C--N 1.277 -2.554 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 174.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -110.12 101.79 10.55 Favored 'General case' 0 N--CA 1.412 -2.363 0 CA-C-N 114.376 -1.283 . . . . 0.0 108.205 -175.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 63.33 31.0 15.53 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 124.1 0.96 . . . . 0.0 111.397 177.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.44 -9.91 59.27 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.813 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.2 mm -96.42 112.13 27.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.9 m -100.03 124.66 45.64 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.207 0.527 . . . . 0.0 111.317 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -143.98 167.12 23.12 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.836 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -90.77 136.55 33.0 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 174.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -125.36 123.05 38.52 Favored 'General case' 0 C--N 1.273 -2.755 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 176.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.6 m -106.37 138.8 41.9 Favored 'General case' 0 C--N 1.287 -2.114 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -178.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 69.93 -89.69 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.852 0.861 . . . . 0.0 111.587 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.098 0 O-C-N 121.969 -0.457 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.6 p90 . . . . . 0 N--CA 1.441 -0.877 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -103.55 129.72 50.82 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 48.7 t -116.47 126.59 74.01 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 86.7 m -109.38 109.22 20.03 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 174.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -126.8 109.73 12.32 Favored 'General case' 0 N--CA 1.425 -1.709 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.283 -173.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 65.13 24.88 12.44 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.729 0.812 . . . . 0.0 111.574 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.23 -10.13 59.74 Favored Glycine 0 C--N 1.307 -1.076 0 N-CA-C 111.688 -0.565 . . . . 0.0 111.688 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.2 mm -96.77 108.58 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.236 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 80.7 m -99.25 122.41 42.38 Favored 'General case' 0 C--N 1.294 -1.848 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 176.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -136.1 153.31 51.35 Favored 'General case' 0 C--N 1.285 -2.2 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.647 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -89.61 135.16 33.77 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.9 tttt . . . . . 0 C--N 1.286 -2.154 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.125 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.3 p90 . . . . . 0 N--CA 1.421 -1.877 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -107.73 128.64 54.75 Favored 'General case' 0 C--N 1.288 -2.088 0 CA-C-O 121.099 0.476 . . . . 0.0 110.405 -177.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 85.7 t -112.18 135.8 50.37 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 79.6 m -108.32 114.44 28.31 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 175.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -125.82 105.6 9.07 Favored 'General case' 0 N--CA 1.409 -2.475 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.702 -175.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 61.36 32.97 19.05 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 124.046 0.939 . . . . 0.0 111.684 177.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.17 -15.9 58.69 Favored Glycine 0 N--CA 1.442 -0.928 0 CA-C-N 115.329 -0.851 . . . . 0.0 112.251 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.2 mm -92.2 109.64 21.7 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 84.5 m -99.76 110.0 22.41 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 177.401 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -123.33 156.57 35.08 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.159 -174.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -99.2 123.78 43.75 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.93 -176.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt . . . . . 0 C--N 1.303 -1.414 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 175.027 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 22.4 p90 . . . . . 0 N--CA 1.439 -0.98 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -93.32 123.56 36.7 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.914 -176.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.4 t -117.08 132.03 68.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 98.9 m -109.53 108.77 19.36 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 175.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -118.14 110.76 18.0 Favored 'General case' 0 N--CA 1.416 -2.171 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.75 -174.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 64.94 23.22 12.57 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.43 1.092 . . . . 0.0 111.111 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.2 -14.85 59.56 Favored Glycine 0 N--CA 1.436 -1.322 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.589 -178.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.1 mm -87.93 110.77 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.954 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.1 m -99.17 124.39 44.19 Favored 'General case' 0 C--N 1.285 -2.212 0 CA-C-O 121.473 0.654 . . . . 0.0 109.659 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -137.43 166.56 23.54 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.09 -178.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 87.2 mtm180 -120.17 119.94 34.73 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.127 -178.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 95.3 mttt . . . . . 0 C--N 1.306 -1.292 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 175.165 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.0 p90 . . . . . 0 N--CA 1.43 -1.46 0 CA-C-O 120.842 0.353 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -91.93 128.23 37.69 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.432 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.479 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 56.2 t -119.94 127.22 75.88 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 178.19 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.7 m -109.47 108.76 19.38 Favored 'General case' 0 C--N 1.284 -2.274 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 175.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -110.45 109.87 20.41 Favored 'General case' 0 N--CA 1.414 -2.231 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 -176.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 65.62 20.44 11.59 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 123.724 0.64 . . . . 0.0 111.679 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.14 -8.91 67.58 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.993 -0.622 . . . . 0.0 111.587 -177.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.4 mm -87.57 108.32 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.1 m -99.97 130.29 46.13 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-O 121.546 0.688 . . . . 0.0 111.919 -175.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.479 ' CE1' ' HB ' ' A' ' 6' ' ' VAL . 24.3 p90 -142.13 168.44 19.74 Favored 'General case' 0 C--N 1.292 -1.908 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.234 178.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -116.12 133.97 55.44 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 120.548 -0.461 . . . . 0.0 109.844 177.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.6 mttm . . . . . 0 C--N 1.294 -1.819 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.886 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.6 p90 . . . . . 0 CA--C 1.508 -0.662 0 CA-C-O 120.388 0.137 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -97.13 126.08 42.06 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 48.0 t -108.95 120.31 60.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 176.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.9 m -109.83 116.9 32.5 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -140.07 114.75 9.43 Favored 'General case' 0 N--CA 1.419 -2.002 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -176.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 56.7 29.21 15.41 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 125.944 1.698 . . . . 0.0 113.305 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.36 -10.49 63.28 Favored Glycine 0 C--N 1.308 -0.986 0 N-CA-C 111.636 -0.585 . . . . 0.0 111.636 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.5 mm -96.67 106.1 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.718 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 72.1 m -105.93 132.75 51.66 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 177.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -146.88 166.03 27.97 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.127 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -104.92 137.0 43.36 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt . . . . . 0 C--N 1.305 -1.339 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 174.241 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.8 p90 . . . . . 0 N--CA 1.431 -1.403 0 CA-C-O 120.962 0.41 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -88.83 112.16 22.91 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.807 -177.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 54.5 t -108.89 125.38 65.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 177.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 72.4 m -109.33 109.66 20.61 Favored 'General case' 0 C--N 1.286 -2.177 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 176.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -114.91 109.82 18.71 Favored 'General case' 0 N--CA 1.426 -1.631 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -176.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 62.79 24.03 14.32 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.27 1.028 . . . . 0.0 111.171 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.83 -15.78 58.01 Favored Glycine 0 N--CA 1.44 -1.057 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.399 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.2 mm -83.76 109.81 17.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 75.8 m -99.38 125.18 45.02 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -132.44 160.08 37.45 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.026 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -103.47 116.77 33.02 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.7 tttm . . . . . 0 C--N 1.283 -2.304 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 179.153 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.478 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 28.4 p90 . . . . . 0 N--CA 1.438 -1.063 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -102.56 105.94 16.54 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.222 -173.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.587 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 57.6 t -94.2 127.76 45.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 93.9 m -109.74 108.87 19.39 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -125.98 106.1 9.38 Favored 'General case' 0 N--CA 1.425 -1.71 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.378 -174.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 65.3 34.25 8.47 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 121.621 0.724 . . . . 0.0 110.105 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.19 -10.04 67.65 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.084 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.6 mm -86.51 104.42 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.587 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 78.0 m -99.79 123.08 43.68 Favored 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -135.04 155.75 50.22 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 28.3 ptt180 -107.51 110.46 22.4 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.778 0.799 . . . . 0.0 111.382 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt . . . . . 0 C--N 1.298 -1.663 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 -179.391 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.6 p90 . . . . . 0 N--CA 1.442 -0.84 0 CA-C-O 120.417 0.151 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -103.09 127.14 50.47 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -177.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.6 t -115.38 133.62 61.1 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 177.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 73.7 m -109.09 109.06 19.97 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.491 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -114.43 99.81 7.85 Favored 'General case' 0 N--CA 1.411 -2.411 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.638 -175.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? 68.88 30.36 4.69 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.226 1.01 . . . . 0.0 110.761 177.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.05 -21.67 43.62 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.012 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.7 mm -84.32 108.2 16.3 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 84.6 m -99.06 116.29 30.94 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -126.69 160.56 30.42 Favored 'General case' 0 N--CA 1.427 -1.617 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.127 -177.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -102.61 129.61 49.24 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.5 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp . . . . . 0 C--N 1.299 -1.593 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 175.796 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.7 p90 . . . . . 0 N--CA 1.43 -1.449 0 CA-C-O 120.89 0.376 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -79.43 117.86 20.79 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.374 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 53.5 t -108.46 122.17 62.58 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.9 m -109.23 109.17 20.04 Favored 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 174.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -114.09 97.75 6.55 Favored 'General case' 0 N--CA 1.411 -2.422 0 CA-C-N 114.801 -1.09 . . . . 0.0 108.591 -175.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 60.24 34.76 20.94 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 123.972 0.909 . . . . 0.0 110.932 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.98 -20.25 48.57 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.605 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.7 mm -82.62 99.86 5.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 74.0 m -99.76 123.95 44.53 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 121.021 0.439 . . . . 0.0 111.033 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -142.65 169.2 18.02 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.214 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.85 111.82 24.51 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.068 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--N 1.282 -2.328 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -178.214 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.5 p90 . . . . . 0 N--CA 1.435 -1.21 0 CA-C-O 120.612 0.244 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -98.02 118.96 35.79 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.475 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 54.4 t -100.35 122.82 52.75 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.7 m -108.88 109.91 21.12 Favored 'General case' 0 C--N 1.279 -2.46 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 176.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -121.1 105.72 10.87 Favored 'General case' 0 N--CA 1.418 -2.064 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -175.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 63.56 33.73 13.13 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.698 0.799 . . . . 0.0 110.828 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.82 -21.73 43.22 Favored Glycine 0 C--O 1.242 0.647 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.293 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.6 mm -86.52 110.04 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.263 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 85.8 m -101.11 124.88 47.51 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.723 -178.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -132.23 158.28 42.19 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.164 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -89.73 135.27 33.72 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.3 tttt . . . . . 0 C--N 1.283 -2.31 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 175.764 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.1 p90 . . . . . 0 CA--C 1.503 -0.829 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -88.39 119.52 28.89 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 123.595 0.559 . . . . 0.0 110.516 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.6 t -108.22 127.99 64.05 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.04 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 177.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 71.6 m -109.82 119.43 39.33 Favored 'General case' 0 C--N 1.28 -2.453 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 176.345 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -122.72 100.26 6.82 Favored 'General case' 0 N--CA 1.415 -2.217 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -178.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 66.06 34.25 7.04 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.55 1.14 . . . . 0.0 111.075 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.35 -24.82 30.64 Favored Glycine 0 C--N 1.309 -0.933 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.012 178.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.3 mm -82.33 108.44 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 73.2 m -99.67 131.78 45.44 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.78 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -143.59 166.24 25.39 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -115.68 145.03 43.11 Favored 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.77 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.9 mttm . . . . . 0 C--N 1.302 -1.459 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.72 176.749 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.5 p90 . . . . . 0 N--CA 1.439 -0.98 0 CA-C-O 121.002 0.43 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -87.35 118.78 27.02 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-O 121.176 0.512 . . . . 0.0 110.723 -177.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 42.7 t -109.26 125.32 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.109 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.2 m -109.58 109.7 20.55 Favored 'General case' 0 C--N 1.284 -2.258 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 175.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -115.29 103.44 10.82 Favored 'General case' 0 N--CA 1.425 -1.684 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.876 -174.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 61.92 28.15 17.14 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.19 0.996 . . . . 0.0 111.596 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.55 -8.37 58.38 Favored Glycine 0 C--O 1.239 0.447 0 C-N-CA 121.332 -0.461 . . . . 0.0 112.767 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.5 mm -97.97 111.12 27.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 78.5 m -102.13 124.55 47.93 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 120.873 0.368 . . . . 0.0 111.282 -177.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -132.37 164.85 25.57 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -111.57 111.1 21.87 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 177.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--N 1.29 -2.013 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -176.974 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.9 p90 . . . . . 0 N--CA 1.425 -1.694 0 CA-C-O 121.294 0.569 . . . . 0.0 112.005 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -89.75 119.14 29.89 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.575 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 49.0 t -110.36 125.68 67.62 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 176.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 72.3 m -108.56 108.97 20.08 Favored 'General case' 0 C--N 1.286 -2.164 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 176.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -116.25 106.21 13.42 Favored 'General case' 0 N--CA 1.418 -2.039 0 CA-C-N 114.583 -1.19 . . . . 0.0 108.194 -175.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 63.78 29.12 14.85 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.674 0.79 . . . . 0.0 112.186 176.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.42 -14.55 59.38 Favored Glycine 0 N--CA 1.444 -0.777 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.377 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.3 mm -95.08 113.08 28.72 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 80.2 m -99.51 116.82 32.54 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.182 0.515 . . . . 0.0 109.969 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -124.16 170.61 10.55 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.208 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -104.94 126.44 52.02 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.0 tttt . . . . . 0 C--N 1.288 -2.069 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 177.649 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.1 p90 . . . . . 0 N--CA 1.441 -0.883 0 CA-C-O 120.738 0.304 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -91.77 130.42 37.55 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.326 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.0 t -123.73 127.43 73.87 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 174.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.3 m -109.38 116.48 31.93 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 176.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -124.29 103.11 8.04 Favored 'General case' 0 N--CA 1.422 -1.87 0 CA-C-N 115.005 -0.998 . . . . 0.0 108.567 -176.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 67.04 25.35 9.24 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.167 0.987 . . . . 0.0 110.984 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.93 -10.3 62.08 Favored Glycine 0 C--N 1.311 -0.847 0 C-N-CA 121.07 -0.586 . . . . 0.0 111.666 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.8 mm -88.32 104.35 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.5 m -99.35 112.62 24.77 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.515 0.674 . . . . 0.0 110.003 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -126.58 167.45 15.64 Favored 'General case' 0 C--N 1.287 -2.152 0 CA-C-N 115.105 -0.952 . . . . 0.0 108.869 -177.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -111.39 142.47 43.6 Favored 'General case' 0 C--N 1.288 -2.102 0 CA-C-O 121.224 0.535 . . . . 0.0 110.538 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp . . . . . 0 C--N 1.294 -1.808 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 174.637 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.3 p90 . . . . . 0 N--CA 1.433 -1.284 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -109.19 120.29 42.07 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 120.884 0.373 . . . . 0.0 110.01 -176.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 59.9 t -104.76 134.72 45.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -178.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 75.7 m -108.97 108.3 18.98 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 175.506 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -119.21 109.99 16.5 Favored 'General case' 0 N--CA 1.418 -2.043 0 CA-C-N 114.654 -1.157 . . . . 0.0 108.028 -173.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.5 mtm180 63.16 31.76 15.51 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.812 0.845 . . . . 0.0 110.842 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.46 -23.52 33.39 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.091 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.7 mm -84.71 114.61 25.27 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 67.7 m -99.45 124.56 44.71 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -134.83 151.67 51.12 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.364 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -95.82 128.38 42.66 Favored 'General case' 0 C--N 1.288 -2.094 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.786 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.8 mttt . . . . . 0 C--N 1.309 -1.185 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 175.964 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.0 p90 . . . . . 0 N--CA 1.44 -0.966 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -112.45 126.13 54.97 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 120.741 0.305 . . . . 0.0 110.31 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 61.9 t -108.76 131.79 58.47 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.439 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.0 m -109.83 109.13 19.69 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 174.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -117.13 101.58 8.59 Favored 'General case' 0 N--CA 1.414 -2.247 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.031 -175.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 64.58 28.44 13.29 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.21 1.004 . . . . 0.0 110.72 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.67 -12.74 59.57 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.159 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.6 mm -87.15 103.69 13.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 71.7 m -99.85 116.79 32.74 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -130.07 160.23 34.34 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.858 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -99.04 133.55 43.15 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--N 1.285 -2.22 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.149 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.2 p90 . . . . . 0 N--CA 1.422 -1.851 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -105.35 129.83 53.6 Favored 'General case' 0 C--N 1.287 -2.11 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.525 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 59.6 t -107.27 125.44 63.48 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.429 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.4 m -108.95 109.1 20.08 Favored 'General case' 0 C--N 1.279 -2.466 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 171.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -115.58 101.05 8.51 Favored 'General case' 0 N--CA 1.411 -2.376 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 -175.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 65.06 26.33 12.57 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.482 0.713 . . . . 0.0 111.228 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.29 -13.01 60.22 Favored Glycine 0 N--CA 1.439 -1.125 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.732 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.1 mm -86.94 102.74 12.5 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 178.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 80.8 m -99.25 116.62 31.87 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 120.97 0.414 . . . . 0.0 110.908 -178.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -132.67 161.16 34.68 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.674 -179.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -94.52 122.95 37.63 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.1 tttt . . . . . 0 C--N 1.287 -2.137 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 179.095 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.3 p90 . . . . . 0 N--CA 1.426 -1.647 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -105.7 122.76 46.73 Favored 'General case' 0 N--CA 1.421 -1.922 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 58.3 t -100.15 129.47 50.81 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.997 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 179.403 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 88.1 m -108.81 109.8 21.01 Favored 'General case' 0 C--N 1.284 -2.241 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 177.295 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -129.16 124.79 35.56 Favored 'General case' 0 N--CA 1.418 -2.046 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 -177.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 53.51 27.89 7.08 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 125.355 1.462 . . . . 0.0 113.731 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.68 -11.93 64.58 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.775 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.4 mm -97.1 109.58 23.45 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.286 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 78.7 m -99.71 118.74 36.86 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.282 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -128.1 168.11 15.82 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.093 -177.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -110.9 130.32 55.62 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -175.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt . . . . . 0 C--O 1.244 0.771 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 174.202 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.6 p90 . . . . . 0 N--CA 1.435 -1.199 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -89.63 122.6 32.91 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -176.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 47.1 t -113.16 132.06 63.07 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.038 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.9 m -110.02 109.9 20.64 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -123.84 120.56 32.96 Favored 'General case' 0 N--CA 1.423 -1.814 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 55.27 24.87 6.81 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 125.715 1.606 . . . . 0.0 113.429 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.46 -3.41 59.53 Favored Glycine 0 C--N 1.313 -0.714 0 N-CA-C 111.899 -0.481 . . . . 0.0 111.899 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.5 mm -103.6 108.35 24.31 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 68.4 m -99.85 127.09 46.04 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.34 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -133.6 164.53 26.97 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.117 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -101.53 104.3 15.2 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 177.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.6 tttm . . . . . 0 N--CA 1.422 -1.832 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -179.264 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.3 p90 . . . . . 0 N--CA 1.433 -1.289 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -84.76 131.04 34.6 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 120.829 0.347 . . . . 0.0 110.114 178.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.5 t -119.49 129.29 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.67 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 177.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.2 m -108.72 109.46 20.63 Favored 'General case' 0 C--N 1.277 -2.554 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 174.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -110.12 101.79 10.55 Favored 'General case' 0 N--CA 1.412 -2.363 0 CA-C-N 114.376 -1.283 . . . . 0.0 108.205 -175.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 63.33 31.0 15.53 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 124.1 0.96 . . . . 0.0 111.397 177.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.44 -9.91 59.27 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.813 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.2 mm -96.42 112.13 27.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.9 m -100.03 124.66 45.64 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.207 0.527 . . . . 0.0 111.317 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -143.98 167.12 23.12 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.836 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -90.77 136.55 33.0 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 174.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.2 tttt . . . . . 0 C--N 1.273 -2.755 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 176.287 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm . . . . . 0 CA--C 1.504 -0.811 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 54.2 t90 -85.2 125.08 32.56 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.3 m -132.07 133.02 43.89 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -110.34 160.11 16.85 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -103.55 129.72 50.82 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 48.7 t -116.47 126.59 74.01 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 86.7 m -109.38 109.22 20.03 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 174.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -126.8 109.73 12.32 Favored 'General case' 0 N--CA 1.425 -1.709 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.283 -173.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 65.13 24.88 12.44 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.729 0.812 . . . . 0.0 111.574 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.23 -10.13 59.74 Favored Glycine 0 C--N 1.307 -1.076 0 N-CA-C 111.688 -0.565 . . . . 0.0 111.688 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.2 mm -96.77 108.58 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.236 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 80.7 m -99.25 122.41 42.38 Favored 'General case' 0 C--N 1.294 -1.848 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 176.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -136.1 153.31 51.35 Favored 'General case' 0 C--N 1.285 -2.2 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.647 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -89.61 135.16 33.77 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -121.45 117.36 26.68 Favored 'General case' 0 C--N 1.286 -2.154 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.7 m -100.75 148.01 25.39 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.664 -175.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -106.28 87.08 2.47 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 121.266 0.555 . . . . 0.0 109.792 174.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.659 0 CA-C-N 115.993 -0.548 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt . . . . . 0 CA--C 1.503 -0.83 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -82.61 113.54 20.38 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.3 m -126.53 156.18 41.2 Favored 'General case' 0 N--CA 1.417 -2.115 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.06 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -137.43 148.37 46.08 Favored 'General case' 0 N--CA 1.421 -1.877 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.657 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -107.73 128.64 54.75 Favored 'General case' 0 C--N 1.288 -2.088 0 CA-C-O 121.099 0.476 . . . . 0.0 110.405 -177.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 85.7 t -112.18 135.8 50.37 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 79.6 m -108.32 114.44 28.31 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 175.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -125.82 105.6 9.07 Favored 'General case' 0 N--CA 1.409 -2.475 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.702 -175.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 61.36 32.97 19.05 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 124.046 0.939 . . . . 0.0 111.684 177.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.17 -15.9 58.69 Favored Glycine 0 N--CA 1.442 -0.928 0 CA-C-N 115.329 -0.851 . . . . 0.0 112.251 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.2 mm -92.2 109.64 21.7 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 84.5 m -99.76 110.0 22.41 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 177.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -123.33 156.57 35.08 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.159 -174.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -99.2 123.78 43.75 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.93 -176.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -109.17 143.86 38.01 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 175.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.6 m -132.18 147.61 52.43 Favored 'General case' 0 C--N 1.297 -1.685 0 C-N-CA 120.394 -0.522 . . . . 0.0 111.126 -177.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -106.83 -80.43 0.56 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 174.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.108 0 O-C-N 122.287 -0.258 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 CA--C 1.505 -0.781 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -68.0 132.65 47.67 Favored 'General case' 0 C--O 1.249 1.031 0 O-C-N 123.651 0.594 . . . . 0.0 110.464 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.535 ' HB3' ' HB3' ' A' ' 14' ' ' ARG . 16.4 m -137.74 132.94 33.52 Favored 'General case' 0 N--CA 1.427 -1.605 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -179.323 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 22.4 p90 -100.47 143.11 31.04 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 175.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -93.32 123.56 36.7 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.914 -176.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.4 t -117.08 132.03 68.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 98.9 m -109.53 108.77 19.36 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 175.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -118.14 110.76 18.0 Favored 'General case' 0 N--CA 1.416 -2.171 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.75 -174.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 64.94 23.22 12.57 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.43 1.092 . . . . 0.0 111.111 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.2 -14.85 59.56 Favored Glycine 0 N--CA 1.436 -1.322 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.589 -178.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.1 mm -87.93 110.77 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.954 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.1 m -99.17 124.39 44.19 Favored 'General case' 0 C--N 1.285 -2.212 0 CA-C-O 121.473 0.654 . . . . 0.0 109.659 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -137.43 166.56 23.54 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.09 -178.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.535 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . 87.2 mtm180 -120.17 119.94 34.73 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.127 -178.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 95.3 mttt -87.06 115.05 24.18 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 175.165 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.9 m -99.9 131.88 45.59 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 121.254 0.55 . . . . 0.0 112.366 -175.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -132.78 86.18 2.29 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.112 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 CA-C-N 116.544 -0.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.1 mptt . . . . . 0 CA--C 1.512 -0.503 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 -81.9 117.15 21.92 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 120.956 0.408 . . . . 0.0 110.261 178.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.7 m -115.5 138.64 50.83 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.684 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -128.63 142.35 51.06 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -91.93 128.23 37.69 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.432 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.479 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 56.2 t -119.94 127.22 75.88 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 178.19 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.7 m -109.47 108.76 19.38 Favored 'General case' 0 C--N 1.284 -2.274 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 175.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -110.45 109.87 20.41 Favored 'General case' 0 N--CA 1.414 -2.231 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 -176.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 65.62 20.44 11.59 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 123.724 0.64 . . . . 0.0 111.679 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.14 -8.91 67.58 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.993 -0.622 . . . . 0.0 111.587 -177.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.4 mm -87.57 108.32 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.1 m -99.97 130.29 46.13 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-O 121.546 0.688 . . . . 0.0 111.919 -175.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.479 ' CE1' ' HB ' ' A' ' 6' ' ' VAL . 24.3 p90 -142.13 168.44 19.74 Favored 'General case' 0 C--N 1.292 -1.908 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.234 178.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -116.12 133.97 55.44 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 120.548 -0.461 . . . . 0.0 109.844 177.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -106.21 125.23 50.75 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.7 m -108.45 123.87 49.53 Favored 'General case' 0 C--N 1.286 -2.181 0 CA-C-O 121.092 0.472 . . . . 0.0 110.857 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -126.08 -85.5 0.62 Allowed 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.427 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -1.021 0 CA-C-N 116.808 -0.178 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 CA--C 1.499 -1.002 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 10.1 m-90 -84.24 113.8 21.37 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 123.683 0.615 . . . . 0.0 109.588 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.0 m -117.69 128.75 55.22 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -103.19 155.98 18.04 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.048 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -97.13 126.08 42.06 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 48.0 t -108.95 120.31 60.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 176.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.9 m -109.83 116.9 32.5 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -140.07 114.75 9.43 Favored 'General case' 0 N--CA 1.419 -2.002 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -176.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 56.7 29.21 15.41 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 125.944 1.698 . . . . 0.0 113.305 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.36 -10.49 63.28 Favored Glycine 0 C--N 1.308 -0.986 0 N-CA-C 111.636 -0.585 . . . . 0.0 111.636 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.5 mm -96.67 106.1 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.718 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 72.1 m -105.93 132.75 51.66 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 177.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -146.88 166.03 27.97 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.127 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -104.92 137.0 43.36 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -118.71 140.0 50.65 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 174.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.1 m -116.91 138.99 51.16 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -77.98 99.22 5.97 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.554 -178.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.475 0 CA-C-N 116.386 -0.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.9 pttp . . . . . 0 CA--C 1.508 -0.657 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -92.91 138.63 31.32 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-O 121.08 0.467 . . . . 0.0 109.893 178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.1 m -136.98 131.81 33.45 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 107.402 -1.332 . . . . 0.0 107.402 178.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -108.83 145.53 35.11 Favored 'General case' 0 C--N 1.285 -2.219 0 CA-C-O 120.962 0.41 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -88.83 112.16 22.91 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.807 -177.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 54.5 t -108.89 125.38 65.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 177.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 72.4 m -109.33 109.66 20.61 Favored 'General case' 0 C--N 1.286 -2.177 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 176.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -114.91 109.82 18.71 Favored 'General case' 0 N--CA 1.426 -1.631 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -176.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 62.79 24.03 14.32 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.27 1.028 . . . . 0.0 111.171 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.83 -15.78 58.01 Favored Glycine 0 N--CA 1.44 -1.057 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.399 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.2 mm -83.76 109.81 17.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 75.8 m -99.38 125.18 45.02 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -132.44 160.08 37.45 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.026 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -103.47 116.77 33.02 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -102.68 122.8 45.17 Favored 'General case' 0 C--N 1.283 -2.304 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.7 m -111.8 175.07 5.58 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 120.787 0.327 . . . . 0.0 110.434 -174.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -109.54 80.98 1.37 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 171.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 CA-C-N 116.434 -0.348 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt . . . . . 0 CA--C 1.504 -0.796 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 27.2 m-90 -96.9 124.57 40.92 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 176.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 17.6 m -125.41 129.82 50.63 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.587 -176.176 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.478 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 28.4 p90 -90.47 147.4 23.42 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.281 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -102.56 105.94 16.54 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.222 -173.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.587 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 57.6 t -94.2 127.76 45.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 93.9 m -109.74 108.87 19.39 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -125.98 106.1 9.38 Favored 'General case' 0 N--CA 1.425 -1.71 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.378 -174.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 65.3 34.25 8.47 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 121.621 0.724 . . . . 0.0 110.105 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.19 -10.04 67.65 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.084 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.6 mm -86.51 104.42 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.587 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 78.0 m -99.79 123.08 43.68 Favored 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -135.04 155.75 50.22 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 28.3 ptt180 -107.51 110.46 22.4 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.778 0.799 . . . . 0.0 111.382 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -94.88 133.01 39.08 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.1 m -98.93 129.32 45.25 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-O 121.525 0.679 . . . . 0.0 112.638 -171.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -140.42 -79.32 0.29 Allowed 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.546 -178.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -1.007 0 O-C-N 122.315 -0.24 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 86.9 tttt . . . . . 0 CA--C 1.538 0.5 0 CA-C-O 120.444 0.164 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -82.0 129.28 34.74 Favored 'General case' 0 C--O 1.242 0.706 0 O-C-N 121.75 -0.594 . . . . 0.0 111.027 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.1 m -138.43 149.02 45.07 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.121 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -135.52 159.15 42.49 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.627 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -103.09 127.14 50.47 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -177.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.6 t -115.38 133.62 61.1 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 177.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 73.7 m -109.09 109.06 19.97 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -114.43 99.81 7.85 Favored 'General case' 0 N--CA 1.411 -2.411 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.638 -175.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? 68.88 30.36 4.69 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.226 1.01 . . . . 0.0 110.761 177.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.05 -21.67 43.62 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.012 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.7 mm -84.32 108.2 16.3 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 84.6 m -99.06 116.29 30.94 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -126.69 160.56 30.42 Favored 'General case' 0 N--CA 1.427 -1.617 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.127 -177.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -102.61 129.61 49.24 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.5 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -108.07 129.48 55.14 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 97.7 m -105.87 122.59 46.42 Favored 'General case' 0 C--N 1.287 -2.146 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 176.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -89.6 94.2 9.77 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.259 -174.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.195 0 CA-C-N 116.202 -0.454 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp . . . . . 0 CA--C 1.502 -0.899 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -73.61 114.17 11.55 Favored 'General case' 0 N--CA 1.434 -1.233 0 CA-C-O 121.42 0.628 . . . . 0.0 110.235 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.1 m -132.09 128.63 38.6 Favored 'General case' 0 N--CA 1.423 -1.785 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 177.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -115.64 149.42 38.35 Favored 'General case' 0 C--N 1.284 -2.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.392 -176.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -79.43 117.86 20.79 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.374 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 53.5 t -108.46 122.17 62.58 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.9 m -109.23 109.17 20.04 Favored 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 174.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -114.09 97.75 6.55 Favored 'General case' 0 N--CA 1.411 -2.422 0 CA-C-N 114.801 -1.09 . . . . 0.0 108.591 -175.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 60.24 34.76 20.94 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 123.972 0.909 . . . . 0.0 110.932 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.98 -20.25 48.57 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.605 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.7 mm -82.62 99.86 5.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 74.0 m -99.76 123.95 44.53 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 121.021 0.439 . . . . 0.0 111.033 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -142.65 169.2 18.02 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.214 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.85 111.82 24.51 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.068 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -97.92 119.8 37.19 Favored 'General case' 0 C--N 1.282 -2.328 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -178.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.1 m -102.98 146.41 28.39 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -80.36 90.79 5.61 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.054 0 CA-C-N 116.382 -0.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt . . . . . 0 CA--C 1.516 -0.362 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.9 m-90 -77.55 140.12 39.67 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.097 0.475 . . . . 0.0 111.93 -175.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.7 m -133.92 147.15 51.06 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 174.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -124.43 156.63 36.84 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-O 120.612 0.244 . . . . 0.0 110.679 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -98.02 118.96 35.79 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.475 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 54.4 t -100.35 122.82 52.75 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.7 m -108.88 109.91 21.12 Favored 'General case' 0 C--N 1.279 -2.46 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 176.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -121.1 105.72 10.87 Favored 'General case' 0 N--CA 1.418 -2.064 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -175.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 63.56 33.73 13.13 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.698 0.799 . . . . 0.0 110.828 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.82 -21.73 43.22 Favored Glycine 0 C--O 1.242 0.647 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.293 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.6 mm -86.52 110.04 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.263 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 85.8 m -101.11 124.88 47.51 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.723 -178.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -132.23 158.28 42.19 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.164 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -89.73 135.27 33.72 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -126.15 126.82 44.76 Favored 'General case' 0 C--N 1.283 -2.31 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 175.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.8 m -113.94 131.2 56.4 Favored 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 71.05 84.2 0.14 Allowed 'General case' 0 C--O 1.236 0.388 0 O-C-N 124.346 1.029 . . . . 0.0 110.218 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.073 0 CA-C-N 116.176 -0.466 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt . . . . . 0 CA--C 1.498 -1.027 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -110.13 147.46 33.62 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.316 0.579 . . . . 0.0 112.12 -178.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 71.3 m -129.86 129.28 43.75 Favored 'General case' 0 C--N 1.289 -2.034 0 N-CA-C 106.865 -1.532 . . . . 0.0 106.865 172.509 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -123.49 145.47 48.82 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.787 -174.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -88.39 119.52 28.89 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 123.595 0.559 . . . . 0.0 110.516 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.6 t -108.22 127.99 64.05 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.04 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 177.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 71.6 m -109.82 119.43 39.33 Favored 'General case' 0 C--N 1.28 -2.453 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 176.345 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -122.72 100.26 6.82 Favored 'General case' 0 N--CA 1.415 -2.217 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -178.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 66.06 34.25 7.04 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.55 1.14 . . . . 0.0 111.075 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.35 -24.82 30.64 Favored Glycine 0 C--N 1.309 -0.933 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.012 178.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.3 mm -82.33 108.44 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 73.2 m -99.67 131.78 45.44 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.78 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -143.59 166.24 25.39 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -115.68 145.03 43.11 Favored 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.77 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 52.9 mttm -119.53 141.7 48.99 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.72 176.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.4 m -126.46 119.88 28.34 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 175.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -85.01 81.07 9.06 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.173 -177.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.233 0 CA-C-N 116.371 -0.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? . . . . . 0 C--O 1.24 0.563 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -94.68 141.3 28.78 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.047 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.6 m -134.92 130.1 35.33 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -105.82 147.29 28.84 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.002 0.43 . . . . 0.0 111.129 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -87.35 118.78 27.02 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-O 121.176 0.512 . . . . 0.0 110.723 -177.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 42.7 t -109.26 125.32 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.109 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.2 m -109.58 109.7 20.55 Favored 'General case' 0 C--N 1.284 -2.258 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 175.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -115.29 103.44 10.82 Favored 'General case' 0 N--CA 1.425 -1.684 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.876 -174.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 61.92 28.15 17.14 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.19 0.996 . . . . 0.0 111.596 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.55 -8.37 58.38 Favored Glycine 0 C--O 1.239 0.447 0 C-N-CA 121.332 -0.461 . . . . 0.0 112.767 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.5 mm -97.97 111.12 27.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 78.5 m -102.13 124.55 47.93 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 120.873 0.368 . . . . 0.0 111.282 -177.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -132.37 164.85 25.57 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -111.57 111.1 21.87 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 177.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -90.9 121.87 33.11 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -176.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.2 m -98.7 128.82 45.09 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.138 -178.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -93.12 103.65 15.92 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.283 0.563 . . . . 0.0 112.124 -176.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.177 0 CA-C-N 116.165 -0.47 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 87.0 mttt . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -84.6 109.92 18.33 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-O 121.714 0.769 . . . . 0.0 112.713 -171.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.53 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 76.6 m -119.02 128.78 54.69 Favored 'General case' 0 N--CA 1.423 -1.79 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 176.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -110.58 154.83 23.2 Favored 'General case' 0 C--N 1.287 -2.149 0 CA-C-O 121.294 0.569 . . . . 0.0 112.005 -175.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -89.75 119.14 29.89 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.575 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 49.0 t -110.36 125.68 67.62 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 176.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 72.3 m -108.56 108.97 20.08 Favored 'General case' 0 C--N 1.286 -2.164 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 176.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -116.25 106.21 13.42 Favored 'General case' 0 N--CA 1.418 -2.039 0 CA-C-N 114.583 -1.19 . . . . 0.0 108.194 -175.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 63.78 29.12 14.85 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.674 0.79 . . . . 0.0 112.186 176.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.42 -14.55 59.38 Favored Glycine 0 N--CA 1.444 -0.777 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.377 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.3 mm -95.08 113.08 28.72 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 80.2 m -99.51 116.82 32.54 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.182 0.515 . . . . 0.0 109.969 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -124.16 170.61 10.55 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.208 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -104.94 126.44 52.02 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -122.19 126.43 48.24 Favored 'General case' 0 C--N 1.288 -2.069 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 177.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.53 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 68.5 m -100.08 126.97 46.37 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -174.188 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 176.19 90.74 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.25 0 C-N-CA 125.529 1.531 . . . . 0.0 108.496 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.298 0 CA-C-N 116.515 -0.311 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt . . . . . 0 C--O 1.223 -0.316 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 -91.55 116.73 29.11 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 122.099 0.159 . . . . 0.0 111.183 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 69.8 m -130.93 151.92 50.81 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 177.241 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -139.55 155.99 47.16 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 120.738 0.304 . . . . 0.0 111.284 175.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -91.77 130.42 37.55 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.326 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.0 t -123.73 127.43 73.87 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 174.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.3 m -109.38 116.48 31.93 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 176.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -124.29 103.11 8.04 Favored 'General case' 0 N--CA 1.422 -1.87 0 CA-C-N 115.005 -0.998 . . . . 0.0 108.567 -176.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 67.04 25.35 9.24 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.167 0.987 . . . . 0.0 110.984 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.93 -10.3 62.08 Favored Glycine 0 C--N 1.311 -0.847 0 C-N-CA 121.07 -0.586 . . . . 0.0 111.666 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.8 mm -88.32 104.35 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.5 m -99.35 112.62 24.77 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.515 0.674 . . . . 0.0 110.003 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -126.58 167.45 15.64 Favored 'General case' 0 C--N 1.287 -2.152 0 CA-C-N 115.105 -0.952 . . . . 0.0 108.869 -177.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -111.39 142.47 43.6 Favored 'General case' 0 C--N 1.288 -2.102 0 CA-C-O 121.224 0.535 . . . . 0.0 110.538 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -114.74 117.42 30.74 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 174.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 86.7 m -99.88 134.8 42.25 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.085 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 44.4 mtt-85 -85.15 -82.46 0.18 Allowed 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.297 -176.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.467 0 O-C-N 122.225 -0.297 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 61.5 pttt . . . . . 0 N--CA 1.47 0.571 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 6.1 p90 -92.12 150.98 20.64 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.622 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.0 m -129.38 146.0 51.31 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -134.62 156.83 48.04 Favored 'General case' 0 C--N 1.29 -2.016 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -109.19 120.29 42.07 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 120.884 0.373 . . . . 0.0 110.01 -176.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 59.9 t -104.76 134.72 45.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -178.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 75.7 m -108.97 108.3 18.98 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 175.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -119.21 109.99 16.5 Favored 'General case' 0 N--CA 1.418 -2.043 0 CA-C-N 114.654 -1.157 . . . . 0.0 108.028 -173.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.5 mtm180 63.16 31.76 15.51 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.812 0.845 . . . . 0.0 110.842 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.46 -23.52 33.39 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.091 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.7 mm -84.71 114.61 25.27 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 67.7 m -99.45 124.56 44.71 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -134.83 151.67 51.12 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.364 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -95.82 128.38 42.66 Favored 'General case' 0 C--N 1.288 -2.094 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.786 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -99.18 127.23 45.12 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 175.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.2 m -136.87 138.56 40.86 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 177.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -160.93 91.1 0.87 Allowed 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.603 0 CA-C-N 116.055 -0.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 67.9 mttm . . . . . 0 C--O 1.239 0.502 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 17.9 p-90 -70.64 145.63 50.53 Favored 'General case' 0 C--O 1.254 1.325 0 CA-C-O 121.706 0.765 . . . . 0.0 112.804 -178.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 62.8 m -126.31 151.55 47.38 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.616 178.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -134.01 160.46 37.68 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -112.45 126.13 54.97 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 120.741 0.305 . . . . 0.0 110.31 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 61.9 t -108.76 131.79 58.47 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.439 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.0 m -109.83 109.13 19.69 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 174.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -117.13 101.58 8.59 Favored 'General case' 0 N--CA 1.414 -2.247 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.031 -175.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 64.58 28.44 13.29 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.21 1.004 . . . . 0.0 110.72 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.67 -12.74 59.57 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.159 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.6 mm -87.15 103.69 13.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 71.7 m -99.85 116.79 32.74 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -130.07 160.23 34.34 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.858 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -99.04 133.55 43.15 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -128.78 123.82 33.89 Favored 'General case' 0 C--N 1.285 -2.22 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.0 m -103.87 141.69 35.7 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.271 -178.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -116.15 -87.35 0.6 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.033 175.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.101 0 CA-C-N 116.197 -0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.423 ' HE2' ' SG ' ' A' ' 3' ' ' CYS . 26.2 pttm . . . . . 0 CA--C 1.513 -0.451 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 33.6 t90 -108.32 117.49 34.3 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 121.266 0.555 . . . . 0.0 110.189 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 84.8 m -120.27 129.75 54.18 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 115.113 -0.948 . . . . 0.0 109.732 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -119.22 159.49 23.95 Favored 'General case' 0 C--N 1.285 -2.196 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -105.35 129.83 53.6 Favored 'General case' 0 C--N 1.287 -2.11 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.525 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 59.6 t -107.27 125.44 63.48 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.429 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.4 m -108.95 109.1 20.08 Favored 'General case' 0 C--N 1.279 -2.466 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 171.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -115.58 101.05 8.51 Favored 'General case' 0 N--CA 1.411 -2.376 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 -175.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 65.06 26.33 12.57 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.482 0.713 . . . . 0.0 111.228 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.29 -13.01 60.22 Favored Glycine 0 N--CA 1.439 -1.125 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.732 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.1 mm -86.94 102.74 12.5 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 178.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 80.8 m -99.25 116.62 31.87 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 120.97 0.414 . . . . 0.0 110.908 -178.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -132.67 161.16 34.68 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.674 -179.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -94.52 122.95 37.63 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -118.33 121.56 40.69 Favored 'General case' 0 C--N 1.287 -2.137 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 61.8 m -104.85 132.74 50.72 Favored 'General case' 0 C--N 1.291 -1.938 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -179.575 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -140.08 -83.91 0.24 Allowed 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -177.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.901 0 O-C-N 122.129 -0.357 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp . . . . . 0 N--CA 1.448 -0.566 0 CA-C-O 120.416 0.15 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 13.1 m-90 -111.03 143.3 41.95 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-O 121.124 0.488 . . . . 0.0 111.852 -178.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.7 m -109.44 132.97 53.63 Favored 'General case' 0 C--N 1.293 -1.878 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.956 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -114.14 151.44 32.65 Favored 'General case' 0 C--N 1.291 -1.939 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.858 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -105.7 122.76 46.73 Favored 'General case' 0 N--CA 1.421 -1.922 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 58.3 t -100.15 129.47 50.81 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.997 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 179.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 88.1 m -108.81 109.8 21.01 Favored 'General case' 0 C--N 1.284 -2.241 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 177.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -129.16 124.79 35.56 Favored 'General case' 0 N--CA 1.418 -2.046 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 -177.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 53.51 27.89 7.08 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 125.355 1.462 . . . . 0.0 113.731 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.68 -11.93 64.58 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.775 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.4 mm -97.1 109.58 23.45 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.286 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 78.7 m -99.71 118.74 36.86 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.282 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -128.1 168.11 15.82 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.093 -177.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -110.9 130.32 55.62 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -175.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -115.16 140.52 49.01 Favored 'General case' 0 C--O 1.244 0.771 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 174.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.7 m -135.43 143.31 45.87 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 120.805 0.336 . . . . 0.0 111.299 -175.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -126.7 92.93 3.65 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.783 177.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 CA-C-N 116.468 -0.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.0 pttp . . . . . 0 C--O 1.24 0.57 0 CA-C-O 120.869 0.366 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -107.61 109.31 20.91 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-O 121.572 0.701 . . . . 0.0 109.384 177.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.5 m -133.86 142.64 47.89 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-N 114.845 -1.071 . . . . 0.0 108.24 -176.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -115.27 145.7 42.2 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 177.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -89.63 122.6 32.91 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -176.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 47.1 t -113.16 132.06 63.07 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.038 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.9 m -110.02 109.9 20.64 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -123.84 120.56 32.96 Favored 'General case' 0 N--CA 1.423 -1.814 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 55.27 24.87 6.81 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 125.715 1.606 . . . . 0.0 113.429 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.46 -3.41 59.53 Favored Glycine 0 C--N 1.313 -0.714 0 N-CA-C 111.899 -0.481 . . . . 0.0 111.899 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.5 mm -103.6 108.35 24.31 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 68.4 m -99.85 127.09 46.04 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.34 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -133.6 164.53 26.97 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.117 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -101.53 104.3 15.2 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 177.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -86.64 115.23 23.96 Favored 'General case' 0 N--CA 1.422 -1.832 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.0 m -99.51 149.47 23.2 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.459 -176.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -96.09 -79.72 0.44 Allowed 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.893 -178.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -1.011 0 O-C-N 122.15 -0.344 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? . . . . . 0 C--O 1.236 0.347 0 CA-C-O 121.777 0.798 . . . . 0.0 111.908 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -104.18 140.99 37.03 Favored 'General case' 0 C--O 1.25 1.08 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.203 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.4 m -117.85 129.97 55.98 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.807 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -128.08 151.51 49.1 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.889 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -84.76 131.04 34.6 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 120.829 0.347 . . . . 0.0 110.114 178.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.5 t -119.49 129.29 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.67 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 177.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.2 m -108.72 109.46 20.63 Favored 'General case' 0 C--N 1.277 -2.554 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 174.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -110.12 101.79 10.55 Favored 'General case' 0 N--CA 1.412 -2.363 0 CA-C-N 114.376 -1.283 . . . . 0.0 108.205 -175.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 63.33 31.0 15.53 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 124.1 0.96 . . . . 0.0 111.397 177.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.44 -9.91 59.27 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.813 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.2 mm -96.42 112.13 27.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.9 m -100.03 124.66 45.64 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.207 0.527 . . . . 0.0 111.317 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -143.98 167.12 23.12 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.836 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -90.77 136.55 33.0 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 174.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -125.36 123.05 38.52 Favored 'General case' 0 C--N 1.273 -2.755 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 176.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.6 m -106.37 138.8 41.9 Favored 'General case' 0 C--N 1.287 -2.114 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -178.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 69.93 -89.69 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.852 0.861 . . . . 0.0 111.587 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.098 0 O-C-N 121.969 -0.457 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.6 p90 . . . . . 0 N--CA 1.441 -0.877 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -103.55 129.72 50.82 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 48.7 t -116.47 126.59 74.01 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 86.7 m -109.38 109.22 20.03 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 174.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -126.8 109.73 12.32 Favored 'General case' 0 N--CA 1.425 -1.709 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.283 -173.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 65.13 24.88 12.44 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.729 0.812 . . . . 0.0 111.574 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.23 -10.13 59.74 Favored Glycine 0 C--N 1.307 -1.076 0 N-CA-C 111.688 -0.565 . . . . 0.0 111.688 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.2 mm -96.77 108.58 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.236 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 80.7 m -99.25 122.41 42.38 Favored 'General case' 0 C--N 1.294 -1.848 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 176.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -136.1 153.31 51.35 Favored 'General case' 0 C--N 1.285 -2.2 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.647 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -89.61 135.16 33.77 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.9 tttt . . . . . 0 C--N 1.286 -2.154 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.125 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.3 p90 . . . . . 0 N--CA 1.421 -1.877 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -107.73 128.64 54.75 Favored 'General case' 0 C--N 1.288 -2.088 0 CA-C-O 121.099 0.476 . . . . 0.0 110.405 -177.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 85.7 t -112.18 135.8 50.37 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 79.6 m -108.32 114.44 28.31 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 175.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -125.82 105.6 9.07 Favored 'General case' 0 N--CA 1.409 -2.475 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.702 -175.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 61.36 32.97 19.05 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 124.046 0.939 . . . . 0.0 111.684 177.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.17 -15.9 58.69 Favored Glycine 0 N--CA 1.442 -0.928 0 CA-C-N 115.329 -0.851 . . . . 0.0 112.251 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.2 mm -92.2 109.64 21.7 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 84.5 m -99.76 110.0 22.41 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 177.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -123.33 156.57 35.08 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.159 -174.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -99.2 123.78 43.75 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.93 -176.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt . . . . . 0 C--N 1.303 -1.414 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 175.027 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 22.4 p90 . . . . . 0 N--CA 1.439 -0.98 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -93.32 123.56 36.7 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.914 -176.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.4 t -117.08 132.03 68.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 98.9 m -109.53 108.77 19.36 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 175.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -118.14 110.76 18.0 Favored 'General case' 0 N--CA 1.416 -2.171 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.75 -174.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 64.94 23.22 12.57 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.43 1.092 . . . . 0.0 111.111 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.2 -14.85 59.56 Favored Glycine 0 N--CA 1.436 -1.322 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.589 -178.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.1 mm -87.93 110.77 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.954 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.1 m -99.17 124.39 44.19 Favored 'General case' 0 C--N 1.285 -2.212 0 CA-C-O 121.473 0.654 . . . . 0.0 109.659 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -137.43 166.56 23.54 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.09 -178.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 87.2 mtm180 -120.17 119.94 34.73 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.127 -178.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 95.3 mttt . . . . . 0 C--N 1.306 -1.292 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 175.165 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.0 p90 . . . . . 0 N--CA 1.43 -1.46 0 CA-C-O 120.842 0.353 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -91.93 128.23 37.69 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.432 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.479 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 56.2 t -119.94 127.22 75.88 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 178.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.7 m -109.47 108.76 19.38 Favored 'General case' 0 C--N 1.284 -2.274 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 175.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -110.45 109.87 20.41 Favored 'General case' 0 N--CA 1.414 -2.231 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 -176.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 65.62 20.44 11.59 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 123.724 0.64 . . . . 0.0 111.679 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.14 -8.91 67.58 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.993 -0.622 . . . . 0.0 111.587 -177.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.4 mm -87.57 108.32 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.1 m -99.97 130.29 46.13 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-O 121.546 0.688 . . . . 0.0 111.919 -175.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.479 ' CE1' ' HB ' ' A' ' 6' ' ' VAL . 24.3 p90 -142.13 168.44 19.74 Favored 'General case' 0 C--N 1.292 -1.908 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.234 178.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -116.12 133.97 55.44 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 120.548 -0.461 . . . . 0.0 109.844 177.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.6 mttm . . . . . 0 C--N 1.294 -1.819 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.886 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.6 p90 . . . . . 0 CA--C 1.508 -0.662 0 CA-C-O 120.388 0.137 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -97.13 126.08 42.06 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 48.0 t -108.95 120.31 60.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 176.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.9 m -109.83 116.9 32.5 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -140.07 114.75 9.43 Favored 'General case' 0 N--CA 1.419 -2.002 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -176.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 56.7 29.21 15.41 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 125.944 1.698 . . . . 0.0 113.305 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.36 -10.49 63.28 Favored Glycine 0 C--N 1.308 -0.986 0 N-CA-C 111.636 -0.585 . . . . 0.0 111.636 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.5 mm -96.67 106.1 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.718 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 72.1 m -105.93 132.75 51.66 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 177.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -146.88 166.03 27.97 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.127 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -104.92 137.0 43.36 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt . . . . . 0 C--N 1.305 -1.339 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 174.241 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.8 p90 . . . . . 0 N--CA 1.431 -1.403 0 CA-C-O 120.962 0.41 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -88.83 112.16 22.91 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.807 -177.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 54.5 t -108.89 125.38 65.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 177.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 72.4 m -109.33 109.66 20.61 Favored 'General case' 0 C--N 1.286 -2.177 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 176.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -114.91 109.82 18.71 Favored 'General case' 0 N--CA 1.426 -1.631 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -176.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 62.79 24.03 14.32 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.27 1.028 . . . . 0.0 111.171 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.83 -15.78 58.01 Favored Glycine 0 N--CA 1.44 -1.057 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.399 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.2 mm -83.76 109.81 17.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 75.8 m -99.38 125.18 45.02 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -132.44 160.08 37.45 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.026 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -103.47 116.77 33.02 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.7 tttm . . . . . 0 C--N 1.283 -2.304 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 179.153 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.478 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 28.4 p90 . . . . . 0 N--CA 1.438 -1.063 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -102.56 105.94 16.54 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.222 -173.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.587 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 57.6 t -94.2 127.76 45.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 93.9 m -109.74 108.87 19.39 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -125.98 106.1 9.38 Favored 'General case' 0 N--CA 1.425 -1.71 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.378 -174.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 65.3 34.25 8.47 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 121.621 0.724 . . . . 0.0 110.105 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.19 -10.04 67.65 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.084 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.6 mm -86.51 104.42 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.587 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 78.0 m -99.79 123.08 43.68 Favored 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -135.04 155.75 50.22 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 28.3 ptt180 -107.51 110.46 22.4 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.778 0.799 . . . . 0.0 111.382 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt . . . . . 0 C--N 1.298 -1.663 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 -179.391 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.6 p90 . . . . . 0 N--CA 1.442 -0.84 0 CA-C-O 120.417 0.151 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -103.09 127.14 50.47 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -177.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.6 t -115.38 133.62 61.1 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 177.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 73.7 m -109.09 109.06 19.97 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -114.43 99.81 7.85 Favored 'General case' 0 N--CA 1.411 -2.411 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.638 -175.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? 68.88 30.36 4.69 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.226 1.01 . . . . 0.0 110.761 177.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.05 -21.67 43.62 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.012 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.7 mm -84.32 108.2 16.3 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 84.6 m -99.06 116.29 30.94 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -126.69 160.56 30.42 Favored 'General case' 0 N--CA 1.427 -1.617 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.127 -177.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -102.61 129.61 49.24 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.5 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp . . . . . 0 C--N 1.299 -1.593 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 175.796 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.7 p90 . . . . . 0 N--CA 1.43 -1.449 0 CA-C-O 120.89 0.376 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -79.43 117.86 20.79 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.374 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 53.5 t -108.46 122.17 62.58 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.9 m -109.23 109.17 20.04 Favored 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 174.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -114.09 97.75 6.55 Favored 'General case' 0 N--CA 1.411 -2.422 0 CA-C-N 114.801 -1.09 . . . . 0.0 108.591 -175.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 60.24 34.76 20.94 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 123.972 0.909 . . . . 0.0 110.932 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.98 -20.25 48.57 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.605 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.7 mm -82.62 99.86 5.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 74.0 m -99.76 123.95 44.53 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 121.021 0.439 . . . . 0.0 111.033 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -142.65 169.2 18.02 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.214 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.85 111.82 24.51 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 C--N 1.282 -2.328 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -178.214 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.5 p90 . . . . . 0 N--CA 1.435 -1.21 0 CA-C-O 120.612 0.244 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -98.02 118.96 35.79 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.475 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 54.4 t -100.35 122.82 52.75 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.7 m -108.88 109.91 21.12 Favored 'General case' 0 C--N 1.279 -2.46 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 176.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -121.1 105.72 10.87 Favored 'General case' 0 N--CA 1.418 -2.064 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -175.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 63.56 33.73 13.13 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.698 0.799 . . . . 0.0 110.828 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.82 -21.73 43.22 Favored Glycine 0 C--O 1.242 0.647 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.293 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.6 mm -86.52 110.04 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.263 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 85.8 m -101.11 124.88 47.51 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.723 -178.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -132.23 158.28 42.19 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.164 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -89.73 135.27 33.72 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.3 tttt . . . . . 0 C--N 1.283 -2.31 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 175.764 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.1 p90 . . . . . 0 CA--C 1.503 -0.829 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -88.39 119.52 28.89 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 123.595 0.559 . . . . 0.0 110.516 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.6 t -108.22 127.99 64.05 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.04 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 177.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 71.6 m -109.82 119.43 39.33 Favored 'General case' 0 C--N 1.28 -2.453 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 176.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -122.72 100.26 6.82 Favored 'General case' 0 N--CA 1.415 -2.217 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -178.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 66.06 34.25 7.04 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.55 1.14 . . . . 0.0 111.075 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.35 -24.82 30.64 Favored Glycine 0 C--N 1.309 -0.933 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.012 178.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.3 mm -82.33 108.44 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 73.2 m -99.67 131.78 45.44 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.78 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -143.59 166.24 25.39 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -115.68 145.03 43.11 Favored 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.77 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.9 mttm . . . . . 0 C--N 1.302 -1.459 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.72 176.749 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.5 p90 . . . . . 0 N--CA 1.439 -0.98 0 CA-C-O 121.002 0.43 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -87.35 118.78 27.02 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-O 121.176 0.512 . . . . 0.0 110.723 -177.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 42.7 t -109.26 125.32 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.109 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.2 m -109.58 109.7 20.55 Favored 'General case' 0 C--N 1.284 -2.258 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 175.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -115.29 103.44 10.82 Favored 'General case' 0 N--CA 1.425 -1.684 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.876 -174.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 61.92 28.15 17.14 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.19 0.996 . . . . 0.0 111.596 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.55 -8.37 58.38 Favored Glycine 0 C--O 1.239 0.447 0 C-N-CA 121.332 -0.461 . . . . 0.0 112.767 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.5 mm -97.97 111.12 27.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 78.5 m -102.13 124.55 47.93 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 120.873 0.368 . . . . 0.0 111.282 -177.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -132.37 164.85 25.57 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -111.57 111.1 21.87 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 177.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--N 1.29 -2.013 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -176.974 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.9 p90 . . . . . 0 N--CA 1.425 -1.694 0 CA-C-O 121.294 0.569 . . . . 0.0 112.005 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -89.75 119.14 29.89 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.575 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 49.0 t -110.36 125.68 67.62 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 176.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 72.3 m -108.56 108.97 20.08 Favored 'General case' 0 C--N 1.286 -2.164 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 176.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -116.25 106.21 13.42 Favored 'General case' 0 N--CA 1.418 -2.039 0 CA-C-N 114.583 -1.19 . . . . 0.0 108.194 -175.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 63.78 29.12 14.85 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.674 0.79 . . . . 0.0 112.186 176.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.42 -14.55 59.38 Favored Glycine 0 N--CA 1.444 -0.777 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.377 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.3 mm -95.08 113.08 28.72 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 80.2 m -99.51 116.82 32.54 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.182 0.515 . . . . 0.0 109.969 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -124.16 170.61 10.55 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.208 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -104.94 126.44 52.02 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.0 tttt . . . . . 0 C--N 1.288 -2.069 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 177.649 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.1 p90 . . . . . 0 N--CA 1.441 -0.883 0 CA-C-O 120.738 0.304 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -91.77 130.42 37.55 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.326 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.0 t -123.73 127.43 73.87 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 174.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.3 m -109.38 116.48 31.93 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 176.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -124.29 103.11 8.04 Favored 'General case' 0 N--CA 1.422 -1.87 0 CA-C-N 115.005 -0.998 . . . . 0.0 108.567 -176.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 67.04 25.35 9.24 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.167 0.987 . . . . 0.0 110.984 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.93 -10.3 62.08 Favored Glycine 0 C--N 1.311 -0.847 0 C-N-CA 121.07 -0.586 . . . . 0.0 111.666 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.8 mm -88.32 104.35 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.5 m -99.35 112.62 24.77 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.515 0.674 . . . . 0.0 110.003 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -126.58 167.45 15.64 Favored 'General case' 0 C--N 1.287 -2.152 0 CA-C-N 115.105 -0.952 . . . . 0.0 108.869 -177.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -111.39 142.47 43.6 Favored 'General case' 0 C--N 1.288 -2.102 0 CA-C-O 121.224 0.535 . . . . 0.0 110.538 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp . . . . . 0 C--N 1.294 -1.808 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 174.637 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.3 p90 . . . . . 0 N--CA 1.433 -1.284 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -109.19 120.29 42.07 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 120.884 0.373 . . . . 0.0 110.01 -176.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 59.9 t -104.76 134.72 45.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -178.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 75.7 m -108.97 108.3 18.98 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 175.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -119.21 109.99 16.5 Favored 'General case' 0 N--CA 1.418 -2.043 0 CA-C-N 114.654 -1.157 . . . . 0.0 108.028 -173.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.5 mtm180 63.16 31.76 15.51 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.812 0.845 . . . . 0.0 110.842 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.46 -23.52 33.39 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.091 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.7 mm -84.71 114.61 25.27 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 67.7 m -99.45 124.56 44.71 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -134.83 151.67 51.12 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.364 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -95.82 128.38 42.66 Favored 'General case' 0 C--N 1.288 -2.094 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.786 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.8 mttt . . . . . 0 C--N 1.309 -1.185 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 175.964 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.0 p90 . . . . . 0 N--CA 1.44 -0.966 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -112.45 126.13 54.97 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 120.741 0.305 . . . . 0.0 110.31 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 61.9 t -108.76 131.79 58.47 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.0 m -109.83 109.13 19.69 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 174.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -117.13 101.58 8.59 Favored 'General case' 0 N--CA 1.414 -2.247 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.031 -175.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 64.58 28.44 13.29 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.21 1.004 . . . . 0.0 110.72 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.67 -12.74 59.57 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.159 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.6 mm -87.15 103.69 13.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 71.7 m -99.85 116.79 32.74 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -130.07 160.23 34.34 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.858 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -99.04 133.55 43.15 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--N 1.285 -2.22 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.149 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.2 p90 . . . . . 0 N--CA 1.422 -1.851 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -105.35 129.83 53.6 Favored 'General case' 0 C--N 1.287 -2.11 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.525 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 59.6 t -107.27 125.44 63.48 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.429 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.4 m -108.95 109.1 20.08 Favored 'General case' 0 C--N 1.279 -2.466 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 171.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -115.58 101.05 8.51 Favored 'General case' 0 N--CA 1.411 -2.376 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 -175.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 65.06 26.33 12.57 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.482 0.713 . . . . 0.0 111.228 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.29 -13.01 60.22 Favored Glycine 0 N--CA 1.439 -1.125 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.732 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.1 mm -86.94 102.74 12.5 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 178.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 80.8 m -99.25 116.62 31.87 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 120.97 0.414 . . . . 0.0 110.908 -178.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -132.67 161.16 34.68 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.674 -179.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -94.52 122.95 37.63 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.1 tttt . . . . . 0 C--N 1.287 -2.137 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 179.095 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.3 p90 . . . . . 0 N--CA 1.426 -1.647 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -105.7 122.76 46.73 Favored 'General case' 0 N--CA 1.421 -1.922 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 58.3 t -100.15 129.47 50.81 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.997 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 179.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 88.1 m -108.81 109.8 21.01 Favored 'General case' 0 C--N 1.284 -2.241 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 177.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -129.16 124.79 35.56 Favored 'General case' 0 N--CA 1.418 -2.046 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 -177.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 53.51 27.89 7.08 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 125.355 1.462 . . . . 0.0 113.731 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.68 -11.93 64.58 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.775 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.4 mm -97.1 109.58 23.45 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.286 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 78.7 m -99.71 118.74 36.86 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.282 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -128.1 168.11 15.82 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.093 -177.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -110.9 130.32 55.62 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -175.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt . . . . . 0 C--O 1.244 0.771 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 174.202 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.6 p90 . . . . . 0 N--CA 1.435 -1.199 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -89.63 122.6 32.91 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -176.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 47.1 t -113.16 132.06 63.07 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.038 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.9 m -110.02 109.9 20.64 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -123.84 120.56 32.96 Favored 'General case' 0 N--CA 1.423 -1.814 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 55.27 24.87 6.81 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 125.715 1.606 . . . . 0.0 113.429 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.46 -3.41 59.53 Favored Glycine 0 C--N 1.313 -0.714 0 N-CA-C 111.899 -0.481 . . . . 0.0 111.899 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.5 mm -103.6 108.35 24.31 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 68.4 m -99.85 127.09 46.04 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -133.6 164.53 26.97 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.117 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -101.53 104.3 15.2 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 177.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.6 tttm . . . . . 0 N--CA 1.422 -1.832 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -179.264 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.3 p90 . . . . . 0 N--CA 1.433 -1.289 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -84.76 131.04 34.6 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 120.829 0.347 . . . . 0.0 110.114 178.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.5 t -119.49 129.29 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.67 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 177.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.2 m -108.72 109.46 20.63 Favored 'General case' 0 C--N 1.277 -2.554 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 174.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -110.12 101.79 10.55 Favored 'General case' 0 N--CA 1.412 -2.363 0 CA-C-N 114.376 -1.283 . . . . 0.0 108.205 -175.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 63.33 31.0 15.53 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 124.1 0.96 . . . . 0.0 111.397 177.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.44 -9.91 59.27 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.813 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.2 mm -96.42 112.13 27.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.9 m -100.03 124.66 45.64 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.207 0.527 . . . . 0.0 111.317 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -143.98 167.12 23.12 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.836 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -90.77 136.55 33.0 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 174.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.2 tttt . . . . . 0 C--N 1.273 -2.755 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 176.287 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm . . . . . 0 CA--C 1.504 -0.811 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 54.2 t90 -85.2 125.08 32.56 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.3 m -132.07 133.02 43.89 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -110.34 160.11 16.85 Favored 'General case' 0 C--N 1.293 -1.88 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -103.55 129.72 50.82 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 48.7 t -116.47 126.59 74.01 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 86.7 m -109.38 109.22 20.03 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 174.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -126.8 109.73 12.32 Favored 'General case' 0 N--CA 1.425 -1.709 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.283 -173.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 65.13 24.88 12.44 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.729 0.812 . . . . 0.0 111.574 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.23 -10.13 59.74 Favored Glycine 0 C--N 1.307 -1.076 0 N-CA-C 111.688 -0.565 . . . . 0.0 111.688 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.2 mm -96.77 108.58 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.236 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 80.7 m -99.25 122.41 42.38 Favored 'General case' 0 C--N 1.294 -1.848 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 176.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -136.1 153.31 51.35 Favored 'General case' 0 C--N 1.285 -2.2 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.647 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -89.61 135.16 33.77 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -121.45 117.36 26.68 Favored 'General case' 0 C--N 1.286 -2.154 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.7 m -100.75 148.01 25.39 Favored 'General case' 0 C--N 1.293 -1.884 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.664 -175.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -106.28 87.08 2.47 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 121.266 0.555 . . . . 0.0 109.792 174.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.659 0 CA-C-N 115.993 -0.548 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt . . . . . 0 CA--C 1.503 -0.83 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -82.61 113.54 20.38 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.3 m -126.53 156.18 41.2 Favored 'General case' 0 N--CA 1.417 -2.115 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.06 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -137.43 148.37 46.08 Favored 'General case' 0 N--CA 1.421 -1.877 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.657 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -107.73 128.64 54.75 Favored 'General case' 0 C--N 1.288 -2.088 0 CA-C-O 121.099 0.476 . . . . 0.0 110.405 -177.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 85.7 t -112.18 135.8 50.37 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 79.6 m -108.32 114.44 28.31 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 175.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -125.82 105.6 9.07 Favored 'General case' 0 N--CA 1.409 -2.475 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.702 -175.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 61.36 32.97 19.05 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 124.046 0.939 . . . . 0.0 111.684 177.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.17 -15.9 58.69 Favored Glycine 0 N--CA 1.442 -0.928 0 CA-C-N 115.329 -0.851 . . . . 0.0 112.251 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.2 mm -92.2 109.64 21.7 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 84.5 m -99.76 110.0 22.41 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 177.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -123.33 156.57 35.08 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.159 -174.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -99.2 123.78 43.75 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.93 -176.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -109.17 143.86 38.01 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 175.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.6 m -132.18 147.61 52.43 Favored 'General case' 0 C--N 1.297 -1.685 0 C-N-CA 120.394 -0.522 . . . . 0.0 111.126 -177.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -106.83 -80.43 0.56 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 174.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.108 0 O-C-N 122.287 -0.258 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 CA--C 1.505 -0.781 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -68.0 132.65 47.67 Favored 'General case' 0 C--O 1.249 1.031 0 O-C-N 123.651 0.594 . . . . 0.0 110.464 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.535 ' HB3' ' HB3' ' A' ' 14' ' ' ARG . 16.4 m -137.74 132.94 33.52 Favored 'General case' 0 N--CA 1.427 -1.605 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 -179.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 22.4 p90 -100.47 143.11 31.04 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 175.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -93.32 123.56 36.7 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.914 -176.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.4 t -117.08 132.03 68.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 98.9 m -109.53 108.77 19.36 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 175.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -118.14 110.76 18.0 Favored 'General case' 0 N--CA 1.416 -2.171 0 CA-C-N 115.326 -0.852 . . . . 0.0 108.75 -174.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 64.94 23.22 12.57 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.43 1.092 . . . . 0.0 111.111 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.2 -14.85 59.56 Favored Glycine 0 N--CA 1.436 -1.322 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.589 -178.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.1 mm -87.93 110.77 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.954 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.1 m -99.17 124.39 44.19 Favored 'General case' 0 C--N 1.285 -2.212 0 CA-C-O 121.473 0.654 . . . . 0.0 109.659 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -137.43 166.56 23.54 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.09 -178.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.535 ' HB3' ' HB3' ' A' ' 3' ' ' CYS . 87.2 mtm180 -120.17 119.94 34.73 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.127 -178.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 95.3 mttt -87.06 115.05 24.18 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 175.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.9 m -99.9 131.88 45.59 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 121.254 0.55 . . . . 0.0 112.366 -175.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -132.78 86.18 2.29 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.112 177.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 CA-C-N 116.544 -0.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.1 mptt . . . . . 0 CA--C 1.512 -0.503 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 -81.9 117.15 21.92 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 120.956 0.408 . . . . 0.0 110.261 178.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.7 m -115.5 138.64 50.83 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.684 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -128.63 142.35 51.06 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -91.93 128.23 37.69 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.432 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.479 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 56.2 t -119.94 127.22 75.88 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 178.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 91.7 m -109.47 108.76 19.38 Favored 'General case' 0 C--N 1.284 -2.274 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 175.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -110.45 109.87 20.41 Favored 'General case' 0 N--CA 1.414 -2.231 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 -176.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 65.62 20.44 11.59 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 123.724 0.64 . . . . 0.0 111.679 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.14 -8.91 67.58 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.993 -0.622 . . . . 0.0 111.587 -177.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.4 mm -87.57 108.32 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.1 m -99.97 130.29 46.13 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-O 121.546 0.688 . . . . 0.0 111.919 -175.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.479 ' CE1' ' HB ' ' A' ' 6' ' ' VAL . 24.3 p90 -142.13 168.44 19.74 Favored 'General case' 0 C--N 1.292 -1.908 0 CA-C-N 114.877 -1.056 . . . . 0.0 109.234 178.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -116.12 133.97 55.44 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 120.548 -0.461 . . . . 0.0 109.844 177.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -106.21 125.23 50.75 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.7 m -108.45 123.87 49.53 Favored 'General case' 0 C--N 1.286 -2.181 0 CA-C-O 121.092 0.472 . . . . 0.0 110.857 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -126.08 -85.5 0.62 Allowed 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.427 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -1.021 0 CA-C-N 116.808 -0.178 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 CA--C 1.499 -1.002 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 10.1 m-90 -84.24 113.8 21.37 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 123.683 0.615 . . . . 0.0 109.588 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.0 m -117.69 128.75 55.22 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -103.19 155.98 18.04 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.048 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -97.13 126.08 42.06 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 48.0 t -108.95 120.31 60.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 176.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.9 m -109.83 116.9 32.5 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -140.07 114.75 9.43 Favored 'General case' 0 N--CA 1.419 -2.002 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -176.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 56.7 29.21 15.41 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 125.944 1.698 . . . . 0.0 113.305 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.36 -10.49 63.28 Favored Glycine 0 C--N 1.308 -0.986 0 N-CA-C 111.636 -0.585 . . . . 0.0 111.636 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.5 mm -96.67 106.1 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.718 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 72.1 m -105.93 132.75 51.66 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 177.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -146.88 166.03 27.97 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.127 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -104.92 137.0 43.36 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -118.71 140.0 50.65 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 174.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.1 m -116.91 138.99 51.16 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -77.98 99.22 5.97 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 120.209 -0.596 . . . . 0.0 109.554 -178.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.475 0 CA-C-N 116.386 -0.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.9 pttp . . . . . 0 CA--C 1.508 -0.657 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -92.91 138.63 31.32 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-O 121.08 0.467 . . . . 0.0 109.893 178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.1 m -136.98 131.81 33.45 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 107.402 -1.332 . . . . 0.0 107.402 178.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -108.83 145.53 35.11 Favored 'General case' 0 C--N 1.285 -2.219 0 CA-C-O 120.962 0.41 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -88.83 112.16 22.91 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.807 -177.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 54.5 t -108.89 125.38 65.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 177.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 72.4 m -109.33 109.66 20.61 Favored 'General case' 0 C--N 1.286 -2.177 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 176.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -114.91 109.82 18.71 Favored 'General case' 0 N--CA 1.426 -1.631 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 -176.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 62.79 24.03 14.32 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.27 1.028 . . . . 0.0 111.171 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.83 -15.78 58.01 Favored Glycine 0 N--CA 1.44 -1.057 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.399 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.2 mm -83.76 109.81 17.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 75.8 m -99.38 125.18 45.02 Favored 'General case' 0 C--N 1.295 -1.777 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -132.44 160.08 37.45 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.026 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -103.47 116.77 33.02 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -102.68 122.8 45.17 Favored 'General case' 0 C--N 1.283 -2.304 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.7 m -111.8 175.07 5.58 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-O 120.787 0.327 . . . . 0.0 110.434 -174.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -109.54 80.98 1.37 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 171.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 CA-C-N 116.434 -0.348 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt . . . . . 0 CA--C 1.504 -0.796 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 27.2 m-90 -96.9 124.57 40.92 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 176.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 17.6 m -125.41 129.82 50.63 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.587 -176.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.478 ' O ' ' HA ' ' A' ' 14' ' ' ARG . 28.4 p90 -90.47 147.4 23.42 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.281 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -102.56 105.94 16.54 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.222 -173.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.587 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 57.6 t -94.2 127.76 45.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 93.9 m -109.74 108.87 19.39 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -125.98 106.1 9.38 Favored 'General case' 0 N--CA 1.425 -1.71 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.378 -174.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.4 mtm180 65.3 34.25 8.47 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 121.621 0.724 . . . . 0.0 110.105 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.19 -10.04 67.65 Favored Glycine 0 N--CA 1.442 -0.91 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.084 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.6 mm -86.51 104.42 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.587 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 78.0 m -99.79 123.08 43.68 Favored 'General case' 0 C--N 1.293 -1.872 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -135.04 155.75 50.22 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 4' ' ' PHE . 28.3 ptt180 -107.51 110.46 22.4 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.778 0.799 . . . . 0.0 111.382 179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -94.88 133.01 39.08 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 -179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.1 m -98.93 129.32 45.25 Favored 'General case' 0 C--N 1.291 -1.957 0 CA-C-O 121.525 0.679 . . . . 0.0 112.638 -171.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? -140.42 -79.32 0.29 Allowed 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.546 -178.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -1.007 0 O-C-N 122.315 -0.24 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 86.9 tttt . . . . . 0 CA--C 1.538 0.5 0 CA-C-O 120.444 0.164 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -82.0 129.28 34.74 Favored 'General case' 0 C--O 1.242 0.706 0 O-C-N 121.75 -0.594 . . . . 0.0 111.027 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.1 m -138.43 149.02 45.07 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.121 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -135.52 159.15 42.49 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.627 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -103.09 127.14 50.47 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -177.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.6 t -115.38 133.62 61.1 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 177.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 73.7 m -109.09 109.06 19.97 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -114.43 99.81 7.85 Favored 'General case' 0 N--CA 1.411 -2.411 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.638 -175.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? 68.88 30.36 4.69 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.226 1.01 . . . . 0.0 110.761 177.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.05 -21.67 43.62 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.012 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.7 mm -84.32 108.2 16.3 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 84.6 m -99.06 116.29 30.94 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -126.69 160.56 30.42 Favored 'General case' 0 N--CA 1.427 -1.617 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.127 -177.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -102.61 129.61 49.24 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.5 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -108.07 129.48 55.14 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 97.7 m -105.87 122.59 46.42 Favored 'General case' 0 C--N 1.287 -2.146 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 176.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -89.6 94.2 9.77 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.259 -174.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.195 0 CA-C-N 116.202 -0.454 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp . . . . . 0 CA--C 1.502 -0.899 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -73.61 114.17 11.55 Favored 'General case' 0 N--CA 1.434 -1.233 0 CA-C-O 121.42 0.628 . . . . 0.0 110.235 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.1 m -132.09 128.63 38.6 Favored 'General case' 0 N--CA 1.423 -1.785 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 177.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -115.64 149.42 38.35 Favored 'General case' 0 C--N 1.284 -2.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.392 -176.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -79.43 117.86 20.79 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.374 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 53.5 t -108.46 122.17 62.58 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.9 m -109.23 109.17 20.04 Favored 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 174.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -114.09 97.75 6.55 Favored 'General case' 0 N--CA 1.411 -2.422 0 CA-C-N 114.801 -1.09 . . . . 0.0 108.591 -175.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 60.24 34.76 20.94 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 123.972 0.909 . . . . 0.0 110.932 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.98 -20.25 48.57 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.605 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.7 mm -82.62 99.86 5.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 74.0 m -99.76 123.95 44.53 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 121.021 0.439 . . . . 0.0 111.033 -179.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -142.65 169.2 18.02 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.214 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.85 111.82 24.51 Favored 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 178.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -97.92 119.8 37.19 Favored 'General case' 0 C--N 1.282 -2.328 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -178.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.1 m -102.98 146.41 28.39 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 177.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -80.36 90.79 5.61 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.054 0 CA-C-N 116.382 -0.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt . . . . . 0 CA--C 1.516 -0.362 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.9 m-90 -77.55 140.12 39.67 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.097 0.475 . . . . 0.0 111.93 -175.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.7 m -133.92 147.15 51.06 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 174.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -124.43 156.63 36.84 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-O 120.612 0.244 . . . . 0.0 110.679 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -98.02 118.96 35.79 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.475 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 54.4 t -100.35 122.82 52.75 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 178.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.7 m -108.88 109.91 21.12 Favored 'General case' 0 C--N 1.279 -2.46 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 176.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -121.1 105.72 10.87 Favored 'General case' 0 N--CA 1.418 -2.064 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -175.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 63.56 33.73 13.13 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.698 0.799 . . . . 0.0 110.828 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.82 -21.73 43.22 Favored Glycine 0 C--O 1.242 0.647 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.293 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.6 mm -86.52 110.04 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.263 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 85.8 m -101.11 124.88 47.51 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.723 -178.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -132.23 158.28 42.19 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.164 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -89.73 135.27 33.72 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -126.15 126.82 44.76 Favored 'General case' 0 C--N 1.283 -2.31 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 175.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.8 m -113.94 131.2 56.4 Favored 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 71.05 84.2 0.14 Allowed 'General case' 0 C--O 1.236 0.388 0 O-C-N 124.346 1.029 . . . . 0.0 110.218 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.073 0 CA-C-N 116.176 -0.466 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt . . . . . 0 CA--C 1.498 -1.027 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -110.13 147.46 33.62 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.316 0.579 . . . . 0.0 112.12 -178.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 71.3 m -129.86 129.28 43.75 Favored 'General case' 0 C--N 1.289 -2.034 0 N-CA-C 106.865 -1.532 . . . . 0.0 106.865 172.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -123.49 145.47 48.82 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.787 -174.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -88.39 119.52 28.89 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 123.595 0.559 . . . . 0.0 110.516 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.6 t -108.22 127.99 64.05 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.04 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 177.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 71.6 m -109.82 119.43 39.33 Favored 'General case' 0 C--N 1.28 -2.453 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 176.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -122.72 100.26 6.82 Favored 'General case' 0 N--CA 1.415 -2.217 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -178.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 66.06 34.25 7.04 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.55 1.14 . . . . 0.0 111.075 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.35 -24.82 30.64 Favored Glycine 0 C--N 1.309 -0.933 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.012 178.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.3 mm -82.33 108.44 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.015 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 73.2 m -99.67 131.78 45.44 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.78 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -143.59 166.24 25.39 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -115.68 145.03 43.11 Favored 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.77 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 3' ' ' CYS . 52.9 mttm -119.53 141.7 48.99 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.72 176.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.4 m -126.46 119.88 28.34 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 175.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -85.01 81.07 9.06 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.173 -177.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.233 0 CA-C-N 116.371 -0.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? . . . . . 0 C--O 1.24 0.563 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -94.68 141.3 28.78 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.047 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.6 m -134.92 130.1 35.33 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -105.82 147.29 28.84 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.002 0.43 . . . . 0.0 111.129 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -87.35 118.78 27.02 Favored 'General case' 0 N--CA 1.434 -1.264 0 CA-C-O 121.176 0.512 . . . . 0.0 110.723 -177.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 42.7 t -109.26 125.32 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.109 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 97.2 m -109.58 109.7 20.55 Favored 'General case' 0 C--N 1.284 -2.258 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 175.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -115.29 103.44 10.82 Favored 'General case' 0 N--CA 1.425 -1.684 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.876 -174.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 61.92 28.15 17.14 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.19 0.996 . . . . 0.0 111.596 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.55 -8.37 58.38 Favored Glycine 0 C--O 1.239 0.447 0 C-N-CA 121.332 -0.461 . . . . 0.0 112.767 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.5 mm -97.97 111.12 27.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 78.5 m -102.13 124.55 47.93 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-O 120.873 0.368 . . . . 0.0 111.282 -177.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -132.37 164.85 25.57 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -111.57 111.1 21.87 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 177.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -90.9 121.87 33.11 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -176.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.2 m -98.7 128.82 45.09 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.138 -178.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -93.12 103.65 15.92 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.283 0.563 . . . . 0.0 112.124 -176.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.177 0 CA-C-N 116.165 -0.47 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 87.0 mttt . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -84.6 109.92 18.33 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-O 121.714 0.769 . . . . 0.0 112.713 -171.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.53 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 76.6 m -119.02 128.78 54.69 Favored 'General case' 0 N--CA 1.423 -1.79 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 176.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -110.58 154.83 23.2 Favored 'General case' 0 C--N 1.287 -2.149 0 CA-C-O 121.294 0.569 . . . . 0.0 112.005 -175.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -89.75 119.14 29.89 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.575 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 49.0 t -110.36 125.68 67.62 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 176.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 72.3 m -108.56 108.97 20.08 Favored 'General case' 0 C--N 1.286 -2.164 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 176.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -116.25 106.21 13.42 Favored 'General case' 0 N--CA 1.418 -2.039 0 CA-C-N 114.583 -1.19 . . . . 0.0 108.194 -175.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 63.78 29.12 14.85 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.674 0.79 . . . . 0.0 112.186 176.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.42 -14.55 59.38 Favored Glycine 0 N--CA 1.444 -0.777 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.377 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.3 mm -95.08 113.08 28.72 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 80.2 m -99.51 116.82 32.54 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.182 0.515 . . . . 0.0 109.969 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -124.16 170.61 10.55 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.208 -178.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -104.94 126.44 52.02 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -122.19 126.43 48.24 Favored 'General case' 0 C--N 1.288 -2.069 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 177.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.53 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 68.5 m -100.08 126.97 46.37 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -174.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 176.19 90.74 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.25 0 C-N-CA 125.529 1.531 . . . . 0.0 108.496 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.298 0 CA-C-N 116.515 -0.311 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt . . . . . 0 C--O 1.223 -0.316 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.8 m-90 -91.55 116.73 29.11 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 122.099 0.159 . . . . 0.0 111.183 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 69.8 m -130.93 151.92 50.81 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 177.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -139.55 155.99 47.16 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 120.738 0.304 . . . . 0.0 111.284 175.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -91.77 130.42 37.55 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.326 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.0 t -123.73 127.43 73.87 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.261 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 174.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 72.3 m -109.38 116.48 31.93 Favored 'General case' 0 C--N 1.292 -1.892 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 176.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -124.29 103.11 8.04 Favored 'General case' 0 N--CA 1.422 -1.87 0 CA-C-N 115.005 -0.998 . . . . 0.0 108.567 -176.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 67.04 25.35 9.24 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.167 0.987 . . . . 0.0 110.984 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.93 -10.3 62.08 Favored Glycine 0 C--N 1.311 -0.847 0 C-N-CA 121.07 -0.586 . . . . 0.0 111.666 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.8 mm -88.32 104.35 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.5 m -99.35 112.62 24.77 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.515 0.674 . . . . 0.0 110.003 -179.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -126.58 167.45 15.64 Favored 'General case' 0 C--N 1.287 -2.152 0 CA-C-N 115.105 -0.952 . . . . 0.0 108.869 -177.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -111.39 142.47 43.6 Favored 'General case' 0 C--N 1.288 -2.102 0 CA-C-O 121.224 0.535 . . . . 0.0 110.538 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -114.74 117.42 30.74 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 174.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 86.7 m -99.88 134.8 42.25 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.085 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 44.4 mtt-85 -85.15 -82.46 0.18 Allowed 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.297 -176.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.467 0 O-C-N 122.225 -0.297 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 61.5 pttt . . . . . 0 N--CA 1.47 0.571 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 6.1 p90 -92.12 150.98 20.64 Favored 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.622 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.0 m -129.38 146.0 51.31 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -134.62 156.83 48.04 Favored 'General case' 0 C--N 1.29 -2.016 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -109.19 120.29 42.07 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 120.884 0.373 . . . . 0.0 110.01 -176.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 59.9 t -104.76 134.72 45.38 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -178.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 75.7 m -108.97 108.3 18.98 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 175.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -119.21 109.99 16.5 Favored 'General case' 0 N--CA 1.418 -2.043 0 CA-C-N 114.654 -1.157 . . . . 0.0 108.028 -173.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.5 mtm180 63.16 31.76 15.51 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.812 0.845 . . . . 0.0 110.842 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.46 -23.52 33.39 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.091 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.7 mm -84.71 114.61 25.27 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 67.7 m -99.45 124.56 44.71 Favored 'General case' 0 C--N 1.289 -2.025 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -134.83 151.67 51.12 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.364 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -95.82 128.38 42.66 Favored 'General case' 0 C--N 1.288 -2.094 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.786 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -99.18 127.23 45.12 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 175.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.2 m -136.87 138.56 40.86 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 177.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -160.93 91.1 0.87 Allowed 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.603 0 CA-C-N 116.055 -0.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 67.9 mttm . . . . . 0 C--O 1.239 0.502 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 17.9 p-90 -70.64 145.63 50.53 Favored 'General case' 0 C--O 1.254 1.325 0 CA-C-O 121.706 0.765 . . . . 0.0 112.804 -178.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 62.8 m -126.31 151.55 47.38 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.616 178.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -134.01 160.46 37.68 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -112.45 126.13 54.97 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 120.741 0.305 . . . . 0.0 110.31 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 61.9 t -108.76 131.79 58.47 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.228 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 89.0 m -109.83 109.13 19.69 Favored 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 174.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -117.13 101.58 8.59 Favored 'General case' 0 N--CA 1.414 -2.247 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.031 -175.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 64.58 28.44 13.29 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.21 1.004 . . . . 0.0 110.72 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.67 -12.74 59.57 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.159 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.6 mm -87.15 103.69 13.5 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.224 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 71.7 m -99.85 116.79 32.74 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -130.07 160.23 34.34 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.858 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -99.04 133.55 43.15 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -128.78 123.82 33.89 Favored 'General case' 0 C--N 1.285 -2.22 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.0 m -103.87 141.69 35.7 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.271 -178.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -116.15 -87.35 0.6 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.033 175.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.101 0 CA-C-N 116.197 -0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.423 ' HE2' ' SG ' ' A' ' 3' ' ' CYS . 26.2 pttm . . . . . 0 CA--C 1.513 -0.451 0 N-CA-C 107.74 -1.208 . . . . 0.0 107.74 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 33.6 t90 -108.32 117.49 34.3 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 121.266 0.555 . . . . 0.0 110.189 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 84.8 m -120.27 129.75 54.18 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-N 115.113 -0.948 . . . . 0.0 109.732 -179.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -119.22 159.49 23.95 Favored 'General case' 0 C--N 1.285 -2.196 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 178.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -105.35 129.83 53.6 Favored 'General case' 0 C--N 1.287 -2.11 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.525 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 59.6 t -107.27 125.44 63.48 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.429 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 87.4 m -108.95 109.1 20.08 Favored 'General case' 0 C--N 1.279 -2.466 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 171.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -115.58 101.05 8.51 Favored 'General case' 0 N--CA 1.411 -2.376 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 -175.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 65.06 26.33 12.57 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.482 0.713 . . . . 0.0 111.228 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.29 -13.01 60.22 Favored Glycine 0 N--CA 1.439 -1.125 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.732 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.1 mm -86.94 102.74 12.5 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 178.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 80.8 m -99.25 116.62 31.87 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 120.97 0.414 . . . . 0.0 110.908 -178.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.5 p90 -132.67 161.16 34.68 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.674 -179.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -94.52 122.95 37.63 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -118.33 121.56 40.69 Favored 'General case' 0 C--N 1.287 -2.137 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 61.8 m -104.85 132.74 50.72 Favored 'General case' 0 C--N 1.291 -1.938 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -179.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -140.08 -83.91 0.24 Allowed 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -177.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.901 0 O-C-N 122.129 -0.357 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp . . . . . 0 N--CA 1.448 -0.566 0 CA-C-O 120.416 0.15 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 13.1 m-90 -111.03 143.3 41.95 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-O 121.124 0.488 . . . . 0.0 111.852 -178.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.7 m -109.44 132.97 53.63 Favored 'General case' 0 C--N 1.293 -1.878 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.956 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -114.14 151.44 32.65 Favored 'General case' 0 C--N 1.291 -1.939 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.858 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -105.7 122.76 46.73 Favored 'General case' 0 N--CA 1.421 -1.922 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 58.3 t -100.15 129.47 50.81 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.997 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 179.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 88.1 m -108.81 109.8 21.01 Favored 'General case' 0 C--N 1.284 -2.241 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 177.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -129.16 124.79 35.56 Favored 'General case' 0 N--CA 1.418 -2.046 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 -177.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 53.51 27.89 7.08 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 125.355 1.462 . . . . 0.0 113.731 178.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.68 -11.93 64.58 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.775 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.4 mm -97.1 109.58 23.45 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.286 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 78.7 m -99.71 118.74 36.86 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.282 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -128.1 168.11 15.82 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.093 -177.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -110.9 130.32 55.62 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -175.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -115.16 140.52 49.01 Favored 'General case' 0 C--O 1.244 0.771 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 174.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.7 m -135.43 143.31 45.87 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 120.805 0.336 . . . . 0.0 111.299 -175.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -126.7 92.93 3.65 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.783 177.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 CA-C-N 116.468 -0.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.0 pttp . . . . . 0 C--O 1.24 0.57 0 CA-C-O 120.869 0.366 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -107.61 109.31 20.91 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-O 121.572 0.701 . . . . 0.0 109.384 177.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.5 m -133.86 142.64 47.89 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-N 114.845 -1.071 . . . . 0.0 108.24 -176.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -115.27 145.7 42.2 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 177.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -89.63 122.6 32.91 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -176.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 47.1 t -113.16 132.06 63.07 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.038 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.9 m -110.02 109.9 20.64 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -123.84 120.56 32.96 Favored 'General case' 0 N--CA 1.423 -1.814 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 -178.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 55.27 24.87 6.81 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 125.715 1.606 . . . . 0.0 113.429 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.46 -3.41 59.53 Favored Glycine 0 C--N 1.313 -0.714 0 N-CA-C 111.899 -0.481 . . . . 0.0 111.899 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.5 mm -103.6 108.35 24.31 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 68.4 m -99.85 127.09 46.04 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -133.6 164.53 26.97 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.117 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -101.53 104.3 15.2 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 177.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -86.64 115.23 23.96 Favored 'General case' 0 N--CA 1.422 -1.832 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 74.0 m -99.51 149.47 23.2 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.459 -176.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -96.09 -79.72 0.44 Allowed 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.893 -178.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -1.011 0 O-C-N 122.15 -0.344 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? . . . . . 0 C--O 1.236 0.347 0 CA-C-O 121.777 0.798 . . . . 0.0 111.908 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -104.18 140.99 37.03 Favored 'General case' 0 C--O 1.25 1.08 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.203 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.4 m -117.85 129.97 55.98 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.807 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -128.08 151.51 49.1 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.889 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -84.76 131.04 34.6 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 120.829 0.347 . . . . 0.0 110.114 178.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.5 t -119.49 129.29 75.5 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.67 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 177.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.2 m -108.72 109.46 20.63 Favored 'General case' 0 C--N 1.277 -2.554 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 174.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -110.12 101.79 10.55 Favored 'General case' 0 N--CA 1.412 -2.363 0 CA-C-N 114.376 -1.283 . . . . 0.0 108.205 -175.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 63.33 31.0 15.53 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 124.1 0.96 . . . . 0.0 111.397 177.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.44 -9.91 59.27 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.813 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.2 mm -96.42 112.13 27.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.9 m -100.03 124.66 45.64 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.207 0.527 . . . . 0.0 111.317 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -143.98 167.12 23.12 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.836 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -90.77 136.55 33.0 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 174.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -125.36 123.05 38.52 Favored 'General case' 0 C--N 1.273 -2.755 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 176.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.6 m -106.37 138.8 41.9 Favored 'General case' 0 C--N 1.287 -2.114 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -178.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 69.93 -89.69 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.852 0.861 . . . . 0.0 111.587 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.098 0 O-C-N 121.969 -0.457 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_