data_1hvz_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1hvz _Structure_validation_residue.Date_analyzed 2017-03-24 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.768 0 N-CA-C 112.092 -0.403 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -161.14 128.82 4.23 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 117.07 0.435 . . . . 0.0 110.817 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.6 m -125.25 89.38 3.04 Favored 'General case' 0 C--O 1.235 0.298 0 O-C-N 121.847 -0.533 . . . . 0.0 110.162 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.45 -167.67 2.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.174 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 4.4 m -86.44 96.21 9.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.27 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -76.46 85.36 3.19 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.5 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.7 m -90.54 117.36 29.16 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.427 0.632 . . . . 0.0 111.459 -178.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.26 151.35 26.07 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.53 79.33 0.02 OUTLIER 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.195 0.521 . . . . 0.0 111.552 -178.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.39 -24.54 2.79 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.502 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.59 127.34 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 117.015 0.407 . . . . 0.0 111.22 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 12.6 m -106.77 125.42 50.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.466 ' NE ' ' HA ' ' A' ' 13' ' ' ARG . 5.7 mmp_? -128.47 100.56 5.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.946 0.403 . . . . 0.0 111.974 -178.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 20.1 m -91.69 96.93 10.71 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -136.76 -172.68 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.069 0.462 . . . . 0.0 111.322 -178.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.67 112.8 24.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.904 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.12 140.9 48.68 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 18' ' ' ARG . 8.3 ptt-85 . . . . . 0 C--N 1.333 -0.146 0 CA-C-O 121.012 0.434 . . . . 0.0 110.868 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 17' ' ' THR . . . . . . . . 0 N--CA 1.443 -0.868 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -174.91 156.37 2.21 Favored 'General case' 0 C--N 1.342 0.27 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.6 m -119.68 120.36 36.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.224 -0.288 . . . . 0.0 110.224 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.99 164.47 18.3 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -83.41 88.24 6.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.173 179.367 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.0 tp -106.65 69.01 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.114 0.483 . . . . 0.0 110.406 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.526 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.7 m -73.65 120.44 19.26 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.522 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.9 148.24 26.39 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -60.82 79.6 0.01 OUTLIER 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.556 0.535 . . . . 0.0 111.168 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.51 -21.78 4.0 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.056 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.04 95.4 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-O 120.928 0.394 . . . . 0.0 111.166 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.526 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.7 OUTLIER -74.31 118.68 17.54 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.191 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 13' ' ' ARG . 4.9 mmp_? -121.35 79.48 1.54 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.932 0.396 . . . . 0.0 111.023 -178.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 77.7 m -110.16 58.55 0.61 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.263 0.554 . . . . 0.0 109.869 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.41 ' HB ' ' H ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -132.96 -166.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.34 -179.699 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.41 ' H ' ' HB ' ' A' ' 15' ' ' ILE . 1.2 m -95.62 101.82 13.56 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.054 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -83.13 147.48 28.05 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.182 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.294 0 CA-C-O 121.113 0.482 . . . . 0.0 111.127 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.772 0 N-CA-C 111.892 -0.483 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -174.02 154.42 2.3 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.671 0.235 . . . . 0.0 110.797 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 95.5 m -126.45 140.85 52.15 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.7 162.48 41.11 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.978 0.418 . . . . 0.0 111.451 -179.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.75 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 15.9 t -130.92 95.01 3.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.697 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.7 tp -100.96 82.86 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.406 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.712 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.7 m -71.76 120.95 18.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.326 0.584 . . . . 0.0 111.243 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.68 152.22 27.96 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.77 78.36 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.002 0.429 . . . . 0.0 111.834 -178.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.81 -27.43 3.06 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.25 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.82 115.79 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 CA-C-O 120.933 0.397 . . . . 0.0 111.22 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.712 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 6.6 m -88.57 114.05 24.78 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.94 64.64 4.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.174 0.512 . . . . 0.0 110.941 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.75 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 4.0 m -109.01 104.36 13.56 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.878 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -151.03 172.44 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.639 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -110.22 138.12 47.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.757 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.79 142.66 50.65 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.505 ' HG3' ' H ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.219 0 CA-C-O 120.967 0.413 . . . . 0.0 110.841 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.822 0 N-CA-C 112.386 -0.286 . . . . 0.0 112.386 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -166.03 133.55 2.81 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 117.274 0.537 . . . . 0.0 110.657 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.0 m -107.46 137.26 45.82 Favored 'General case' 0 N--CA 1.457 -0.105 0 O-C-N 121.693 -0.629 . . . . 0.0 110.095 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.431 ' O ' HG13 ' A' ' 15' ' ' ILE . 1.4 mtt180 -125.84 144.7 50.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.347 . . . . 0.0 110.938 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.3 m -118.43 66.83 0.76 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.959 0.409 . . . . 0.0 110.631 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.466 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -99.92 -8.93 23.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.821 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m 69.83 146.59 0.06 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 122.002 0.906 . . . . 0.0 112.795 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.26 151.3 37.22 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.44 ' HD3' ' HA ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -63.76 80.62 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.241 0.543 . . . . 0.0 111.233 -178.884 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.27 -17.53 7.02 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.379 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 t -125.58 84.78 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 120.936 0.398 . . . . 0.0 110.296 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.82 55.37 1.36 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.197 0.522 . . . . 0.0 110.296 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -129.14 28.03 5.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.032 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 70.4 m 65.52 174.42 0.22 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.053 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -135.95 116.61 18.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.509 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m -101.61 113.68 27.04 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.861 0.363 . . . . 0.0 110.899 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.33 142.67 33.17 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 18' ' ' ARG . 5.4 mtt180 . . . . . 0 C--N 1.332 -0.179 0 CA-C-O 120.735 0.302 . . . . 0.0 111.219 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.647 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.434 ' CE2' ' HG2' ' A' ' 4' ' ' ARG . 4.0 p90 -178.26 135.51 0.16 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.631 ' HB3' ' HA ' ' A' ' 16' ' ' CYS . 1.2 m -89.73 114.32 25.98 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 119.02 0.827 . . . . 0.0 110.916 -178.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.434 ' HG2' ' CE2' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -121.87 141.22 51.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.642 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.51 129.21 36.03 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.16 133.19 14.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.074 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -130.62 126.94 37.92 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.936 0.398 . . . . 0.0 110.619 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.452 ' HB3' HG22 ' A' ' 11' ' ' VAL . 2.8 ttp180 -99.12 150.48 21.98 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.78 79.09 0.02 OUTLIER 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.078 0.466 . . . . 0.0 111.539 -178.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.08 -15.9 5.56 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.476 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.452 HG22 ' HB3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -146.17 104.96 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-O 120.966 0.412 . . . . 0.0 111.151 179.605 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m -83.93 136.84 33.92 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' HD2' ' HA ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -131.37 43.22 3.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.003 0.43 . . . . 0.0 111.11 -179.335 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -79.39 91.83 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.392 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -159.14 170.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.714 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.631 ' HA ' ' HB3' ' A' ' 3' ' ' CYS . 13.9 t -76.86 136.33 38.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.871 0.367 . . . . 0.0 110.696 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.06 143.92 41.01 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? . . . . . 0 C--N 1.333 -0.123 0 CA-C-O 121.013 0.435 . . . . 0.0 111.182 -178.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.52 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -159.94 130.1 5.48 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 m -133.72 141.11 47.4 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 122.074 -0.391 . . . . 0.0 110.2 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.517 ' HA ' ' NH1' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -122.44 -64.57 1.18 Allowed 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 121.041 -0.264 . . . . 0.0 111.49 -179.668 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 1.046 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 4.2 m 56.59 68.88 0.8 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.426 0.631 . . . . 0.0 111.344 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.79 98.92 8.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.345 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.842 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 59.6 m -84.42 114.18 21.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.128 0.489 . . . . 0.0 111.094 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.87 158.15 16.46 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -67.61 80.93 0.17 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.216 0.531 . . . . 0.0 110.577 -179.082 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 137.54 -29.17 2.7 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.268 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.74 121.58 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.933 0.367 . . . . 0.0 110.349 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.842 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 35.1 t -100.27 126.72 46.62 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.02 0.438 . . . . 0.0 110.605 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.79 79.33 1.64 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.923 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.046 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -79.69 68.34 5.72 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.238 0.542 . . . . 0.0 111.021 -179.464 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 mt -74.28 93.18 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.179 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.58 118.36 31.46 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.13 0.491 . . . . 0.0 110.138 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.23 143.88 48.09 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.53 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.292 0 CA-C-O 121.048 0.451 . . . . 0.0 110.473 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.809 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -162.51 131.96 4.38 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 28.1 m -108.53 92.34 4.02 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 121.719 -0.613 . . . . 0.0 110.786 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -104.6 143.5 32.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.284 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.953 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 35.7 m -96.81 121.87 39.14 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.079 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.408 ' HB3' HH22 ' A' ' 8' ' ' ARG . 0.2 OUTLIER -101.27 106.86 18.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.019 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.728 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 61.2 m -82.1 114.65 20.78 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.313 -179.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.495 HH11 ' HB2' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -87.25 157.34 19.34 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 178.338 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.438 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -65.13 78.77 0.05 Allowed 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.114 0.483 . . . . 0.0 111.026 -178.709 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 137.18 -30.17 2.65 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.392 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.1 124.92 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 117.372 0.586 . . . . 0.0 111.58 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.728 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 34.7 t -101.15 136.61 40.72 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.04 136.91 17.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.714 0.292 . . . . 0.0 110.788 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.953 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 2.6 m -84.45 132.2 34.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.216 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -76.41 -37.95 31.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.882 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER 58.05 74.48 0.43 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.994 -179.808 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.38 148.36 26.65 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 121.3 0.572 . . . . 0.0 110.161 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.69 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -178.24 146.01 0.37 Allowed 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 66.4 m -103.37 117.99 35.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.197 0.522 . . . . 0.0 110.63 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.6 ' HB2' ' HB ' ' A' ' 15' ' ' ILE . 2.0 mpt_? -88.0 84.97 6.92 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.563 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.2 m -82.57 61.02 5.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.287 0.565 . . . . 0.0 111.076 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.483 ' HB2' HH21 ' A' ' 8' ' ' ARG . 5.1 mt -101.45 91.22 4.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.933 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 m -65.75 146.56 54.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.607 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.595 ' HB2' HG23 ' A' ' 11' ' ' VAL . 1.6 mmt180 -109.66 140.18 43.8 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -60.01 79.98 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.222 0.534 . . . . 0.0 111.278 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.26 -23.45 2.39 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.88 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.595 HG23 ' HB2' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -143.18 116.2 3.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 120.953 0.406 . . . . 0.0 110.469 179.199 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.33 109.05 20.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.965 0.412 . . . . 0.0 110.463 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.93 125.17 11.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.35 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.0 m -82.8 118.96 23.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.334 -0.394 . . . . 0.0 109.989 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.6 ' HB ' ' HB2' ' A' ' 4' ' ' ARG . 3.6 mt -79.76 73.43 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.075 0.464 . . . . 0.0 110.382 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 1.2 m -72.09 111.15 7.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.122 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.27 142.51 49.0 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.267 0 CA-C-O 121.256 0.55 . . . . 0.0 110.875 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.591 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -148.89 122.28 9.05 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -139.93 144.53 37.14 Favored 'General case' 0 CA--C 1.52 -0.193 0 O-C-N 121.728 -0.608 . . . . 0.0 110.594 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.1 -24.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.36 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.0 m 58.5 35.69 24.8 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.151 0.5 . . . . 0.0 110.94 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 6' ' ' LEU . 6.2 tp -80.24 117.65 21.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 m -87.16 149.63 24.51 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.59 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.42 ' HB3' HG23 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -131.6 158.85 39.94 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.825 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.42 78.51 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.376 0.607 . . . . 0.0 111.494 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.91 -20.15 2.52 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.79 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.42 HG23 ' HB3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -136.29 103.6 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.917 0.389 . . . . 0.0 110.516 179.45 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.8 t -136.61 100.25 4.29 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.338 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.11 26.7 0.14 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 58.61 81.49 0.16 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.18 0.514 . . . . 0.0 110.966 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.5 mm -70.85 121.4 20.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.854 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.74 123.39 14.13 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.73 145.4 45.57 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 121.252 0.548 . . . . 0.0 110.231 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.695 0 N-CA-C 111.888 -0.485 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -167.98 152.04 6.24 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.714 0.257 . . . . 0.0 110.787 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 69.8 m -132.8 142.66 49.1 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -158.64 162.15 37.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.938 0.399 . . . . 0.0 110.97 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.704 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 4.4 t -105.43 135.19 47.26 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.164 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.27 55.33 0.71 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.062 0.458 . . . . 0.0 109.929 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.3 m -53.05 128.74 28.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.569 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.18 150.35 25.94 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -61.36 78.21 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 121.111 0.482 . . . . 0.0 111.749 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.59 -22.7 3.48 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.227 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.96 111.58 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.972 0.415 . . . . 0.0 111.04 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.1 m -86.77 138.78 31.32 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.9 123.09 3.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.871 0.367 . . . . 0.0 110.793 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.704 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 2.8 m -108.2 150.77 26.82 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -132.04 162.56 39.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.709 0.29 . . . . 0.0 110.947 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -128.07 143.78 51.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.953 0.406 . . . . 0.0 110.384 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.2 144.74 43.01 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 . . . . . 0 CA--C 1.53 0.192 0 CA-C-O 120.793 0.33 . . . . 0.0 110.586 -179.661 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.844 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -152.76 119.79 5.81 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.406 ' O ' ' HD3' ' A' ' 4' ' ' ARG . 77.7 m -131.95 134.82 46.07 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.174 0.443 . . . . 0.0 110.053 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -160.68 139.53 10.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.4 -179.7 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.75 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 1.3 m -81.29 62.12 5.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.265 0.555 . . . . 0.0 110.227 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.25 167.71 16.49 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.871 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -89.77 122.41 32.83 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.257 0.551 . . . . 0.0 111.393 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.559 ' HE ' HG12 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -111.41 157.13 20.61 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.551 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.62 77.69 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.223 0.535 . . . . 0.0 111.808 -178.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.58 -16.89 3.77 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.317 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.556 HG23 ' HB3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -139.49 107.44 3.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.899 0.381 . . . . 0.0 111.063 179.672 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.98 52.32 0.73 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.011 0.434 . . . . 0.0 110.445 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.97 61.97 0.41 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.122 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.75 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 56.8 m 56.55 82.83 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.785 179.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.559 HG12 ' HE ' ' A' ' 8' ' ' ARG . 0.9 OUTLIER -65.61 120.99 13.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.309 179.434 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.1 t -123.11 86.61 2.61 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.114 0.483 . . . . 0.0 110.281 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.82 145.24 24.93 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.478 ' HD3' ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.333 -0.136 0 CA-C-O 121.384 0.611 . . . . 0.0 110.336 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.667 0 N-CA-C 111.705 -0.558 . . . . 0.0 111.705 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -174.37 153.77 2.0 Allowed 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.1 m -111.33 133.64 53.5 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.18 125.82 39.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.072 0.463 . . . . 0.0 111.506 -178.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 67.0 m -86.82 63.48 7.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.14 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.49 161.46 37.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.108 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.6 m -64.4 140.72 58.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.382 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.588 ' HB3' HG22 ' A' ' 11' ' ' VAL . 14.4 ttt180 -121.95 154.59 36.98 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -65.87 77.95 0.08 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.629 0.728 . . . . 0.0 111.763 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.05 -15.26 4.55 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.07 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.588 HG22 ' HB3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -146.47 104.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.005 0.431 . . . . 0.0 110.552 179.436 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -91.1 71.8 6.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.24 0.543 . . . . 0.0 110.231 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -163.6 155.5 17.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.538 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 38.2 t -59.91 117.89 5.58 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.422 ' H ' HG13 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -122.76 164.82 19.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.101 -179.141 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m -112.97 124.64 53.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.19 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.89 145.93 34.56 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 . . . . . 0 N--CA 1.464 0.231 0 CA-C-O 120.735 0.303 . . . . 0.0 111.141 -179.206 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -177.43 146.61 0.48 Allowed 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.1 m -110.01 117.81 34.75 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.1 0.476 . . . . 0.0 110.621 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.88 77.92 6.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.875 -179.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -98.47 -9.14 25.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.386 0.612 . . . . 0.0 110.032 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.14 85.8 7.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 71.0 m -51.71 107.8 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 122.012 0.911 . . . . 0.0 112.816 -177.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -107.36 153.8 22.24 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.376 -1.283 . . . . 0.0 108.336 179.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.04 81.1 0.08 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.291 0.567 . . . . 0.0 110.772 -178.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.18 -21.86 2.44 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.619 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.46 105.09 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-O 120.91 0.386 . . . . 0.0 110.674 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 7' ' ' CYS . 2.5 t -160.98 125.91 3.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.037 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.67 -16.21 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.295 0.372 . . . . 0.0 111.871 179.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.8 m 54.86 36.92 27.69 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.97 0.414 . . . . 0.0 110.978 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 1.1 tp -74.35 -22.5 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.875 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 1.1 m 72.13 146.68 0.08 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.205 0.526 . . . . 0.0 111.191 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.26 142.94 29.94 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.374 0 O-C-N 123.196 0.31 . . . . 0.0 111.26 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.649 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -168.38 146.33 4.18 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.2 m -124.65 126.14 45.25 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 122.123 -0.36 . . . . 0.0 110.075 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 4' ' ' ARG . 19.5 mtt180 -130.06 133.51 46.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.289 -179.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 59.7 m -92.79 100.91 13.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.934 0.397 . . . . 0.0 110.326 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pp -146.19 166.45 26.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.786 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.6 m -91.44 117.68 29.9 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.162 0.506 . . . . 0.0 110.9 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.06 154.17 17.9 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -63.18 79.76 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.079 0.466 . . . . 0.0 111.185 -179.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.79 -18.0 6.75 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.925 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.8 t -133.14 91.86 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.716 0.293 . . . . 0.0 110.568 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.6 OUTLIER -84.82 65.5 9.18 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.16 0.505 . . . . 0.0 110.026 179.509 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.7 ttp85 -168.16 157.03 9.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.533 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.82 94.41 0.13 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 123.205 0.316 . . . . 0.0 110.541 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.497 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 0.3 OUTLIER -60.32 -36.76 70.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.128 -179.256 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 1.2 m 76.92 143.96 0.08 Allowed 'General case' 0 N--CA 1.465 0.29 0 O-C-N 124.2 0.937 . . . . 0.0 111.217 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.78 143.75 47.27 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 121.006 0.431 . . . . 0.0 110.768 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 111.976 -0.45 . . . . 0.0 111.976 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -154.86 124.38 6.47 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.09 127.53 48.86 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 121.9 -0.5 . . . . 0.0 110.727 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -131.22 58.54 1.71 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.486 -179.777 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 22.5 m -80.08 59.49 3.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.804 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.1 mt -85.14 80.72 9.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.835 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 m -66.99 117.15 8.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.093 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -92.64 157.75 16.32 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 178.166 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -67.41 80.07 0.16 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.264 0.554 . . . . 0.0 110.706 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 127.72 -18.27 6.0 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.648 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.5 t -126.89 87.24 1.1 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.272 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.79 74.64 7.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.293 0.568 . . . . 0.0 110.797 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.5 ' H ' ' HG3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -88.47 90.81 8.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.233 179.701 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 0.1 OUTLIER -82.91 80.22 9.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.545 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 mt -80.28 74.11 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 108.39 19.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.178 0.513 . . . . 0.0 110.391 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.6 143.35 47.7 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.38 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.431 ' H ' ' HG3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.246 0 CA-C-O 120.979 0.419 . . . . 0.0 110.925 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.581 0 N-CA-C 111.59 -0.604 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -171.08 142.65 1.83 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.484 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . 56.3 m -122.62 121.09 35.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.027 0.442 . . . . 0.0 110.629 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.629 ' HB2' ' HB ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -96.04 72.13 2.93 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.286 -179.855 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 1.8 m -107.56 44.79 1.05 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.15 0.5 . . . . 0.0 110.701 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mt -91.83 -3.19 56.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 m 68.93 152.78 0.1 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.465 0.65 . . . . 0.0 111.953 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.2 147.87 47.7 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.44 78.94 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.514 0.509 . . . . 0.0 111.807 -178.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.89 -22.13 3.48 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.961 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.17 106.43 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.053 0.454 . . . . 0.0 110.727 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -93.55 86.12 5.11 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.407 0.622 . . . . 0.0 110.186 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.39 128.17 40.83 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.256 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 0.6 OUTLIER -85.08 109.07 17.98 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.008 0.432 . . . . 0.0 109.937 179.744 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.629 ' HB ' ' HB2' ' A' ' 4' ' ' ARG . 3.3 mt -84.46 75.84 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.143 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.25 138.6 37.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.934 0.397 . . . . 0.0 110.874 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.72 144.53 27.15 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.276 0 CA-C-O 120.921 0.391 . . . . 0.0 111.175 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.939 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -170.3 156.84 5.89 Favored 'General case' 0 C--N 1.341 0.218 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.7 m -115.03 87.92 2.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.491 0.662 . . . . 0.0 110.618 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.445 ' HD3' ' HA ' ' A' ' 4' ' ' ARG . 0.9 OUTLIER -98.26 76.23 2.31 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.687 179.534 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 78.3 m -77.7 81.91 4.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.268 -179.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.676 ' HG ' ' HB2' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -81.37 104.38 11.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.249 0.547 . . . . 0.0 109.708 179.54 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.8 m -90.63 113.95 26.11 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.479 0.657 . . . . 0.0 111.37 -179.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -97.39 153.28 18.19 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.81 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.525 ' HD3' ' HA ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -66.23 79.72 0.09 Allowed 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 121.179 0.514 . . . . 0.0 110.99 -178.674 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.98 -21.75 3.5 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.204 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.09 115.23 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.92 0.39 . . . . 0.0 111.235 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 1.3 m -98.45 112.39 24.42 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.858 0.361 . . . . 0.0 110.292 179.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.676 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -89.6 71.43 7.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.945 0.402 . . . . 0.0 110.997 -179.609 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.2 t -118.73 92.6 3.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.299 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.96 -15.35 3.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.46 -179.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 m 63.93 100.81 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.397 0.617 . . . . 0.0 111.084 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.45 149.2 27.74 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? . . . . . 0 CA--C 1.526 0.044 0 CA-C-O 121.322 0.582 . . . . 0.0 110.256 -179.57 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.633 0 N-CA-C 112.297 -0.321 . . . . 0.0 112.297 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -161.16 140.53 10.38 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.864 0.332 . . . . 0.0 111.067 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.8 m -132.46 145.16 50.98 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.39 124.41 10.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.984 0.421 . . . . 0.0 111.487 -179.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.545 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -99.88 87.35 3.49 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.843 179.102 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.4 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 1.1 mt -82.43 71.17 9.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.11 0.481 . . . . 0.0 110.421 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 2.0 m -82.79 115.69 21.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.5 0.667 . . . . 0.0 111.181 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -105.87 154.49 20.47 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -64.32 79.4 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.99 0.424 . . . . 0.0 111.147 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.56 -26.81 3.02 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.328 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.07 114.58 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 116.994 0.397 . . . . 0.0 111.259 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 1.3 m -92.69 104.76 17.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.067 0.46 . . . . 0.0 110.299 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.5 ' HD2' ' HA ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -96.61 66.5 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.291 0.567 . . . . 0.0 110.789 -179.736 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.545 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 59.1 m -83.42 126.74 33.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.05 179.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -129.81 158.21 42.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.412 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.66 126.2 12.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.069 0.462 . . . . 0.0 110.289 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.67 143.53 50.36 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.352 0 CA-C-O 120.916 0.388 . . . . 0.0 111.005 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.602 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -172.95 139.64 0.86 Allowed 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 52.4 m -109.7 117.58 34.27 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.168 0.509 . . . . 0.0 110.37 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.739 ' HB2' ' HB ' ' A' ' 15' ' ' ILE . 5.0 mpt_? -90.58 73.94 6.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.384 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 8.8 m -85.59 56.4 3.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.456 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -75.72 -48.19 22.96 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.525 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 1.7 m 71.65 149.18 0.09 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.455 179.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.47 ' HB3' HG21 ' A' ' 11' ' ' VAL . 3.8 tmm_? -131.85 154.84 48.76 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.279 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -65.26 82.34 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.247 0.546 . . . . 0.0 110.372 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.22 -18.85 2.49 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.201 -0.908 . . . . 0.0 111.798 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.47 HG21 ' HB3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -142.84 107.08 1.32 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 120.809 0.338 . . . . 0.0 110.36 179.298 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -130.24 89.98 2.87 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.07 0.462 . . . . 0.0 110.796 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.64 -8.56 1.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.745 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 11.3 t 68.02 131.11 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.775 0.672 . . . . 0.0 111.836 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.739 ' HB ' ' HB2' ' A' ' 4' ' ' ARG . 6.3 mt -84.97 72.43 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.567 178.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 0.7 OUTLIER -74.88 117.63 16.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.47 -179.33 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.2 143.41 51.15 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.893 0.378 . . . . 0.0 110.564 -179.697 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.625 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -172.37 148.48 2.08 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.0 m -111.23 116.16 30.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.095 0.474 . . . . 0.0 110.767 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.422 ' HD2' ' HA ' ' A' ' 4' ' ' ARG . 9.9 tpt180 -92.7 83.28 4.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.14 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.881 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 16.4 m -84.79 111.89 20.02 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.036 0.446 . . . . 0.0 111.132 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.2 mt -103.02 101.39 11.37 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 m -104.43 140.85 37.33 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.41 0.624 . . . . 0.0 111.68 -179.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.492 ' HD3' ' HA ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -135.08 156.41 49.07 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 179.621 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.9 mmp_? -67.33 79.3 0.15 Allowed 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.187 0.518 . . . . 0.0 111.451 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.46 -26.11 2.43 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.129 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.24 130.37 24.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 O-C-N 122.706 -0.291 . . . . 0.0 110.841 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -123.98 109.13 13.16 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -123.74 106.94 10.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.933 0.397 . . . . 0.0 110.986 -179.334 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.881 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 40.7 t -100.56 139.43 36.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.943 0.401 . . . . 0.0 110.646 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.3 mt -110.12 87.55 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.733 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -78.35 105.7 9.78 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.062 0.458 . . . . 0.0 110.563 -179.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.87 146.13 31.34 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.3 mtm-85 . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 120.889 0.376 . . . . 0.0 110.814 -179.528 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.768 0 N-CA-C 112.092 -0.403 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -161.14 128.82 4.23 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 117.07 0.435 . . . . 0.0 110.817 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.6 m -125.25 89.38 3.04 Favored 'General case' 0 C--O 1.235 0.298 0 O-C-N 121.847 -0.533 . . . . 0.0 110.162 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.45 -167.67 2.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.174 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.565 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 4.4 m -86.44 96.21 9.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.27 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.46 85.36 3.19 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.544 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.7 m -90.54 117.36 29.16 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.427 0.632 . . . . 0.0 111.459 -178.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.26 151.35 26.07 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.53 79.33 0.02 OUTLIER 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.195 0.521 . . . . 0.0 111.552 -178.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.39 -24.54 2.79 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.502 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.59 127.34 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 117.015 0.407 . . . . 0.0 111.22 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.544 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 12.6 m -106.77 125.42 50.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.46 ' NE ' ' HA ' ' A' ' 13' ' ' ARG . 5.7 mmp_? -128.47 100.56 5.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.946 0.403 . . . . 0.0 111.974 -178.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.565 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 20.1 m -91.69 96.93 10.71 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -136.76 -172.68 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.069 0.462 . . . . 0.0 111.322 -178.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.67 112.8 24.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.904 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.12 140.9 48.68 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.459 ' HG2' ' H ' ' A' ' 18' ' ' ARG . 8.3 ptt-85 . . . . . 0 C--N 1.333 -0.146 0 CA-C-O 121.012 0.434 . . . . 0.0 110.868 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 17' ' ' THR . . . . . . . . 0 N--CA 1.443 -0.868 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -174.91 156.37 2.21 Favored 'General case' 0 C--N 1.342 0.27 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.6 m -119.68 120.36 36.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.224 -0.288 . . . . 0.0 110.224 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.99 164.47 18.3 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -83.41 88.24 6.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.173 179.367 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.0 tp -106.65 69.01 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.114 0.483 . . . . 0.0 110.406 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.7 m -73.65 120.44 19.26 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.522 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -103.9 148.24 26.39 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.699 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -60.82 79.6 0.01 OUTLIER 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.556 0.535 . . . . 0.0 111.168 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.51 -21.78 4.0 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.056 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.04 95.4 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-O 120.928 0.394 . . . . 0.0 111.166 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.7 OUTLIER -74.31 118.68 17.54 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.191 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 13' ' ' ARG . 4.9 mmp_? -121.35 79.48 1.54 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.932 0.396 . . . . 0.0 111.023 -178.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 77.7 m -110.16 58.55 0.61 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.263 0.554 . . . . 0.0 109.869 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -132.96 -166.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.34 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m -95.62 101.82 13.56 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.054 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -83.13 147.48 28.05 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.182 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.294 0 CA-C-O 121.113 0.482 . . . . 0.0 111.127 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.772 0 N-CA-C 111.892 -0.483 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -174.02 154.42 2.3 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.671 0.235 . . . . 0.0 110.797 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 95.5 m -126.45 140.85 52.15 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.7 162.48 41.11 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.978 0.418 . . . . 0.0 111.451 -179.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.777 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 15.9 t -130.92 95.01 3.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.697 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.7 tp -100.96 82.86 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.406 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.742 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.7 m -71.76 120.95 18.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.326 0.584 . . . . 0.0 111.243 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.68 152.22 27.96 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.77 78.36 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.002 0.429 . . . . 0.0 111.834 -178.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.81 -27.43 3.06 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.25 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.82 115.79 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 CA-C-O 120.933 0.397 . . . . 0.0 111.22 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.742 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 6.6 m -88.57 114.05 24.78 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.94 64.64 4.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.174 0.512 . . . . 0.0 110.941 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.777 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 4.0 m -109.01 104.36 13.56 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.878 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -151.03 172.44 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.639 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -110.22 138.12 47.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.757 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.79 142.66 50.65 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.454 ' HG3' ' H ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.219 0 CA-C-O 120.967 0.413 . . . . 0.0 110.841 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.822 0 N-CA-C 112.386 -0.286 . . . . 0.0 112.386 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -166.03 133.55 2.81 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 117.274 0.537 . . . . 0.0 110.657 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.0 m -107.46 137.26 45.82 Favored 'General case' 0 N--CA 1.457 -0.105 0 O-C-N 121.693 -0.629 . . . . 0.0 110.095 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.437 ' O ' HG13 ' A' ' 15' ' ' ILE . 1.4 mtt180 -125.84 144.7 50.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.347 . . . . 0.0 110.938 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.3 m -118.43 66.83 0.76 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.959 0.409 . . . . 0.0 110.631 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.442 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -99.92 -8.93 23.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.821 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m 69.83 146.59 0.06 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 122.002 0.906 . . . . 0.0 112.795 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -117.26 151.3 37.22 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.129 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.445 ' HD3' ' HA ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -63.76 80.62 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.241 0.543 . . . . 0.0 111.233 -178.884 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.27 -17.53 7.02 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.379 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 t -125.58 84.78 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 120.936 0.398 . . . . 0.0 110.296 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.82 55.37 1.36 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.197 0.522 . . . . 0.0 110.296 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -129.14 28.03 5.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.032 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 70.4 m 65.52 174.42 0.22 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.053 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -135.95 116.61 18.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.509 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m -101.61 113.68 27.04 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.861 0.363 . . . . 0.0 110.899 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.33 142.67 33.17 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.059 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 18' ' ' ARG . 5.4 mtt180 . . . . . 0 C--N 1.332 -0.179 0 CA-C-O 120.735 0.302 . . . . 0.0 111.219 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.647 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.441 ' CE2' ' HG2' ' A' ' 4' ' ' ARG . 4.0 p90 -178.26 135.51 0.16 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.641 ' HB3' ' HA ' ' A' ' 16' ' ' CYS . 1.2 m -89.73 114.32 25.98 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 119.02 0.827 . . . . 0.0 110.916 -178.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.441 ' HG2' ' CE2' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -121.87 141.22 51.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.642 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.51 129.21 36.03 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.16 133.19 14.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.074 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -130.62 126.94 37.92 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.936 0.398 . . . . 0.0 110.619 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.543 ' HB3' HG23 ' A' ' 11' ' ' VAL . 2.8 ttp180 -99.12 150.48 21.98 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.78 79.09 0.02 OUTLIER 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.078 0.466 . . . . 0.0 111.539 -178.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.08 -15.9 5.56 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.476 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.543 HG23 ' HB3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -146.17 104.96 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-O 120.966 0.412 . . . . 0.0 111.151 179.605 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m -83.93 136.84 33.92 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -131.37 43.22 3.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.003 0.43 . . . . 0.0 111.11 -179.335 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -79.39 91.83 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.392 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -159.14 170.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.714 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.641 ' HA ' ' HB3' ' A' ' 3' ' ' CYS . 13.9 t -76.86 136.33 38.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.871 0.367 . . . . 0.0 110.696 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.06 143.92 41.01 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? . . . . . 0 C--N 1.333 -0.123 0 CA-C-O 121.013 0.435 . . . . 0.0 111.182 -178.962 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.52 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -159.94 130.1 5.48 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 m -133.72 141.11 47.4 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 122.074 -0.391 . . . . 0.0 110.2 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.53 ' HA ' ' NH1' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -122.44 -64.57 1.18 Allowed 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 121.041 -0.264 . . . . 0.0 111.49 -179.668 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 1.039 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 4.2 m 56.59 68.88 0.8 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.426 0.631 . . . . 0.0 111.344 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.79 98.92 8.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.345 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.866 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 59.6 m -84.42 114.18 21.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.128 0.489 . . . . 0.0 111.094 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.87 158.15 16.46 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.423 ' HD3' ' HA ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -67.61 80.93 0.17 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.216 0.531 . . . . 0.0 110.577 -179.082 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 137.54 -29.17 2.7 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.268 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.74 121.58 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.933 0.367 . . . . 0.0 110.349 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.866 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 35.1 t -100.27 126.72 46.62 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.02 0.438 . . . . 0.0 110.605 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.79 79.33 1.64 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.923 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 1.039 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -79.69 68.34 5.72 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.238 0.542 . . . . 0.0 111.021 -179.464 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 mt -74.28 93.18 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.179 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.58 118.36 31.46 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.13 0.491 . . . . 0.0 110.138 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.23 143.88 48.09 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.53 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.292 0 CA-C-O 121.048 0.451 . . . . 0.0 110.473 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.809 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -162.51 131.96 4.38 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 28.1 m -108.53 92.34 4.02 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 121.719 -0.613 . . . . 0.0 110.786 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -104.6 143.5 32.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.284 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.979 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 35.7 m -96.81 121.87 39.14 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.079 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.462 HD12 HD11 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -101.27 106.86 18.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.019 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.756 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 61.2 m -82.1 114.65 20.78 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.313 -179.303 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.5 HH11 ' HB2' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -87.25 157.34 19.34 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 178.338 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.444 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -65.13 78.77 0.05 Allowed 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.114 0.483 . . . . 0.0 111.026 -178.709 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 137.18 -30.17 2.65 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.392 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.1 124.92 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 117.372 0.586 . . . . 0.0 111.58 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.756 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 34.7 t -101.15 136.61 40.72 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.04 136.91 17.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.714 0.292 . . . . 0.0 110.788 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.979 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 2.6 m -84.45 132.2 34.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.216 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.462 HD11 HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -76.41 -37.95 31.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.882 -179.336 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER 58.05 74.48 0.43 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.994 -179.808 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.38 148.36 26.65 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 121.3 0.572 . . . . 0.0 110.161 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.69 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -178.24 146.01 0.37 Allowed 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 66.4 m -103.37 117.99 35.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.197 0.522 . . . . 0.0 110.63 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.629 ' HB2' ' HB ' ' A' ' 15' ' ' ILE . 2.0 mpt_? -88.0 84.97 6.92 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.563 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.2 m -82.57 61.02 5.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.287 0.565 . . . . 0.0 111.076 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.513 ' HB2' HH21 ' A' ' 8' ' ' ARG . 5.1 mt -101.45 91.22 4.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.933 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 m -65.75 146.56 54.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.607 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.69 ' HB2' HG23 ' A' ' 11' ' ' VAL . 1.6 mmt180 -109.66 140.18 43.8 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -60.01 79.98 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.222 0.534 . . . . 0.0 111.278 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.26 -23.45 2.39 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.88 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.69 HG23 ' HB2' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -143.18 116.2 3.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 120.953 0.406 . . . . 0.0 110.469 179.199 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.33 109.05 20.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.965 0.412 . . . . 0.0 110.463 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -147.93 125.17 11.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.35 -179.721 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.0 m -82.8 118.96 23.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.334 -0.394 . . . . 0.0 109.989 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.629 ' HB ' ' HB2' ' A' ' 4' ' ' ARG . 3.6 mt -79.76 73.43 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.075 0.464 . . . . 0.0 110.382 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 1.2 m -72.09 111.15 7.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.122 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.27 142.51 49.0 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.267 0 CA-C-O 121.256 0.55 . . . . 0.0 110.875 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.591 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -148.89 122.28 9.05 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -139.93 144.53 37.14 Favored 'General case' 0 CA--C 1.52 -0.193 0 O-C-N 121.728 -0.608 . . . . 0.0 110.594 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.1 -24.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.36 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.0 m 58.5 35.69 24.8 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.151 0.5 . . . . 0.0 110.94 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 6' ' ' LEU . 6.2 tp -80.24 117.65 21.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 m -87.16 149.63 24.51 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.59 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.494 ' HB3' HG23 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -131.6 158.85 39.94 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.825 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.42 78.51 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.376 0.607 . . . . 0.0 111.494 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.91 -20.15 2.52 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.79 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.494 HG23 ' HB3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -136.29 103.6 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.917 0.389 . . . . 0.0 110.516 179.45 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.8 t -136.61 100.25 4.29 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.338 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.11 26.7 0.14 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 58.61 81.49 0.16 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.18 0.514 . . . . 0.0 110.966 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.5 mm -70.85 121.4 20.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.854 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.74 123.39 14.13 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.73 145.4 45.57 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 121.252 0.548 . . . . 0.0 110.231 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.695 0 N-CA-C 111.888 -0.485 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -167.98 152.04 6.24 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.714 0.257 . . . . 0.0 110.787 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 69.8 m -132.8 142.66 49.1 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -158.64 162.15 37.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.938 0.399 . . . . 0.0 110.97 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.739 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 4.4 t -105.43 135.19 47.26 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.164 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.27 55.33 0.71 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.062 0.458 . . . . 0.0 109.929 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 7.3 m -53.05 128.74 28.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.569 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.18 150.35 25.94 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -61.36 78.21 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 121.111 0.482 . . . . 0.0 111.749 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.59 -22.7 3.48 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.227 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.96 111.58 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.972 0.415 . . . . 0.0 111.04 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 1.1 m -86.77 138.78 31.32 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.9 123.09 3.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.871 0.367 . . . . 0.0 110.793 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.739 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 2.8 m -108.2 150.77 26.82 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -132.04 162.56 39.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.709 0.29 . . . . 0.0 110.947 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -128.07 143.78 51.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.953 0.406 . . . . 0.0 110.384 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.2 144.74 43.01 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 . . . . . 0 CA--C 1.53 0.192 0 CA-C-O 120.793 0.33 . . . . 0.0 110.586 -179.661 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.844 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -152.76 119.79 5.81 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.411 ' O ' ' HD3' ' A' ' 4' ' ' ARG . 77.7 m -131.95 134.82 46.07 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.174 0.443 . . . . 0.0 110.053 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -160.68 139.53 10.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.4 -179.7 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.752 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 1.3 m -81.29 62.12 5.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.265 0.555 . . . . 0.0 110.227 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.25 167.71 16.49 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.871 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -89.77 122.41 32.83 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.257 0.551 . . . . 0.0 111.393 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.706 ' HB3' HG23 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -111.41 157.13 20.61 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.551 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.62 77.69 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.223 0.535 . . . . 0.0 111.808 -178.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.58 -16.89 3.77 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.317 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.706 HG23 ' HB3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -139.49 107.44 3.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.899 0.381 . . . . 0.0 111.063 179.672 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.98 52.32 0.73 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.011 0.434 . . . . 0.0 110.445 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.97 61.97 0.41 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.122 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.752 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 56.8 m 56.55 82.83 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.785 179.164 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.586 HG12 ' HE ' ' A' ' 8' ' ' ARG . 0.9 OUTLIER -65.61 120.99 13.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.309 179.434 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.1 t -123.11 86.61 2.61 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.114 0.483 . . . . 0.0 110.281 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.82 145.24 24.93 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.529 ' HD3' ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.333 -0.136 0 CA-C-O 121.384 0.611 . . . . 0.0 110.336 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.667 0 N-CA-C 111.705 -0.558 . . . . 0.0 111.705 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -174.37 153.77 2.0 Allowed 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.1 m -111.33 133.64 53.5 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.18 125.82 39.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.072 0.463 . . . . 0.0 111.506 -178.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 67.0 m -86.82 63.48 7.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.14 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.49 161.46 37.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.108 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.6 m -64.4 140.72 58.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.382 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.754 ' HB3' HG23 ' A' ' 11' ' ' VAL . 14.4 ttt180 -121.95 154.59 36.98 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -65.87 77.95 0.08 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.629 0.728 . . . . 0.0 111.763 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.05 -15.26 4.55 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.07 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.754 HG23 ' HB3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -146.47 104.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.005 0.431 . . . . 0.0 110.552 179.436 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -91.1 71.8 6.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.24 0.543 . . . . 0.0 110.231 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 13' ' ' ARG . 1.1 tmt_? -163.6 155.5 17.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.538 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 38.2 t -59.91 117.89 5.58 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.419 ' H ' HG13 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -122.76 164.82 19.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.101 -179.141 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m -112.97 124.64 53.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.19 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.89 145.93 34.56 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 . . . . . 0 N--CA 1.464 0.231 0 CA-C-O 120.735 0.303 . . . . 0.0 111.141 -179.206 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -177.43 146.61 0.48 Allowed 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.1 m -110.01 117.81 34.75 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.1 0.476 . . . . 0.0 110.621 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.88 77.92 6.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.875 -179.502 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -98.47 -9.14 25.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.386 0.612 . . . . 0.0 110.032 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.14 85.8 7.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.318 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 71.0 m -51.71 107.8 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 122.012 0.911 . . . . 0.0 112.816 -177.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -107.36 153.8 22.24 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.376 -1.283 . . . . 0.0 108.336 179.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.04 81.1 0.08 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.291 0.567 . . . . 0.0 110.772 -178.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.18 -21.86 2.44 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.619 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.46 105.09 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-O 120.91 0.386 . . . . 0.0 110.674 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' HB2' ' HA ' ' A' ' 7' ' ' CYS . 2.5 t -160.98 125.91 3.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.037 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.67 -16.21 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.295 0.372 . . . . 0.0 111.871 179.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.8 m 54.86 36.92 27.69 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.97 0.414 . . . . 0.0 110.978 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.418 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 1.1 tp -74.35 -22.5 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.875 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 1.1 m 72.13 146.68 0.08 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.205 0.526 . . . . 0.0 111.191 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.26 142.94 29.94 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.374 0 O-C-N 123.196 0.31 . . . . 0.0 111.26 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.649 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -168.38 146.33 4.18 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.2 m -124.65 126.14 45.25 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 122.123 -0.36 . . . . 0.0 110.075 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.497 ' HB3' HD23 ' A' ' 6' ' ' LEU . 19.5 mtt180 -130.06 133.51 46.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.289 -179.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 59.7 m -92.79 100.91 13.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.934 0.397 . . . . 0.0 110.326 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.497 HD23 ' HB3' ' A' ' 4' ' ' ARG . 1.1 pp -146.19 166.45 26.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.786 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.6 m -91.44 117.68 29.9 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.162 0.506 . . . . 0.0 110.9 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.06 154.17 17.9 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -63.18 79.76 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.079 0.466 . . . . 0.0 111.185 -179.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.79 -18.0 6.75 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.925 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.8 t -133.14 91.86 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.716 0.293 . . . . 0.0 110.568 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.6 OUTLIER -84.82 65.5 9.18 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.16 0.505 . . . . 0.0 110.026 179.509 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.7 ttp85 -168.16 157.03 9.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.533 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.82 94.41 0.13 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 123.205 0.316 . . . . 0.0 110.541 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.512 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 0.3 OUTLIER -60.32 -36.76 70.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.128 -179.256 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 1.2 m 76.92 143.96 0.08 Allowed 'General case' 0 N--CA 1.465 0.29 0 O-C-N 124.2 0.937 . . . . 0.0 111.217 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.78 143.75 47.27 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 121.006 0.431 . . . . 0.0 110.768 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 111.976 -0.45 . . . . 0.0 111.976 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -154.86 124.38 6.47 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.09 127.53 48.86 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 121.9 -0.5 . . . . 0.0 110.727 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -131.22 58.54 1.71 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.486 -179.777 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 22.5 m -80.08 59.49 3.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.804 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.1 mt -85.14 80.72 9.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.835 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 m -66.99 117.15 8.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.093 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -92.64 157.75 16.32 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 178.166 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -67.41 80.07 0.16 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.264 0.554 . . . . 0.0 110.706 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 127.72 -18.27 6.0 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.648 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.5 t -126.89 87.24 1.1 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.272 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.79 74.64 7.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.293 0.568 . . . . 0.0 110.797 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.419 ' HG3' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -88.47 90.81 8.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.233 179.701 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 0.1 OUTLIER -82.91 80.22 9.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.545 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 mt -80.28 74.11 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 108.39 19.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.178 0.513 . . . . 0.0 110.391 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.6 143.35 47.7 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.38 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.518 ' H ' ' HG3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.246 0 CA-C-O 120.979 0.419 . . . . 0.0 110.925 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.581 0 N-CA-C 111.59 -0.604 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -171.08 142.65 1.83 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.498 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . 56.3 m -122.62 121.09 35.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.027 0.442 . . . . 0.0 110.629 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.658 ' HB2' ' HB ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -96.04 72.13 2.93 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.286 -179.855 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.594 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 1.8 m -107.56 44.79 1.05 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.15 0.5 . . . . 0.0 110.701 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mt -91.83 -3.19 56.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 m 68.93 152.78 0.1 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.465 0.65 . . . . 0.0 111.953 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.2 147.87 47.7 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.44 78.94 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.514 0.509 . . . . 0.0 111.807 -178.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.89 -22.13 3.48 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.961 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.17 106.43 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.053 0.454 . . . . 0.0 110.727 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -93.55 86.12 5.11 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.407 0.622 . . . . 0.0 110.186 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -130.39 128.17 40.83 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.256 -179.506 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.594 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 0.6 OUTLIER -85.08 109.07 17.98 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.008 0.432 . . . . 0.0 109.937 179.744 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.658 ' HB ' ' HB2' ' A' ' 4' ' ' ARG . 3.3 mt -84.46 75.84 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.143 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.25 138.6 37.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.934 0.397 . . . . 0.0 110.874 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.72 144.53 27.15 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.276 0 CA-C-O 120.921 0.391 . . . . 0.0 111.175 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.939 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -170.3 156.84 5.89 Favored 'General case' 0 C--N 1.341 0.218 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.7 m -115.03 87.92 2.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.491 0.662 . . . . 0.0 110.618 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.455 ' HD3' ' HA ' ' A' ' 4' ' ' ARG . 0.9 OUTLIER -98.26 76.23 2.31 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.687 179.534 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.558 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 78.3 m -77.7 81.91 4.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.268 -179.143 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.697 ' HG ' ' HB2' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -81.37 104.38 11.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.249 0.547 . . . . 0.0 109.708 179.54 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.8 m -90.63 113.95 26.11 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.479 0.657 . . . . 0.0 111.37 -179.035 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -97.39 153.28 18.19 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.81 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.531 ' HD3' ' HA ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -66.23 79.72 0.09 Allowed 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 121.179 0.514 . . . . 0.0 110.99 -178.674 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.98 -21.75 3.5 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.204 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.09 115.23 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.92 0.39 . . . . 0.0 111.235 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 1.3 m -98.45 112.39 24.42 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.858 0.361 . . . . 0.0 110.292 179.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.697 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -89.6 71.43 7.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.945 0.402 . . . . 0.0 110.997 -179.609 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.2 t -118.73 92.6 3.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.299 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.439 ' H ' HG13 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -125.96 -15.35 3.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.46 -179.536 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 m 63.93 100.81 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.397 0.617 . . . . 0.0 111.084 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.45 149.2 27.74 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? . . . . . 0 CA--C 1.526 0.044 0 CA-C-O 121.322 0.582 . . . . 0.0 110.256 -179.57 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.633 0 N-CA-C 112.297 -0.321 . . . . 0.0 112.297 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -161.16 140.53 10.38 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.864 0.332 . . . . 0.0 111.067 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.8 m -132.46 145.16 50.98 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.39 124.41 10.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.984 0.421 . . . . 0.0 111.487 -179.153 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -99.88 87.35 3.49 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.843 179.102 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.428 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 1.1 mt -82.43 71.17 9.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.11 0.481 . . . . 0.0 110.421 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.684 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 2.0 m -82.79 115.69 21.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.5 0.667 . . . . 0.0 111.181 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -105.87 154.49 20.47 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -64.32 79.4 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.99 0.424 . . . . 0.0 111.147 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.56 -26.81 3.02 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.328 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.07 114.58 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 116.994 0.397 . . . . 0.0 111.259 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.684 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 1.3 m -92.69 104.76 17.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.067 0.46 . . . . 0.0 110.299 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.517 ' HD2' ' HA ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -96.61 66.5 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.291 0.567 . . . . 0.0 110.789 -179.736 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 59.1 m -83.42 126.74 33.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.05 179.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.416 ' H ' HG13 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -129.81 158.21 42.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.412 -179.79 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.66 126.2 12.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.069 0.462 . . . . 0.0 110.289 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.67 143.53 50.36 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.352 0 CA-C-O 120.916 0.388 . . . . 0.0 111.005 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.602 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -172.95 139.64 0.86 Allowed 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 52.4 m -109.7 117.58 34.27 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.168 0.509 . . . . 0.0 110.37 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.762 ' HB2' ' HB ' ' A' ' 15' ' ' ILE . 5.0 mpt_? -90.58 73.94 6.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.384 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 8.8 m -85.59 56.4 3.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.498 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -75.72 -48.19 22.96 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.525 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 1.7 m 71.65 149.18 0.09 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.455 179.071 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.437 ' HB3' HG23 ' A' ' 11' ' ' VAL . 3.8 tmm_? -131.85 154.84 48.76 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.279 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -65.26 82.34 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.247 0.546 . . . . 0.0 110.372 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.22 -18.85 2.49 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.201 -0.908 . . . . 0.0 111.798 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.437 HG23 ' HB3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -142.84 107.08 1.32 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 120.809 0.338 . . . . 0.0 110.36 179.298 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -130.24 89.98 2.87 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.07 0.462 . . . . 0.0 110.796 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.64 -8.56 1.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.745 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 11.3 t 68.02 131.11 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.775 0.672 . . . . 0.0 111.836 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.762 ' HB ' ' HB2' ' A' ' 4' ' ' ARG . 6.3 mt -84.97 72.43 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.567 178.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 0.7 OUTLIER -74.88 117.63 16.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.47 -179.33 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.2 143.41 51.15 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.893 0.378 . . . . 0.0 110.564 -179.697 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.625 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -172.37 148.48 2.08 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.0 m -111.23 116.16 30.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.095 0.474 . . . . 0.0 110.767 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.435 ' HD2' ' HA ' ' A' ' 4' ' ' ARG . 9.9 tpt180 -92.7 83.28 4.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.14 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.903 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 16.4 m -84.79 111.89 20.02 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.036 0.446 . . . . 0.0 111.132 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.2 mt -103.02 101.39 11.37 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 m -104.43 140.85 37.33 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.41 0.624 . . . . 0.0 111.68 -179.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.503 ' HD3' ' HA ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -135.08 156.41 49.07 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 179.621 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.9 mmp_? -67.33 79.3 0.15 Allowed 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.187 0.518 . . . . 0.0 111.451 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.46 -26.11 2.43 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.129 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.24 130.37 24.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 O-C-N 122.706 -0.291 . . . . 0.0 110.841 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -123.98 109.13 13.16 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -123.74 106.94 10.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.933 0.397 . . . . 0.0 110.986 -179.334 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.903 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 40.7 t -100.56 139.43 36.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.943 0.401 . . . . 0.0 110.646 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.3 mt -110.12 87.55 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.733 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -78.35 105.7 9.78 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.062 0.458 . . . . 0.0 110.563 -179.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.87 146.13 31.34 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.3 mtm-85 . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 120.889 0.376 . . . . 0.0 110.814 -179.528 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.768 0 N-CA-C 112.092 -0.403 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -161.14 128.82 4.23 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 117.07 0.435 . . . . 0.0 110.817 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.6 m -125.25 89.38 3.04 Favored 'General case' 0 C--O 1.235 0.298 0 O-C-N 121.847 -0.533 . . . . 0.0 110.162 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.45 -167.67 2.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.174 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.565 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 4.4 m -86.44 96.21 9.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.27 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.46 85.36 3.19 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.544 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.7 m -90.54 117.36 29.16 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.427 0.632 . . . . 0.0 111.459 -178.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.26 151.35 26.07 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.53 79.33 0.02 OUTLIER 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.195 0.521 . . . . 0.0 111.552 -178.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 139.39 -24.54 2.79 Favored Glycine 0 N--CA 1.446 -0.686 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.502 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.59 127.34 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 117.015 0.407 . . . . 0.0 111.22 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.544 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 12.6 m -106.77 125.42 50.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.46 ' NE ' ' HA ' ' A' ' 13' ' ' ARG . 5.7 mmp_? -128.47 100.56 5.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.946 0.403 . . . . 0.0 111.974 -178.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.565 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 20.1 m -91.69 96.93 10.71 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -136.76 -172.68 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.069 0.462 . . . . 0.0 111.322 -178.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.67 112.8 24.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.904 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.12 140.9 48.68 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.459 ' HG2' ' H ' ' A' ' 18' ' ' ARG . 8.3 ptt-85 . . . . . 0 C--N 1.333 -0.146 0 CA-C-O 121.012 0.434 . . . . 0.0 110.868 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 17' ' ' THR . . . . . . . . 0 N--CA 1.443 -0.868 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -174.91 156.37 2.21 Favored 'General case' 0 C--N 1.342 0.27 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.6 m -119.68 120.36 36.39 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.224 -0.288 . . . . 0.0 110.224 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.99 164.47 18.3 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.843 0.354 . . . . 0.0 110.883 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -83.41 88.24 6.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.173 179.367 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.0 tp -106.65 69.01 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.114 0.483 . . . . 0.0 110.406 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.7 m -73.65 120.44 19.26 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.522 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -103.9 148.24 26.39 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.699 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -60.82 79.6 0.01 OUTLIER 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.556 0.535 . . . . 0.0 111.168 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 133.51 -21.78 4.0 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.056 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.04 95.4 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-O 120.928 0.394 . . . . 0.0 111.166 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.7 OUTLIER -74.31 118.68 17.54 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.191 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 13' ' ' ARG . 4.9 mmp_? -121.35 79.48 1.54 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.932 0.396 . . . . 0.0 111.023 -178.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 77.7 m -110.16 58.55 0.61 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.263 0.554 . . . . 0.0 109.869 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -132.96 -166.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.34 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m -95.62 101.82 13.56 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.054 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -83.13 147.48 28.05 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.182 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.294 0 CA-C-O 121.113 0.482 . . . . 0.0 111.127 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.772 0 N-CA-C 111.892 -0.483 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -174.02 154.42 2.3 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.671 0.235 . . . . 0.0 110.797 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 95.5 m -126.45 140.85 52.15 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.7 162.48 41.11 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.978 0.418 . . . . 0.0 111.451 -179.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.777 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 15.9 t -130.92 95.01 3.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.697 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.7 tp -100.96 82.86 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.406 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.742 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.7 m -71.76 120.95 18.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.326 0.584 . . . . 0.0 111.243 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.68 152.22 27.96 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.77 78.36 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.002 0.429 . . . . 0.0 111.834 -178.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.81 -27.43 3.06 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.25 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.82 115.79 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 CA-C-O 120.933 0.397 . . . . 0.0 111.22 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.742 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 6.6 m -88.57 114.05 24.78 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.94 64.64 4.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.174 0.512 . . . . 0.0 110.941 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.777 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 4.0 m -109.01 104.36 13.56 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.878 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -151.03 172.44 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.639 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -110.22 138.12 47.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.757 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.79 142.66 50.65 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.454 ' HG3' ' H ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.219 0 CA-C-O 120.967 0.413 . . . . 0.0 110.841 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.822 0 N-CA-C 112.386 -0.286 . . . . 0.0 112.386 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -166.03 133.55 2.81 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 117.274 0.537 . . . . 0.0 110.657 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.0 m -107.46 137.26 45.82 Favored 'General case' 0 N--CA 1.457 -0.105 0 O-C-N 121.693 -0.629 . . . . 0.0 110.095 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.437 ' O ' HG13 ' A' ' 15' ' ' ILE . 1.4 mtt180 -125.84 144.7 50.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.347 . . . . 0.0 110.938 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.3 m -118.43 66.83 0.76 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.959 0.409 . . . . 0.0 110.631 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.442 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -99.92 -8.93 23.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.821 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m 69.83 146.59 0.06 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 122.002 0.906 . . . . 0.0 112.795 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -117.26 151.3 37.22 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.129 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.445 ' HD3' ' HA ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -63.76 80.62 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.241 0.543 . . . . 0.0 111.233 -178.884 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.27 -17.53 7.02 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.379 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.9 t -125.58 84.78 0.89 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-O 120.936 0.398 . . . . 0.0 110.296 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.82 55.37 1.36 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.197 0.522 . . . . 0.0 110.296 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -129.14 28.03 5.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.032 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 70.4 m 65.52 174.42 0.22 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.053 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -135.95 116.61 18.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.509 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m -101.61 113.68 27.04 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.861 0.363 . . . . 0.0 110.899 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.33 142.67 33.17 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 179.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 18' ' ' ARG . 5.4 mtt180 . . . . . 0 C--N 1.332 -0.179 0 CA-C-O 120.735 0.302 . . . . 0.0 111.219 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.647 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.441 ' CE2' ' HG2' ' A' ' 4' ' ' ARG . 4.0 p90 -178.26 135.51 0.16 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.641 ' HB3' ' HA ' ' A' ' 16' ' ' CYS . 1.2 m -89.73 114.32 25.98 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 119.02 0.827 . . . . 0.0 110.916 -178.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.441 ' HG2' ' CE2' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -121.87 141.22 51.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.642 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.51 129.21 36.03 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.16 133.19 14.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.074 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -130.62 126.94 37.92 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.936 0.398 . . . . 0.0 110.619 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.543 ' HB3' HG23 ' A' ' 11' ' ' VAL . 2.8 ttp180 -99.12 150.48 21.98 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.78 79.09 0.02 OUTLIER 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.078 0.466 . . . . 0.0 111.539 -178.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.08 -15.9 5.56 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.476 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.543 HG23 ' HB3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -146.17 104.96 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-O 120.966 0.412 . . . . 0.0 111.151 179.605 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m -83.93 136.84 33.92 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -131.37 43.22 3.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.003 0.43 . . . . 0.0 111.11 -179.335 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -79.39 91.83 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.392 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -159.14 170.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.714 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.641 ' HA ' ' HB3' ' A' ' 3' ' ' CYS . 13.9 t -76.86 136.33 38.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.871 0.367 . . . . 0.0 110.696 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.06 143.92 41.01 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? . . . . . 0 C--N 1.333 -0.123 0 CA-C-O 121.013 0.435 . . . . 0.0 111.182 -178.962 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.52 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -159.94 130.1 5.48 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 m -133.72 141.11 47.4 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 122.074 -0.391 . . . . 0.0 110.2 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.53 ' HA ' ' NH1' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -122.44 -64.57 1.18 Allowed 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 121.041 -0.264 . . . . 0.0 111.49 -179.668 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 1.039 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 4.2 m 56.59 68.88 0.8 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.426 0.631 . . . . 0.0 111.344 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.79 98.92 8.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.345 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.866 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 59.6 m -84.42 114.18 21.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.128 0.489 . . . . 0.0 111.094 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.87 158.15 16.46 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.423 ' HD3' ' HA ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -67.61 80.93 0.17 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.216 0.531 . . . . 0.0 110.577 -179.082 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 137.54 -29.17 2.7 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.268 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.74 121.58 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.933 0.367 . . . . 0.0 110.349 179.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.866 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 35.1 t -100.27 126.72 46.62 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.02 0.438 . . . . 0.0 110.605 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.79 79.33 1.64 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.923 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 1.039 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -79.69 68.34 5.72 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.238 0.542 . . . . 0.0 111.021 -179.464 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 mt -74.28 93.18 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.179 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.58 118.36 31.46 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.13 0.491 . . . . 0.0 110.138 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.23 143.88 48.09 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.53 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.292 0 CA-C-O 121.048 0.451 . . . . 0.0 110.473 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.809 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -162.51 131.96 4.38 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 28.1 m -108.53 92.34 4.02 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 121.719 -0.613 . . . . 0.0 110.786 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -104.6 143.5 32.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.284 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.979 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 35.7 m -96.81 121.87 39.14 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.079 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.462 HD12 HD11 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -101.27 106.86 18.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.019 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.756 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 61.2 m -82.1 114.65 20.78 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.313 -179.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.5 HH11 ' HB2' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -87.25 157.34 19.34 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 178.338 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.444 ' HA ' ' HD3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -65.13 78.77 0.05 Allowed 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.114 0.483 . . . . 0.0 111.026 -178.709 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 137.18 -30.17 2.65 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.392 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.1 124.92 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 117.372 0.586 . . . . 0.0 111.58 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.756 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 34.7 t -101.15 136.61 40.72 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 178.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.04 136.91 17.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.714 0.292 . . . . 0.0 110.788 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.979 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 2.6 m -84.45 132.2 34.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.216 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.462 HD11 HD12 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -76.41 -37.95 31.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.882 -179.336 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER 58.05 74.48 0.43 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.994 -179.808 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.38 148.36 26.65 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 121.3 0.572 . . . . 0.0 110.161 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.69 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -178.24 146.01 0.37 Allowed 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 66.4 m -103.37 117.99 35.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.197 0.522 . . . . 0.0 110.63 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.629 ' HB2' ' HB ' ' A' ' 15' ' ' ILE . 2.0 mpt_? -88.0 84.97 6.92 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.563 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.2 m -82.57 61.02 5.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.287 0.565 . . . . 0.0 111.076 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.513 ' HB2' HH21 ' A' ' 8' ' ' ARG . 5.1 mt -101.45 91.22 4.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.933 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 m -65.75 146.56 54.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.607 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.69 ' HB2' HG23 ' A' ' 11' ' ' VAL . 1.6 mmt180 -109.66 140.18 43.8 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -60.01 79.98 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.222 0.534 . . . . 0.0 111.278 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.26 -23.45 2.39 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.88 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.69 HG23 ' HB2' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -143.18 116.2 3.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 120.953 0.406 . . . . 0.0 110.469 179.199 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.33 109.05 20.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.965 0.412 . . . . 0.0 110.463 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -147.93 125.17 11.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.35 -179.721 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.0 m -82.8 118.96 23.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.334 -0.394 . . . . 0.0 109.989 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.629 ' HB ' ' HB2' ' A' ' 4' ' ' ARG . 3.6 mt -79.76 73.43 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.075 0.464 . . . . 0.0 110.382 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 1.2 m -72.09 111.15 7.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.122 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.27 142.51 49.0 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.267 0 CA-C-O 121.256 0.55 . . . . 0.0 110.875 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.591 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -148.89 122.28 9.05 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -139.93 144.53 37.14 Favored 'General case' 0 CA--C 1.52 -0.193 0 O-C-N 121.728 -0.608 . . . . 0.0 110.594 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.1 -24.89 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.36 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.0 m 58.5 35.69 24.8 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.151 0.5 . . . . 0.0 110.94 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 6' ' ' LEU . 6.2 tp -80.24 117.65 21.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 m -87.16 149.63 24.51 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.59 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.494 ' HB3' HG23 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -131.6 158.85 39.94 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.825 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.42 78.51 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.376 0.607 . . . . 0.0 111.494 -179.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.91 -20.15 2.52 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.79 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.494 HG23 ' HB3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -136.29 103.6 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.917 0.389 . . . . 0.0 110.516 179.45 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.8 t -136.61 100.25 4.29 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.338 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.11 26.7 0.14 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 58.61 81.49 0.16 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.18 0.514 . . . . 0.0 110.966 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.5 mm -70.85 121.4 20.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.854 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.74 123.39 14.13 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.73 145.4 45.57 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 121.252 0.548 . . . . 0.0 110.231 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.695 0 N-CA-C 111.888 -0.485 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -167.98 152.04 6.24 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.714 0.257 . . . . 0.0 110.787 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 69.8 m -132.8 142.66 49.1 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -158.64 162.15 37.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.938 0.399 . . . . 0.0 110.97 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.739 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 4.4 t -105.43 135.19 47.26 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.164 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.27 55.33 0.71 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.062 0.458 . . . . 0.0 109.929 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 7.3 m -53.05 128.74 28.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.569 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.18 150.35 25.94 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -61.36 78.21 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 121.111 0.482 . . . . 0.0 111.749 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.59 -22.7 3.48 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.659 -0.701 . . . . 0.0 112.227 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.96 111.58 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.972 0.415 . . . . 0.0 111.04 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 1.1 m -86.77 138.78 31.32 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.9 123.09 3.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.871 0.367 . . . . 0.0 110.793 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.739 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 2.8 m -108.2 150.77 26.82 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -132.04 162.56 39.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.709 0.29 . . . . 0.0 110.947 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -128.07 143.78 51.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.953 0.406 . . . . 0.0 110.384 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.2 144.74 43.01 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 . . . . . 0 CA--C 1.53 0.192 0 CA-C-O 120.793 0.33 . . . . 0.0 110.586 -179.661 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.844 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -152.76 119.79 5.81 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.411 ' O ' ' HD3' ' A' ' 4' ' ' ARG . 77.7 m -131.95 134.82 46.07 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 118.174 0.443 . . . . 0.0 110.053 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -160.68 139.53 10.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.4 -179.7 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.752 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 1.3 m -81.29 62.12 5.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.265 0.555 . . . . 0.0 110.227 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.25 167.71 16.49 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.871 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -89.77 122.41 32.83 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.257 0.551 . . . . 0.0 111.393 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.706 ' HB3' HG23 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -111.41 157.13 20.61 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.551 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.62 77.69 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.223 0.535 . . . . 0.0 111.808 -178.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.58 -16.89 3.77 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.317 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.706 HG23 ' HB3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -139.49 107.44 3.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.899 0.381 . . . . 0.0 111.063 179.672 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.98 52.32 0.73 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.011 0.434 . . . . 0.0 110.445 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.97 61.97 0.41 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.122 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.752 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 56.8 m 56.55 82.83 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.785 179.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.586 HG12 ' HE ' ' A' ' 8' ' ' ARG . 0.9 OUTLIER -65.61 120.99 13.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.309 179.434 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.1 t -123.11 86.61 2.61 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.114 0.483 . . . . 0.0 110.281 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.82 145.24 24.93 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.529 ' HD3' ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.333 -0.136 0 CA-C-O 121.384 0.611 . . . . 0.0 110.336 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.667 0 N-CA-C 111.705 -0.558 . . . . 0.0 111.705 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -174.37 153.77 2.0 Allowed 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.1 m -111.33 133.64 53.5 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.18 125.82 39.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.072 0.463 . . . . 0.0 111.506 -178.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 67.0 m -86.82 63.48 7.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.14 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.49 161.46 37.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.108 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.6 m -64.4 140.72 58.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.382 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.754 ' HB3' HG23 ' A' ' 11' ' ' VAL . 14.4 ttt180 -121.95 154.59 36.98 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -65.87 77.95 0.08 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.629 0.728 . . . . 0.0 111.763 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 134.05 -15.26 4.55 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.07 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.754 HG23 ' HB3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -146.47 104.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.005 0.431 . . . . 0.0 110.552 179.436 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -91.1 71.8 6.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.24 0.543 . . . . 0.0 110.231 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 13' ' ' ARG . 1.1 tmt_? -163.6 155.5 17.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.538 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 38.2 t -59.91 117.89 5.58 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.419 ' H ' HG13 ' A' ' 15' ' ' ILE . 0.9 OUTLIER -122.76 164.82 19.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.101 -179.141 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m -112.97 124.64 53.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.19 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.89 145.93 34.56 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 . . . . . 0 N--CA 1.464 0.231 0 CA-C-O 120.735 0.303 . . . . 0.0 111.141 -179.206 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -177.43 146.61 0.48 Allowed 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.1 m -110.01 117.81 34.75 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.1 0.476 . . . . 0.0 110.621 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.88 77.92 6.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.875 -179.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -98.47 -9.14 25.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.386 0.612 . . . . 0.0 110.032 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.14 85.8 7.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 71.0 m -51.71 107.8 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 122.012 0.911 . . . . 0.0 112.816 -177.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -107.36 153.8 22.24 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.376 -1.283 . . . . 0.0 108.336 179.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.04 81.1 0.08 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.291 0.567 . . . . 0.0 110.772 -178.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.18 -21.86 2.44 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.619 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.46 105.09 1.45 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-O 120.91 0.386 . . . . 0.0 110.674 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' HB2' ' HA ' ' A' ' 7' ' ' CYS . 2.5 t -160.98 125.91 3.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.037 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.67 -16.21 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.295 0.372 . . . . 0.0 111.871 179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 7.8 m 54.86 36.92 27.69 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.97 0.414 . . . . 0.0 110.978 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.418 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 1.1 tp -74.35 -22.5 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.875 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 1.1 m 72.13 146.68 0.08 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.205 0.526 . . . . 0.0 111.191 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.26 142.94 29.94 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.374 0 O-C-N 123.196 0.31 . . . . 0.0 111.26 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.649 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -168.38 146.33 4.18 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.2 m -124.65 126.14 45.25 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 122.123 -0.36 . . . . 0.0 110.075 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.497 ' HB3' HD23 ' A' ' 6' ' ' LEU . 19.5 mtt180 -130.06 133.51 46.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.289 -179.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 59.7 m -92.79 100.91 13.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.934 0.397 . . . . 0.0 110.326 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.497 HD23 ' HB3' ' A' ' 4' ' ' ARG . 1.1 pp -146.19 166.45 26.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.786 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.6 m -91.44 117.68 29.9 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.162 0.506 . . . . 0.0 110.9 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.06 154.17 17.9 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -63.18 79.76 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.079 0.466 . . . . 0.0 111.185 -179.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.79 -18.0 6.75 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.925 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.8 t -133.14 91.86 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.716 0.293 . . . . 0.0 110.568 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.6 OUTLIER -84.82 65.5 9.18 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.16 0.505 . . . . 0.0 110.026 179.509 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.7 ttp85 -168.16 157.03 9.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.533 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.82 94.41 0.13 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 123.205 0.316 . . . . 0.0 110.541 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.512 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 0.3 OUTLIER -60.32 -36.76 70.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.128 -179.256 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 15' ' ' ILE . 1.2 m 76.92 143.96 0.08 Allowed 'General case' 0 N--CA 1.465 0.29 0 O-C-N 124.2 0.937 . . . . 0.0 111.217 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.78 143.75 47.27 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 121.006 0.431 . . . . 0.0 110.768 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 111.976 -0.45 . . . . 0.0 111.976 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -154.86 124.38 6.47 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.09 127.53 48.86 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 121.9 -0.5 . . . . 0.0 110.727 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -131.22 58.54 1.71 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.486 -179.777 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 22.5 m -80.08 59.49 3.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.804 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.1 mt -85.14 80.72 9.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.835 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 m -66.99 117.15 8.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.53 -0.759 . . . . 0.0 112.093 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -92.64 157.75 16.32 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 178.166 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -67.41 80.07 0.16 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.264 0.554 . . . . 0.0 110.706 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 127.72 -18.27 6.0 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.648 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.5 t -126.89 87.24 1.1 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.272 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.79 74.64 7.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.293 0.568 . . . . 0.0 110.797 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.419 ' HG3' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -88.47 90.81 8.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.233 179.701 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 0.1 OUTLIER -82.91 80.22 9.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.545 -179.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 mt -80.28 74.11 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 108.39 19.58 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.178 0.513 . . . . 0.0 110.391 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.6 143.35 47.7 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.38 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.518 ' H ' ' HG3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.246 0 CA-C-O 120.979 0.419 . . . . 0.0 110.925 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.581 0 N-CA-C 111.59 -0.604 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -171.08 142.65 1.83 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.498 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . 56.3 m -122.62 121.09 35.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.027 0.442 . . . . 0.0 110.629 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.658 ' HB2' ' HB ' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -96.04 72.13 2.93 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.286 -179.855 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.594 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 1.8 m -107.56 44.79 1.05 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.15 0.5 . . . . 0.0 110.701 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mt -91.83 -3.19 56.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 m 68.93 152.78 0.1 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.465 0.65 . . . . 0.0 111.953 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.2 147.87 47.7 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.44 78.94 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.514 0.509 . . . . 0.0 111.807 -178.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.89 -22.13 3.48 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.961 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.17 106.43 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.053 0.454 . . . . 0.0 110.727 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -93.55 86.12 5.11 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.407 0.622 . . . . 0.0 110.186 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -130.39 128.17 40.83 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.256 -179.506 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.594 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 0.6 OUTLIER -85.08 109.07 17.98 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.008 0.432 . . . . 0.0 109.937 179.744 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.658 ' HB ' ' HB2' ' A' ' 4' ' ' ARG . 3.3 mt -84.46 75.84 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.143 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.25 138.6 37.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.934 0.397 . . . . 0.0 110.874 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.72 144.53 27.15 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.276 0 CA-C-O 120.921 0.391 . . . . 0.0 111.175 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.939 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -170.3 156.84 5.89 Favored 'General case' 0 C--N 1.341 0.218 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.7 m -115.03 87.92 2.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.491 0.662 . . . . 0.0 110.618 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.455 ' HD3' ' HA ' ' A' ' 4' ' ' ARG . 0.9 OUTLIER -98.26 76.23 2.31 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.687 179.534 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.558 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 78.3 m -77.7 81.91 4.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.268 -179.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.697 ' HG ' ' HB2' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -81.37 104.38 11.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.249 0.547 . . . . 0.0 109.708 179.54 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.8 m -90.63 113.95 26.11 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.479 0.657 . . . . 0.0 111.37 -179.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -97.39 153.28 18.19 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.81 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.531 ' HD3' ' HA ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -66.23 79.72 0.09 Allowed 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 121.179 0.514 . . . . 0.0 110.99 -178.674 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.98 -21.75 3.5 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.204 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -144.09 115.23 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.92 0.39 . . . . 0.0 111.235 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 1.3 m -98.45 112.39 24.42 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.858 0.361 . . . . 0.0 110.292 179.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.697 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -89.6 71.43 7.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.945 0.402 . . . . 0.0 110.997 -179.609 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.2 t -118.73 92.6 3.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.299 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.439 ' H ' HG13 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -125.96 -15.35 3.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.46 -179.536 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 m 63.93 100.81 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.397 0.617 . . . . 0.0 111.084 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.45 149.2 27.74 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? . . . . . 0 CA--C 1.526 0.044 0 CA-C-O 121.322 0.582 . . . . 0.0 110.256 -179.57 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.633 0 N-CA-C 112.297 -0.321 . . . . 0.0 112.297 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -161.16 140.53 10.38 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.864 0.332 . . . . 0.0 111.067 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.8 m -132.46 145.16 50.98 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.39 124.41 10.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.984 0.421 . . . . 0.0 111.487 -179.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -99.88 87.35 3.49 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.843 179.102 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.428 ' HB2' ' HB3' ' A' ' 13' ' ' ARG . 1.1 mt -82.43 71.17 9.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.11 0.481 . . . . 0.0 110.421 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.684 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 2.0 m -82.79 115.69 21.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.5 0.667 . . . . 0.0 111.181 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -105.87 154.49 20.47 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -64.32 79.4 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.99 0.424 . . . . 0.0 111.147 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.56 -26.81 3.02 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.328 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.07 114.58 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-N 116.994 0.397 . . . . 0.0 111.259 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.684 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 1.3 m -92.69 104.76 17.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.067 0.46 . . . . 0.0 110.299 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.517 ' HD2' ' HA ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -96.61 66.5 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.291 0.567 . . . . 0.0 110.789 -179.736 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 59.1 m -83.42 126.74 33.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.05 179.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.416 ' H ' HG13 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -129.81 158.21 42.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.412 -179.79 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.66 126.2 12.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.069 0.462 . . . . 0.0 110.289 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.67 143.53 50.36 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.352 0 CA-C-O 120.916 0.388 . . . . 0.0 111.005 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.602 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -172.95 139.64 0.86 Allowed 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 52.4 m -109.7 117.58 34.27 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.168 0.509 . . . . 0.0 110.37 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.762 ' HB2' ' HB ' ' A' ' 15' ' ' ILE . 5.0 mpt_? -90.58 73.94 6.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.384 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 8.8 m -85.59 56.4 3.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.498 ' H ' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -75.72 -48.19 22.96 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.525 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 1.7 m 71.65 149.18 0.09 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.455 179.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.437 ' HB3' HG23 ' A' ' 11' ' ' VAL . 3.8 tmm_? -131.85 154.84 48.76 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.279 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -65.26 82.34 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.247 0.546 . . . . 0.0 110.372 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.22 -18.85 2.49 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.201 -0.908 . . . . 0.0 111.798 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.437 HG23 ' HB3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -142.84 107.08 1.32 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 120.809 0.338 . . . . 0.0 110.36 179.298 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -130.24 89.98 2.87 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.07 0.462 . . . . 0.0 110.796 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.64 -8.56 1.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.745 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 11.3 t 68.02 131.11 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.775 0.672 . . . . 0.0 111.836 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.762 ' HB ' ' HB2' ' A' ' 4' ' ' ARG . 6.3 mt -84.97 72.43 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.567 178.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 0.7 OUTLIER -74.88 117.63 16.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.47 -179.33 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.2 143.41 51.15 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.893 0.378 . . . . 0.0 110.564 -179.697 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.625 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -172.37 148.48 2.08 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.0 m -111.23 116.16 30.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.095 0.474 . . . . 0.0 110.767 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.435 ' HD2' ' HA ' ' A' ' 4' ' ' ARG . 9.9 tpt180 -92.7 83.28 4.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.14 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.903 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 16.4 m -84.79 111.89 20.02 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.036 0.446 . . . . 0.0 111.132 -179.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.2 mt -103.02 101.39 11.37 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 m -104.43 140.85 37.33 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.41 0.624 . . . . 0.0 111.68 -179.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.503 ' HD3' ' HA ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -135.08 156.41 49.07 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 179.621 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.9 mmp_? -67.33 79.3 0.15 Allowed 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 121.187 0.518 . . . . 0.0 111.451 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 141.46 -26.11 2.43 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.129 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.24 130.37 24.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 O-C-N 122.706 -0.291 . . . . 0.0 110.841 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.3 m -123.98 109.13 13.16 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -123.74 106.94 10.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.933 0.397 . . . . 0.0 110.986 -179.334 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.903 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 40.7 t -100.56 139.43 36.25 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.943 0.401 . . . . 0.0 110.646 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.3 mt -110.12 87.55 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.733 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -78.35 105.7 9.78 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.062 0.458 . . . . 0.0 110.563 -179.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.87 146.13 31.34 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 71.3 mtm-85 . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 120.889 0.376 . . . . 0.0 110.814 -179.528 . . . . . . . . 0 0 . 1 stop_ save_