data_2k1i_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 2k1i _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.47 0.565 0 CA-C-O 120.813 0.339 . . . . 1.0 110.593 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' A' ' 6' ' ' CYS . 40.9 t-80 -153.68 169.26 23.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.976 -0.556 . . . . 1.0 109.852 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.466 ' N ' ' CG ' ' A' ' 5' ' ' HIS . 1.6 m -118.8 127.24 53.34 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.517 -0.31 . . . . 1.0 110.192 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.432 ' HE ' ' HD1' ' A' ' 5' ' ' HIS . 16.9 ptp180 -158.05 150.39 22.23 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.001 0.371 . . . . 1.0 112.001 -179.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.1 m -60.12 -41.11 91.91 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.947 -0.57 . . . . 1.0 111.783 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.7 ptt-85 -118.71 120.64 38.02 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.075 0.464 . . . . 1.0 110.809 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 93.9 m -107.71 125.67 51.66 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.481 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.503 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 8.2 mp -79.79 -177.3 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.239 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -62.14 -37.33 84.76 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 111.603 0.224 . . . . 1.0 111.603 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -61.25 -35.74 78.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.577 -0.283 . . . . 1.0 110.952 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 58.4 mp0 -105.58 104.12 13.77 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.907 0.384 . . . . 1.0 110.452 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.6 p -80.4 151.31 29.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.217 -0.447 . . . . 1.0 109.95 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.434 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 46.0 p-10 -71.07 120.46 16.68 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.907 0.384 . . . . 1.0 111.08 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.8 m -110.68 -22.15 11.74 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.08 -0.509 . . . . 1.0 111.037 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.93 -160.69 25.3 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.246 -0.742 . . . . 1.0 111.246 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.4 t -133.21 147.01 52.0 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.087 0.47 . . . . 1.0 111.253 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.67 151.72 46.15 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.62 -0.718 . . . . 1.0 109.58 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 21' ' ' ASN . 9.5 p30 -116.64 111.08 19.35 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.464 -0.334 . . . . 1.0 111.114 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.4 mt -126.78 130.03 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-N 116.316 -0.402 . . . . 1.0 109.989 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.456 ' C ' ' H ' ' A' ' 25' ' ' ARG . 13.2 m120 56.93 34.62 25.16 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.225 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.63 -25.62 1.41 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.576 -0.61 . . . . 1.0 111.576 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.456 ' H ' ' C ' ' A' ' 23' ' ' ASN . 95.8 mtt-85 -72.9 145.06 47.12 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.883 -0.414 . . . . 1.0 109.883 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.8 mm -82.91 110.24 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.768 -0.373 . . . . 1.0 110.159 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -101.44 148.28 25.36 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.364 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -103.01 124.53 48.68 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.379 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.7 tp -80.56 94.05 6.2 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 108.239 -1.023 . . . . 1.0 108.239 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 53.2 m -105.1 143.61 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.046 -0.525 . . . . 1.0 111.464 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.0 t -142.86 -178.75 5.96 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.402 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.6 ttt85 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.995 -1.003 . . . . 1.0 110.213 179.812 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.445 ' SG ' ' O ' ' A' ' 30' ' ' CYS . 11.1 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.685 0.278 . . . . 1.0 110.689 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.533 ' ND1' ' H ' ' A' ' 6' ' ' CYS . 54.3 t-80 -139.13 174.5 10.45 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 109.919 -0.401 . . . . 1.0 109.919 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.533 ' H ' ' ND1' ' A' ' 5' ' ' HIS . 1.7 m -119.11 136.13 54.31 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.905 -0.406 . . . . 1.0 109.905 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -157.49 149.85 22.73 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.219 0.451 . . . . 1.0 112.219 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.1 m -60.24 -43.53 96.01 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.714 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -122.09 140.69 52.22 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.954 0.407 . . . . 1.0 110.511 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.1 m -114.59 128.2 56.19 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.486 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.607 ' C ' ' H ' ' A' ' 13' ' ' ARG . 9.8 mp -80.75 164.09 23.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.607 -0.724 . . . . 1.0 109.866 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -63.43 25.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.883 0.327 . . . . 1.0 111.883 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.607 ' H ' ' C ' ' A' ' 11' ' ' LEU . 42.5 ttm180 -115.28 -29.21 6.66 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 110.665 -0.124 . . . . 1.0 110.665 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.537 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 54.4 mp0 -104.82 173.91 6.1 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.747 0.308 . . . . 1.0 110.377 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.1 t -137.37 139.42 40.76 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.233 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -76.64 124.96 28.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.005 0.431 . . . . 1.0 111.069 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.0 t -121.25 -1.6 9.7 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.849 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.68 -166.01 38.58 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.124 -0.79 . . . . 1.0 111.124 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.8 m -131.95 151.71 51.55 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.065 0.46 . . . . 1.0 111.259 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -143.7 151.27 39.85 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.585 -0.734 . . . . 1.0 109.669 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.9 p-10 -116.04 110.93 19.58 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.584 -0.28 . . . . 1.0 111.223 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.9 mt -127.28 131.58 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.092 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.485 ' C ' ' H ' ' A' ' 25' ' ' ARG . 13.1 m120 56.56 34.97 25.32 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.29 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.24 -26.25 0.84 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.469 -0.652 . . . . 1.0 111.469 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.485 ' H ' ' C ' ' A' ' 23' ' ' ASN . 84.4 mtt85 -73.81 142.13 46.18 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.673 -0.411 . . . . 1.0 109.9 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.429 HG21 HD12 ' A' ' 26' ' ' ILE . 35.6 mm -75.11 117.46 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.659 -0.497 . . . . 1.0 109.659 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -111.8 142.78 43.74 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.289 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.8 m -99.88 139.19 35.9 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.39 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.3 tp -81.59 102.73 10.82 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.829 -0.804 . . . . 1.0 108.829 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 0.1 OUTLIER -103.38 120.37 40.66 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.18 0.514 . . . . 1.0 111.051 -178.47 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.6 m -116.1 165.97 12.53 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.597 -0.729 . . . . 1.0 110.4 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 . . . . . 0 C--O 1.219 -0.529 0 CA-C-O 118.106 -0.95 . . . . 1.0 110.463 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 30' ' ' CYS . 15.0 t . . . . . 0 N--CA 1.468 0.444 0 CA-C-O 120.807 0.337 . . . . 1.0 110.659 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.473 ' ND1' ' N ' ' A' ' 6' ' ' CYS . 57.6 t-80 -152.32 168.88 23.98 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.882 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.473 ' N ' ' ND1' ' A' ' 5' ' ' HIS . 1.1 m -118.85 130.65 55.87 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 110.087 -0.338 . . . . 1.0 110.087 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -153.28 149.34 27.81 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.141 0.422 . . . . 1.0 112.141 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.0 m -61.23 -44.54 97.09 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.068 -0.515 . . . . 1.0 111.948 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.9 mtp85 -122.24 134.01 54.7 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.924 0.392 . . . . 1.0 110.814 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.5 m -110.41 139.08 45.96 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.715 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.61 ' C ' ' H ' ' A' ' 13' ' ' ARG . 3.6 mm? -92.59 170.26 9.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.627 -0.715 . . . . 1.0 110.1 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -64.08 25.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.755 0.28 . . . . 1.0 111.755 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.61 ' H ' ' C ' ' A' ' 11' ' ' LEU . 96.4 mtt180 -117.47 -24.99 7.12 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.471 0.177 . . . . 1.0 111.081 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 55.5 mp0 -113.03 166.13 11.71 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.731 0.301 . . . . 1.0 110.577 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.8 t -131.24 138.61 49.42 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.109 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -77.73 110.74 12.85 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.922 0.391 . . . . 1.0 111.088 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.1 p -102.72 -4.29 25.24 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.835 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.06 -156.94 24.56 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.203 -0.759 . . . . 1.0 111.203 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.4 p -138.4 160.75 38.71 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.11 0.481 . . . . 1.0 111.366 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 27' ' ' PHE . 1.5 p -149.38 159.79 43.98 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.63 -0.714 . . . . 1.0 109.677 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -122.3 109.94 15.06 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.688 0.28 . . . . 1.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.6 mt -130.11 130.62 65.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.226 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.443 ' C ' ' H ' ' A' ' 25' ' ' ARG . 12.0 m120 56.79 34.46 24.72 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.192 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.44 -27.26 1.26 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.686 -0.565 . . . . 1.0 111.686 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.443 ' H ' ' C ' ' A' ' 23' ' ' ASN . 32.6 mmt180 -73.23 148.05 44.07 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.894 -0.409 . . . . 1.0 109.894 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.434 HG21 HD11 ' A' ' 26' ' ' ILE . 40.1 mm -85.28 108.55 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.679 -0.489 . . . . 1.0 109.679 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.494 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 2.8 m-85 -100.14 138.12 37.64 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.55 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.3 m -90.8 137.11 32.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.261 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.7 tp -78.04 101.06 6.76 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.592 -0.892 . . . . 1.0 108.592 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.5 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 0.1 OUTLIER -104.8 120.37 41.22 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.124 0.488 . . . . 1.0 111.199 -178.435 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.9 m -119.57 161.11 21.17 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.582 -0.735 . . . . 1.0 110.207 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.942 -1.028 . . . . 1.0 110.442 179.895 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.5 m . . . . . 0 N--CA 1.466 0.328 0 CA-C-O 120.988 0.423 . . . . 1.0 110.737 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -149.36 168.16 24.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.232 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.5 m -119.13 124.87 47.9 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.188 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -159.83 143.77 14.53 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 120.952 0.406 . . . . 1.0 111.71 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.1 m -60.27 -41.35 93.14 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.697 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.2 mtp85 -119.44 121.44 39.47 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.993 0.425 . . . . 1.0 110.934 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.4 m -106.66 136.17 46.93 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.267 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.522 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 3.4 mm? -85.57 -176.29 6.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.529 -0.76 . . . . 1.0 110.253 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -62.0 -42.39 99.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.649 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -59.85 -36.78 77.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.624 -0.262 . . . . 1.0 111.106 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -101.98 125.6 48.71 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.925 -0.398 . . . . 1.0 109.925 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.4 p -102.21 146.68 27.64 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.42 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 46.6 p-10 -87.83 139.8 30.15 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.87 0.367 . . . . 1.0 111.167 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.4 t -159.58 31.4 0.19 Allowed 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.361 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.0 -176.89 41.89 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.18 -0.768 . . . . 1.0 111.18 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.5 p -142.43 159.39 42.32 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.114 0.483 . . . . 1.0 111.449 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.88 154.31 39.29 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.544 -0.753 . . . . 1.0 109.742 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -107.02 105.59 15.69 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.477 -0.329 . . . . 1.0 111.219 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.2 mt -126.65 127.99 70.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 120.874 0.368 . . . . 1.0 110.35 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.48 ' C ' ' H ' ' A' ' 25' ' ' ARG . 15.8 m120 55.37 35.55 25.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.218 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.56 -26.84 1.31 Allowed Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.366 -0.694 . . . . 1.0 111.366 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.48 ' H ' ' C ' ' A' ' 23' ' ' ASN . 92.0 mtm-85 -75.6 148.87 38.46 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.944 -0.303 . . . . 1.0 110.192 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.0 mm -87.34 111.98 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.8 -0.445 . . . . 1.0 109.8 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -98.64 149.44 22.79 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.188 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.7 t -97.01 123.2 40.68 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.442 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.6 tp -76.8 98.01 4.7 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.834 -0.802 . . . . 1.0 108.834 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.8 m -95.21 149.49 21.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.19 0.519 . . . . 1.0 111.582 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 91.5 m -139.97 -177.07 4.82 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.247 -0.888 . . . . 1.0 110.134 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.095 -0.955 . . . . 1.0 110.422 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 99.2 m . . . . . 0 N--CA 1.465 0.289 0 CA-C-O 121.033 0.444 . . . . 1.0 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.522 ' CG ' ' H ' ' A' ' 6' ' ' CYS . 45.8 t-80 -154.41 172.44 17.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.766 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.522 ' H ' ' CG ' ' A' ' 5' ' ' HIS . 7.3 m -119.14 109.11 15.5 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.798 -0.637 . . . . 1.0 109.828 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -151.24 142.06 22.86 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.528 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.7 p -65.15 -36.73 85.16 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.553 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -121.97 125.53 46.54 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.976 0.417 . . . . 1.0 111.063 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 96.8 m -106.25 140.35 39.33 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.745 -0.661 . . . . 1.0 110.513 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.602 ' C ' ' H ' ' A' ' 13' ' ' ARG . 3.4 mm? -90.16 175.47 7.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.05 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -64.51 25.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.401 -0.363 . . . . 1.0 111.85 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.602 ' H ' ' C ' ' A' ' 11' ' ' LEU . 1.3 tpm_? -115.22 -25.09 8.19 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.451 0.167 . . . . 1.0 110.686 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -119.67 174.95 6.1 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.016 0.436 . . . . 1.0 110.666 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.1 t -137.33 146.27 44.38 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.839 -0.619 . . . . 1.0 109.849 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.53 ' ND2' ' OG ' ' A' ' 28' ' ' SER . 17.1 t-20 -70.73 111.96 6.59 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.008 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.7 m -99.61 -19.22 16.94 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.695 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 163.98 -172.81 39.92 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 120.884 -0.674 . . . . 1.0 111.499 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.6 p -82.91 169.72 15.74 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.859 0.361 . . . . 1.0 110.94 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.437 ' O ' ' O ' ' A' ' 27' ' ' PHE . 2.1 t -164.47 102.5 0.83 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.202 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -99.46 109.06 21.65 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.267 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.408 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 47.7 mt -131.78 129.83 61.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 109.071 -0.715 . . . . 1.0 109.071 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.43 ' C ' ' H ' ' A' ' 25' ' ' ARG . 20.2 t-20 58.61 36.71 25.23 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.783 0.325 . . . . 1.0 111.481 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.88 -19.74 2.02 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 121.017 -0.611 . . . . 1.0 111.869 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.43 ' H ' ' C ' ' A' ' 23' ' ' ASN . 0.7 OUTLIER -72.86 141.63 47.95 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.684 -0.407 . . . . 1.0 110.117 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.401 HG23 HD12 ' A' ' 26' ' ' ILE . 35.0 mm -89.48 86.88 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.529 -0.545 . . . . 1.0 109.529 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' CYS . 40.4 m-85 -97.41 154.8 17.23 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.927 0.394 . . . . 1.0 110.032 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.53 ' OG ' ' ND2' ' A' ' 16' ' ' ASN . 15.1 t -106.58 136.25 46.69 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.764 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.6 tp -76.01 99.31 4.54 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.414 -0.587 . . . . 1.0 109.414 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -98.46 139.87 33.55 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.728 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 71.4 m -139.72 -178.71 5.54 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.088 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.1 -0.952 . . . . 1.0 110.495 179.93 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 62.2 m . . . . . 0 N--CA 1.464 0.229 0 CA-C-O 120.505 0.193 . . . . 1.0 110.932 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.603 ' HD1' ' HE ' ' A' ' 7' ' ' ARG . 56.5 t-80 -148.87 169.42 20.57 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.955 -0.387 . . . . 1.0 109.955 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.456 ' N ' ' CG ' ' A' ' 5' ' ' HIS . 6.4 m -121.48 113.55 19.99 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.903 -0.406 . . . . 1.0 109.903 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.603 ' HE ' ' HD1' ' A' ' 5' ' ' HIS . 18.3 ptp180 -151.01 144.61 24.99 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.121 0.415 . . . . 1.0 112.121 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.3 p -59.78 -35.85 75.49 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.987 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -120.33 112.05 18.54 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.998 0.427 . . . . 1.0 110.676 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 62.1 m -101.42 124.36 46.97 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.22 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.421 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 9.8 mp -74.35 -176.32 2.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.481 -0.781 . . . . 1.0 109.898 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.99 -38.98 93.07 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 111.716 0.265 . . . . 1.0 111.716 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.9 ttt85 -58.74 -36.1 73.8 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.677 -0.238 . . . . 1.0 110.758 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 57.9 mp0 -103.62 108.92 20.39 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.649 0.262 . . . . 1.0 110.424 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.9 m -79.68 142.98 35.02 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.306 -0.407 . . . . 1.0 109.991 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -73.4 115.63 13.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.921 0.391 . . . . 1.0 111.14 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.403 ' OG ' ' N ' ' A' ' 18' ' ' GLY . 25.2 p -99.79 -54.64 2.86 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.403 ' N ' ' OG ' ' A' ' 17' ' ' SER . . . -153.87 -151.31 5.72 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 111.197 -0.761 . . . . 1.0 111.197 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.9 t -135.31 148.54 49.53 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.022 0.439 . . . . 1.0 111.291 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.79 156.0 49.63 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.743 -0.662 . . . . 1.0 109.718 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -120.8 113.89 20.82 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.782 0.325 . . . . 1.0 110.862 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.3 mt -130.45 129.61 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.3 m120 51.33 32.15 8.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.041 -0.527 . . . . 1.0 111.179 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.28 -26.76 3.81 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 111.711 -0.556 . . . . 1.0 111.711 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -69.74 137.97 52.43 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.728 -0.389 . . . . 1.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.3 mm -89.75 115.13 28.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.642 -0.503 . . . . 1.0 109.642 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -114.5 149.17 36.79 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.26 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 m -92.23 126.74 37.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.603 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.5 tp -80.76 107.19 13.35 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.602 -0.888 . . . . 1.0 108.602 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.0 m -118.23 146.68 44.08 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.204 0.525 . . . . 1.0 111.321 -178.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.2 m -128.91 -179.78 5.29 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.532 -0.758 . . . . 1.0 110.373 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.5 ttp85 . . . . . 0 C--O 1.218 -0.573 0 CA-C-O 118.106 -0.949 . . . . 1.0 110.471 179.925 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.406 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 3.3 m . . . . . 0 N--CA 1.467 0.394 0 CA-C-O 120.918 0.39 . . . . 1.0 110.947 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.509 ' CG ' ' H ' ' A' ' 6' ' ' CYS . 53.8 t-80 -148.6 173.38 13.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.714 -0.675 . . . . 1.0 109.734 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.509 ' H ' ' CG ' ' A' ' 5' ' ' HIS . 1.7 m -116.93 126.86 53.6 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.95 -0.389 . . . . 1.0 109.95 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -148.9 168.54 22.77 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.816 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.8 p -58.51 -44.45 89.46 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.387 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -147.29 138.05 23.56 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.853 0.358 . . . . 1.0 110.975 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.4 m -80.73 114.78 19.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.169 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.585 ' C ' ' H ' ' A' ' 13' ' ' ARG . 10.8 mp -70.05 167.48 17.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.823 -0.626 . . . . 1.0 109.906 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.93 22.62 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.588 -0.278 . . . . 1.0 111.747 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.585 ' H ' ' C ' ' A' ' 11' ' ' LEU . 99.8 mtt180 -118.12 -24.24 7.07 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.832 -0.167 . . . . 1.0 110.842 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -116.82 130.19 56.56 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.835 0.35 . . . . 1.0 110.48 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.3 m -76.24 141.79 41.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.309 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 40.3 p-10 -83.68 113.21 20.71 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.846 0.355 . . . . 1.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.9 p -98.8 -50.59 4.17 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -150.35 -142.99 3.65 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.322 -0.711 . . . . 1.0 111.322 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 p -153.76 162.63 41.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.96 0.41 . . . . 1.0 111.17 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 27' ' ' PHE . 1.5 p -145.33 137.91 25.98 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.782 -0.645 . . . . 1.0 109.567 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -92.54 107.25 19.07 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.315 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.436 ' C ' ' H ' ' A' ' 24' ' ' GLY . 96.3 mt -125.39 125.06 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 CA-C-O 120.91 0.386 . . . . 1.0 110.113 179.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.9 m120 53.89 9.57 0.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.074 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.436 ' H ' ' C ' ' A' ' 22' ' ' ILE . . . 76.14 16.13 80.92 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 121.029 -0.605 . . . . 1.0 111.599 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -91.72 1.78 56.93 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.863 0.363 . . . . 1.0 110.473 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.6 mm 55.32 92.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.043 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.509 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 2.5 m-85 -101.14 123.31 45.08 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.567 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.9 m -75.1 142.63 43.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.234 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.3 tp -92.58 91.84 7.75 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 108.749 -0.834 . . . . 1.0 108.749 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -95.71 138.98 32.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.883 -178.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 4' ' ' CYS . 6.8 t -149.68 169.32 21.29 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.645 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.008 -0.996 . . . . 1.0 110.361 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 75.2 m . . . . . 0 N--CA 1.463 0.21 0 CA-C-O 120.629 0.252 . . . . 1.0 110.657 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.471 ' CG ' ' H ' ' A' ' 6' ' ' CYS . 75.5 t60 -143.09 173.37 11.63 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 109.885 -0.413 . . . . 1.0 109.885 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.471 ' H ' ' CG ' ' A' ' 5' ' ' HIS . 2.0 m -119.94 112.66 19.46 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.886 -0.413 . . . . 1.0 109.886 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -149.08 141.7 24.43 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.129 0.418 . . . . 1.0 112.129 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.8 p -63.6 -40.0 95.8 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 116.035 -0.529 . . . . 1.0 112.077 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -119.49 123.21 43.46 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.059 0.457 . . . . 1.0 110.639 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.9 m -103.9 136.67 43.13 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.465 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.624 ' C ' ' H ' ' A' ' 13' ' ' ARG . 9.9 mp -78.04 166.04 23.29 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.543 -0.753 . . . . 1.0 109.778 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -63.61 23.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.718 0.266 . . . . 1.0 111.718 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.624 ' H ' ' C ' ' A' ' 11' ' ' LEU . 96.9 mtt180 -118.18 -26.92 6.21 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.819 -0.173 . . . . 1.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.543 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 55.1 mp0 -107.43 168.01 9.53 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.591 0.234 . . . . 1.0 110.491 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.0 t -136.24 141.74 43.96 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 110.017 -0.364 . . . . 1.0 110.017 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.461 ' ND2' ' OG ' ' A' ' 28' ' ' SER . 2.1 t-20 -75.71 121.42 22.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.964 0.412 . . . . 1.0 111.25 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.5 p -119.03 -0.78 11.06 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.4 ' H ' ' ND2' ' A' ' 16' ' ' ASN . . . 170.43 -165.56 38.82 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.207 -0.757 . . . . 1.0 111.207 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 p -136.94 161.38 36.19 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.023 0.44 . . . . 1.0 111.319 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 p -147.92 158.29 43.97 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.748 -0.66 . . . . 1.0 109.687 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -122.51 110.98 16.26 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.737 0.304 . . . . 1.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.8 mt -131.22 124.94 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 109.793 -0.447 . . . . 1.0 109.793 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.435 ' C ' ' H ' ' A' ' 25' ' ' ARG . 23.6 t-20 57.66 35.96 26.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.139 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.91 -23.66 1.69 Allowed Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.742 -0.543 . . . . 1.0 111.742 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.435 ' H ' ' C ' ' A' ' 23' ' ' ASN . 80.0 mtp85 -73.27 141.05 47.22 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.809 -0.441 . . . . 1.0 109.809 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.42 HG21 HD12 ' A' ' 26' ' ' ILE . 32.5 mm -92.18 115.24 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.601 -0.518 . . . . 1.0 109.601 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -113.15 150.25 32.47 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.205 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.461 ' OG ' ' ND2' ' A' ' 16' ' ' ASN . 7.5 t -98.07 125.89 43.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.682 -179.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.6 tp -68.81 99.85 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.463 -0.94 . . . . 1.0 108.463 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.56 132.75 44.69 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.225 0.536 . . . . 1.0 111.519 -178.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.8 m -124.87 163.41 22.28 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.604 -0.725 . . . . 1.0 110.336 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.139 -0.934 . . . . 1.0 110.399 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 85.0 m . . . . . 0 N--CA 1.463 0.18 0 CA-C-O 120.769 0.318 . . . . 1.0 110.561 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.419 ' CG ' ' N ' ' A' ' 6' ' ' CYS . 72.9 t60 -147.88 167.64 24.29 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.179 -0.464 . . . . 1.0 109.948 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.419 ' N ' ' CG ' ' A' ' 5' ' ' HIS . 2.4 m -119.21 126.6 51.92 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.849 -0.426 . . . . 1.0 109.849 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -157.05 147.31 21.1 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.062 0.393 . . . . 1.0 112.062 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.1 p -61.29 -35.2 76.68 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.044 -0.525 . . . . 1.0 112.037 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -124.5 132.36 53.48 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.97 0.414 . . . . 1.0 110.712 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.2 m -108.11 124.85 50.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.458 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.453 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 9.8 mp -80.14 -176.14 5.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.511 -0.768 . . . . 1.0 109.887 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -65.61 -37.94 88.04 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.736 0.273 . . . . 1.0 111.736 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -59.39 -34.68 72.73 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.734 -0.212 . . . . 1.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.554 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 56.8 mp0 -101.76 164.17 11.88 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.761 0.315 . . . . 1.0 110.387 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.6 m -133.84 142.54 47.87 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.025 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.413 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 46.7 p-10 -67.89 133.9 49.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.954 0.407 . . . . 1.0 111.244 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 63.2 p -161.48 84.37 0.63 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.882 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.36 173.5 38.61 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.131 -0.788 . . . . 1.0 111.131 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.2 t -133.61 145.28 49.87 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.075 0.464 . . . . 1.0 111.262 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -132.59 153.43 51.02 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.722 -0.672 . . . . 1.0 109.704 179.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -113.02 108.58 17.53 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.784 0.326 . . . . 1.0 110.754 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.2 mt -126.42 132.1 70.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 109.688 -0.486 . . . . 1.0 109.688 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.453 ' C ' ' H ' ' A' ' 25' ' ' ARG . 96.6 m-20 56.56 34.99 25.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.173 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.46 -30.09 1.21 Allowed Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.706 -0.558 . . . . 1.0 111.706 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.453 ' H ' ' C ' ' A' ' 23' ' ' ASN . 99.3 mtt180 -71.4 149.1 46.29 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.841 -0.429 . . . . 1.0 109.841 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.8 mm -84.24 107.49 15.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -98.92 148.23 24.17 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.233 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.6 m -100.26 128.53 46.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.596 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.3 tp -75.44 105.43 6.47 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 108.428 -0.952 . . . . 1.0 108.428 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.7 142.07 36.07 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.15 0.5 . . . . 1.0 111.459 -178.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 90.5 m -133.1 171.46 13.96 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.582 -0.735 . . . . 1.0 110.443 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 . . . . . 0 C--O 1.219 -0.55 0 CA-C-O 118.148 -0.93 . . . . 1.0 110.281 179.737 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 30' ' ' CYS . 5.0 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.687 0.28 . . . . 1.0 110.892 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.694 ' CG ' ' H ' ' A' ' 6' ' ' CYS . 84.3 t60 -154.89 179.77 8.79 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.987 -0.552 . . . . 1.0 109.836 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.694 ' H ' ' CG ' ' A' ' 5' ' ' HIS . 2.0 m -119.3 131.6 55.77 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 110.022 -0.362 . . . . 1.0 110.022 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -152.09 154.44 35.91 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.052 0.39 . . . . 1.0 112.052 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.412 ' OG ' ' CE1' ' A' ' 27' ' ' PHE . 49.3 m -59.02 -42.32 89.88 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.662 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -126.3 131.09 51.94 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.924 0.392 . . . . 1.0 110.61 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.2 m -108.4 123.31 48.66 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.319 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.511 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 8.3 mp -81.82 -178.61 7.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.649 -0.705 . . . . 1.0 109.949 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -62.06 -38.06 87.36 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.734 0.272 . . . . 1.0 111.734 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.421 HH21 ' NH2' ' A' ' 32' ' ' ARG . 83.3 mtp180 -58.05 -32.36 67.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 57.6 mp0 -107.56 116.5 32.05 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.693 0.282 . . . . 1.0 110.543 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.0 m -86.21 140.72 29.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.153 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.418 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 10.4 p30 -78.19 115.23 17.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.897 0.379 . . . . 1.0 110.775 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 71.2 m -104.32 -19.42 14.09 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.046 -0.525 . . . . 1.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.47 -161.92 25.78 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.198 -0.761 . . . . 1.0 111.198 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.5 t -136.02 145.88 46.55 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.077 0.465 . . . . 1.0 111.213 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.432 ' O ' ' O ' ' A' ' 27' ' ' PHE . 1.2 p -132.23 144.36 50.57 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.704 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -104.92 107.48 18.47 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.476 -0.329 . . . . 1.0 111.068 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.507 ' C ' ' H ' ' A' ' 24' ' ' GLY . 44.0 mt -124.94 128.58 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 109.344 -0.613 . . . . 1.0 109.344 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 57.6 t30 56.77 3.29 0.12 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.024 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' A' ' 22' ' ' ILE . . . 79.87 16.87 76.23 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 121.09 -0.576 . . . . 1.0 111.749 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.3 mmm-85 -92.81 7.19 44.78 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 122.611 -0.347 . . . . 1.0 110.18 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.4 mm 54.85 88.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.804 -0.443 . . . . 1.0 109.804 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.432 ' O ' ' O ' ' A' ' 20' ' ' CYS . 2.3 m-85 -101.9 134.14 45.57 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.464 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.7 m -85.31 137.76 32.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.435 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.5 tp -94.05 110.82 22.5 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.318 -0.993 . . . . 1.0 108.318 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.525 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 22.4 m -125.56 142.16 51.65 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.303 0.573 . . . . 1.0 111.206 -178.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.8 m -122.84 169.55 11.0 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.367 -0.833 . . . . 1.0 110.695 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.421 ' NH2' HH21 ' A' ' 13' ' ' ARG . 85.1 mtp180 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.932 -1.033 . . . . 1.0 110.263 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.4 -0.593 . . . . 1.0 109.4 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 -73.41 153.36 40.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.607 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.507 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 23.0 m -61.2 98.92 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.344 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.1 m -129.23 159.95 34.48 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.593 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' A' ' 6' ' ' CYS . 40.9 t-80 -153.68 169.26 23.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.976 -0.556 . . . . 1.0 109.852 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.466 ' N ' ' CG ' ' A' ' 5' ' ' HIS . 1.6 m -118.8 127.24 53.34 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.517 -0.31 . . . . 1.0 110.192 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.432 ' HE ' ' HD1' ' A' ' 5' ' ' HIS . 16.9 ptp180 -158.05 150.39 22.23 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.001 0.371 . . . . 1.0 112.001 -179.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.1 m -60.12 -41.11 91.91 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.947 -0.57 . . . . 1.0 111.783 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.7 ptt-85 -118.71 120.64 38.02 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.075 0.464 . . . . 1.0 110.809 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 93.9 m -107.71 125.67 51.66 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.481 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.503 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 8.2 mp -79.79 -177.3 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.239 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -62.14 -37.33 84.76 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 111.603 0.224 . . . . 1.0 111.603 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -61.25 -35.74 78.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.577 -0.283 . . . . 1.0 110.952 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 58.4 mp0 -105.58 104.12 13.77 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.907 0.384 . . . . 1.0 110.452 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.6 p -80.4 151.31 29.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.217 -0.447 . . . . 1.0 109.95 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.434 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 46.0 p-10 -71.07 120.46 16.68 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.907 0.384 . . . . 1.0 111.08 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.8 m -110.68 -22.15 11.74 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.08 -0.509 . . . . 1.0 111.037 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.93 -160.69 25.3 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.246 -0.742 . . . . 1.0 111.246 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.4 t -133.21 147.01 52.0 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.087 0.47 . . . . 1.0 111.253 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.67 151.72 46.15 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.62 -0.718 . . . . 1.0 109.58 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 21' ' ' ASN . 9.5 p30 -116.64 111.08 19.35 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.464 -0.334 . . . . 1.0 111.114 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.4 mt -126.78 130.03 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-N 116.316 -0.402 . . . . 1.0 109.989 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.456 ' C ' ' H ' ' A' ' 25' ' ' ARG . 13.2 m120 56.93 34.62 25.16 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.225 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.63 -25.62 1.41 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.576 -0.61 . . . . 1.0 111.576 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.456 ' H ' ' C ' ' A' ' 23' ' ' ASN . 95.8 mtt-85 -72.9 145.06 47.12 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.883 -0.414 . . . . 1.0 109.883 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.8 mm -82.91 110.24 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.768 -0.373 . . . . 1.0 110.159 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -101.44 148.28 25.36 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.364 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -103.01 124.53 48.68 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.379 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.7 tp -80.56 94.05 6.2 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 108.239 -1.023 . . . . 1.0 108.239 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 53.2 m -105.1 143.61 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.046 -0.525 . . . . 1.0 111.464 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 3' ' ' THR . 4.0 t -142.86 -178.75 5.96 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.402 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.6 ttt85 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.995 -1.003 . . . . 1.0 110.213 179.812 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.473 -0.566 . . . . 1.0 109.473 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 -73.89 145.0 45.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.493 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.8 p -99.6 119.51 38.19 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.434 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.445 ' SG ' ' O ' ' A' ' 30' ' ' CYS . 11.1 t -160.29 151.34 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.689 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.533 ' ND1' ' H ' ' A' ' 6' ' ' CYS . 54.3 t-80 -139.13 174.5 10.45 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 109.919 -0.401 . . . . 1.0 109.919 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.533 ' H ' ' ND1' ' A' ' 5' ' ' HIS . 1.7 m -119.11 136.13 54.31 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.905 -0.406 . . . . 1.0 109.905 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -157.49 149.85 22.73 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.219 0.451 . . . . 1.0 112.219 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.1 m -60.24 -43.53 96.01 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.714 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -122.09 140.69 52.22 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.954 0.407 . . . . 1.0 110.511 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.1 m -114.59 128.2 56.19 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.486 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.607 ' C ' ' H ' ' A' ' 13' ' ' ARG . 9.8 mp -80.75 164.09 23.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.607 -0.724 . . . . 1.0 109.866 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -63.43 25.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.883 0.327 . . . . 1.0 111.883 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.607 ' H ' ' C ' ' A' ' 11' ' ' LEU . 42.5 ttm180 -115.28 -29.21 6.66 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 110.665 -0.124 . . . . 1.0 110.665 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.537 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 54.4 mp0 -104.82 173.91 6.1 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.747 0.308 . . . . 1.0 110.377 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.1 t -137.37 139.42 40.76 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.233 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -76.64 124.96 28.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.005 0.431 . . . . 1.0 111.069 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.0 t -121.25 -1.6 9.7 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.849 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.68 -166.01 38.58 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.124 -0.79 . . . . 1.0 111.124 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.8 m -131.95 151.71 51.55 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.065 0.46 . . . . 1.0 111.259 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -143.7 151.27 39.85 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.585 -0.734 . . . . 1.0 109.669 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.9 p-10 -116.04 110.93 19.58 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.584 -0.28 . . . . 1.0 111.223 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.9 mt -127.28 131.58 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.092 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.485 ' C ' ' H ' ' A' ' 25' ' ' ARG . 13.1 m120 56.56 34.97 25.32 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.29 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.24 -26.25 0.84 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.469 -0.652 . . . . 1.0 111.469 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.485 ' H ' ' C ' ' A' ' 23' ' ' ASN . 84.4 mtt85 -73.81 142.13 46.18 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.673 -0.411 . . . . 1.0 109.9 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.429 HG21 HD12 ' A' ' 26' ' ' ILE . 35.6 mm -75.11 117.46 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.659 -0.497 . . . . 1.0 109.659 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -111.8 142.78 43.74 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.289 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.8 m -99.88 139.19 35.9 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.39 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.3 tp -81.59 102.73 10.82 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.829 -0.804 . . . . 1.0 108.829 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 0.1 OUTLIER -103.38 120.37 40.66 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.18 0.514 . . . . 1.0 111.051 -178.47 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.6 m -116.1 165.97 12.53 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.597 -0.729 . . . . 1.0 110.4 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 . . . . . 0 C--O 1.219 -0.529 0 CA-C-O 118.106 -0.95 . . . . 1.0 110.463 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.586 -0.524 . . . . 1.0 109.586 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -67.6 139.12 56.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.501 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 90.2 m -120.59 131.15 54.5 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.476 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 30' ' ' CYS . 15.0 t -147.67 167.71 23.91 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.659 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.473 ' ND1' ' N ' ' A' ' 6' ' ' CYS . 57.6 t-80 -152.32 168.88 23.98 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.882 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.473 ' N ' ' ND1' ' A' ' 5' ' ' HIS . 1.1 m -118.85 130.65 55.87 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 110.087 -0.338 . . . . 1.0 110.087 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -153.28 149.34 27.81 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.141 0.422 . . . . 1.0 112.141 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.0 m -61.23 -44.54 97.09 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.068 -0.515 . . . . 1.0 111.948 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.9 mtp85 -122.24 134.01 54.7 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.924 0.392 . . . . 1.0 110.814 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.5 m -110.41 139.08 45.96 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.715 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.61 ' C ' ' H ' ' A' ' 13' ' ' ARG . 3.6 mm? -92.59 170.26 9.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.627 -0.715 . . . . 1.0 110.1 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -64.08 25.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.755 0.28 . . . . 1.0 111.755 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.61 ' H ' ' C ' ' A' ' 11' ' ' LEU . 96.4 mtt180 -117.47 -24.99 7.12 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.471 0.177 . . . . 1.0 111.081 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 55.5 mp0 -113.03 166.13 11.71 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.731 0.301 . . . . 1.0 110.577 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.8 t -131.24 138.61 49.42 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.109 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -77.73 110.74 12.85 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.922 0.391 . . . . 1.0 111.088 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.1 p -102.72 -4.29 25.24 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.835 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.06 -156.94 24.56 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.203 -0.759 . . . . 1.0 111.203 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.4 p -138.4 160.75 38.71 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.11 0.481 . . . . 1.0 111.366 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 27' ' ' PHE . 1.5 p -149.38 159.79 43.98 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.63 -0.714 . . . . 1.0 109.677 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -122.3 109.94 15.06 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.688 0.28 . . . . 1.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.6 mt -130.11 130.62 65.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.226 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.443 ' C ' ' H ' ' A' ' 25' ' ' ARG . 12.0 m120 56.79 34.46 24.72 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.192 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.44 -27.26 1.26 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.686 -0.565 . . . . 1.0 111.686 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.443 ' H ' ' C ' ' A' ' 23' ' ' ASN . 32.6 mmt180 -73.23 148.05 44.07 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.894 -0.409 . . . . 1.0 109.894 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.434 HG21 HD11 ' A' ' 26' ' ' ILE . 40.1 mm -85.28 108.55 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.679 -0.489 . . . . 1.0 109.679 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.494 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 2.8 m-85 -100.14 138.12 37.64 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.55 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.3 m -90.8 137.11 32.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.261 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.7 tp -78.04 101.06 6.76 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.592 -0.892 . . . . 1.0 108.592 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.5 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 0.1 OUTLIER -104.8 120.37 41.22 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.124 0.488 . . . . 1.0 111.199 -178.435 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.9 m -119.57 161.11 21.17 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.582 -0.735 . . . . 1.0 110.207 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.942 -1.028 . . . . 1.0 110.442 179.895 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.154 -0.684 . . . . 1.0 109.154 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -61.24 -43.67 98.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.579 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.462 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 94.6 m -91.55 126.61 36.7 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.595 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.462 ' SG ' ' O ' ' A' ' 3' ' ' THR . 98.5 m -154.18 159.8 41.57 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.737 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -149.36 168.16 24.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.232 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.5 m -119.13 124.87 47.9 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.188 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -159.83 143.77 14.53 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 120.952 0.406 . . . . 1.0 111.71 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.1 m -60.27 -41.35 93.14 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.697 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.2 mtp85 -119.44 121.44 39.47 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.993 0.425 . . . . 1.0 110.934 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.4 m -106.66 136.17 46.93 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.267 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.522 ' N ' ' CD2' ' A' ' 11' ' ' LEU . 3.4 mm? -85.57 -176.29 6.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.529 -0.76 . . . . 1.0 110.253 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -62.0 -42.39 99.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.649 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -59.85 -36.78 77.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.624 -0.262 . . . . 1.0 111.106 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -101.98 125.6 48.71 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.925 -0.398 . . . . 1.0 109.925 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.4 p -102.21 146.68 27.64 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.42 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 46.6 p-10 -87.83 139.8 30.15 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.87 0.367 . . . . 1.0 111.167 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.4 t -159.58 31.4 0.19 Allowed 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.361 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.0 -176.89 41.89 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.18 -0.768 . . . . 1.0 111.18 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.5 p -142.43 159.39 42.32 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.114 0.483 . . . . 1.0 111.449 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.88 154.31 39.29 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.544 -0.753 . . . . 1.0 109.742 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -107.02 105.59 15.69 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.477 -0.329 . . . . 1.0 111.219 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.2 mt -126.65 127.99 70.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 120.874 0.368 . . . . 1.0 110.35 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.48 ' C ' ' H ' ' A' ' 25' ' ' ARG . 15.8 m120 55.37 35.55 25.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.218 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.56 -26.84 1.31 Allowed Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.366 -0.694 . . . . 1.0 111.366 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.48 ' H ' ' C ' ' A' ' 23' ' ' ASN . 92.0 mtm-85 -75.6 148.87 38.46 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.944 -0.303 . . . . 1.0 110.192 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.0 mm -87.34 111.98 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.8 -0.445 . . . . 1.0 109.8 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -98.64 149.44 22.79 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.188 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.7 t -97.01 123.2 40.68 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.442 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.6 tp -76.8 98.01 4.7 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.834 -0.802 . . . . 1.0 108.834 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.8 m -95.21 149.49 21.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.19 0.519 . . . . 1.0 111.582 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 91.5 m -139.97 -177.07 4.82 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.247 -0.888 . . . . 1.0 110.134 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.095 -0.955 . . . . 1.0 110.422 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.5 -0.556 . . . . 1.0 109.5 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -72.14 145.22 48.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.033 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.488 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 92.4 m -118.31 125.86 50.94 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.21 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 3' ' ' THR . 99.2 m -154.88 164.43 38.85 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.033 0.444 . . . . 1.0 110.885 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.522 ' CG ' ' H ' ' A' ' 6' ' ' CYS . 45.8 t-80 -154.41 172.44 17.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.766 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.522 ' H ' ' CG ' ' A' ' 5' ' ' HIS . 7.3 m -119.14 109.11 15.5 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.798 -0.637 . . . . 1.0 109.828 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -151.24 142.06 22.86 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.528 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.7 p -65.15 -36.73 85.16 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.553 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -121.97 125.53 46.54 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.976 0.417 . . . . 1.0 111.063 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 96.8 m -106.25 140.35 39.33 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.745 -0.661 . . . . 1.0 110.513 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.602 ' C ' ' H ' ' A' ' 13' ' ' ARG . 3.4 mm? -90.16 175.47 7.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.05 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -64.51 25.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.401 -0.363 . . . . 1.0 111.85 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.602 ' H ' ' C ' ' A' ' 11' ' ' LEU . 1.3 tpm_? -115.22 -25.09 8.19 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.451 0.167 . . . . 1.0 110.686 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -119.67 174.95 6.1 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.016 0.436 . . . . 1.0 110.666 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.1 t -137.33 146.27 44.38 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.839 -0.619 . . . . 1.0 109.849 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.53 ' ND2' ' OG ' ' A' ' 28' ' ' SER . 17.1 t-20 -70.73 111.96 6.59 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.008 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.7 m -99.61 -19.22 16.94 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.695 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 163.98 -172.81 39.92 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 120.884 -0.674 . . . . 1.0 111.499 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.6 p -82.91 169.72 15.74 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.859 0.361 . . . . 1.0 110.94 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.437 ' O ' ' O ' ' A' ' 27' ' ' PHE . 2.1 t -164.47 102.5 0.83 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.202 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -99.46 109.06 21.65 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.267 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.408 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 47.7 mt -131.78 129.83 61.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 109.071 -0.715 . . . . 1.0 109.071 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.43 ' C ' ' H ' ' A' ' 25' ' ' ARG . 20.2 t-20 58.61 36.71 25.23 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.783 0.325 . . . . 1.0 111.481 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.88 -19.74 2.02 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 121.017 -0.611 . . . . 1.0 111.869 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.43 ' H ' ' C ' ' A' ' 23' ' ' ASN . 0.7 OUTLIER -72.86 141.63 47.95 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.684 -0.407 . . . . 1.0 110.117 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.401 HG23 HD12 ' A' ' 26' ' ' ILE . 35.0 mm -89.48 86.88 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.529 -0.545 . . . . 1.0 109.529 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' CYS . 40.4 m-85 -97.41 154.8 17.23 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.927 0.394 . . . . 1.0 110.032 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.53 ' OG ' ' ND2' ' A' ' 16' ' ' ASN . 15.1 t -106.58 136.25 46.69 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.764 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.6 tp -76.01 99.31 4.54 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.414 -0.587 . . . . 1.0 109.414 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -98.46 139.87 33.55 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.728 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 71.4 m -139.72 -178.71 5.54 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.088 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.1 -0.952 . . . . 1.0 110.495 179.93 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.533 -0.543 . . . . 1.0 109.533 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -79.88 147.97 31.5 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.628 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.488 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 55.8 p -73.5 135.08 44.01 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.55 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 3' ' ' THR . 62.2 m -153.8 164.85 37.65 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.932 179.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.603 ' HD1' ' HE ' ' A' ' 7' ' ' ARG . 56.5 t-80 -148.87 169.42 20.57 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.955 -0.387 . . . . 1.0 109.955 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.456 ' N ' ' CG ' ' A' ' 5' ' ' HIS . 6.4 m -121.48 113.55 19.99 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.903 -0.406 . . . . 1.0 109.903 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.603 ' HE ' ' HD1' ' A' ' 5' ' ' HIS . 18.3 ptp180 -151.01 144.61 24.99 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.121 0.415 . . . . 1.0 112.121 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.3 p -59.78 -35.85 75.49 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.987 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -120.33 112.05 18.54 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.998 0.427 . . . . 1.0 110.676 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 62.1 m -101.42 124.36 46.97 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.22 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.421 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 9.8 mp -74.35 -176.32 2.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.481 -0.781 . . . . 1.0 109.898 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.99 -38.98 93.07 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 111.716 0.265 . . . . 1.0 111.716 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.9 ttt85 -58.74 -36.1 73.8 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.677 -0.238 . . . . 1.0 110.758 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 57.9 mp0 -103.62 108.92 20.39 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.649 0.262 . . . . 1.0 110.424 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.9 m -79.68 142.98 35.02 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.306 -0.407 . . . . 1.0 109.991 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -73.4 115.63 13.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.921 0.391 . . . . 1.0 111.14 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.403 ' OG ' ' N ' ' A' ' 18' ' ' GLY . 25.2 p -99.79 -54.64 2.86 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.403 ' N ' ' OG ' ' A' ' 17' ' ' SER . . . -153.87 -151.31 5.72 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 111.197 -0.761 . . . . 1.0 111.197 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.9 t -135.31 148.54 49.53 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.022 0.439 . . . . 1.0 111.291 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.79 156.0 49.63 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.743 -0.662 . . . . 1.0 109.718 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -120.8 113.89 20.82 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.782 0.325 . . . . 1.0 110.862 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.3 mt -130.45 129.61 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.3 m120 51.33 32.15 8.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.041 -0.527 . . . . 1.0 111.179 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.28 -26.76 3.81 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 111.711 -0.556 . . . . 1.0 111.711 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -69.74 137.97 52.43 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.728 -0.389 . . . . 1.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.3 mm -89.75 115.13 28.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.642 -0.503 . . . . 1.0 109.642 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -114.5 149.17 36.79 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.26 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 m -92.23 126.74 37.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.603 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.5 tp -80.76 107.19 13.35 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.602 -0.888 . . . . 1.0 108.602 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.0 m -118.23 146.68 44.08 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.204 0.525 . . . . 1.0 111.321 -178.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.2 m -128.91 -179.78 5.29 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.532 -0.758 . . . . 1.0 110.373 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.5 ttp85 . . . . . 0 C--O 1.218 -0.573 0 CA-C-O 118.106 -0.949 . . . . 1.0 110.471 179.925 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -100.86 101.71 12.6 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.494 ' OG1' ' N ' ' A' ' 4' ' ' CYS . 6.0 t -174.85 -141.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.391 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.494 ' N ' ' OG1' ' A' ' 3' ' ' THR . 3.3 m -98.55 136.05 39.21 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.918 0.39 . . . . 1.0 110.947 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.509 ' CG ' ' H ' ' A' ' 6' ' ' CYS . 53.8 t-80 -148.6 173.38 13.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.714 -0.675 . . . . 1.0 109.734 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.509 ' H ' ' CG ' ' A' ' 5' ' ' HIS . 1.7 m -116.93 126.86 53.6 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.95 -0.389 . . . . 1.0 109.95 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -148.9 168.54 22.77 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.816 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.8 p -58.51 -44.45 89.46 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.387 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -147.29 138.05 23.56 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.853 0.358 . . . . 1.0 110.975 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.4 m -80.73 114.78 19.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.169 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.585 ' C ' ' H ' ' A' ' 13' ' ' ARG . 10.8 mp -70.05 167.48 17.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.823 -0.626 . . . . 1.0 109.906 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.93 22.62 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.588 -0.278 . . . . 1.0 111.747 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.585 ' H ' ' C ' ' A' ' 11' ' ' LEU . 99.8 mtt180 -118.12 -24.24 7.07 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.832 -0.167 . . . . 1.0 110.842 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -116.82 130.19 56.56 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.835 0.35 . . . . 1.0 110.48 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.3 m -76.24 141.79 41.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.309 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 40.3 p-10 -83.68 113.21 20.71 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.846 0.355 . . . . 1.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.9 p -98.8 -50.59 4.17 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -150.35 -142.99 3.65 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.322 -0.711 . . . . 1.0 111.322 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 p -153.76 162.63 41.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.96 0.41 . . . . 1.0 111.17 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 27' ' ' PHE . 1.5 p -145.33 137.91 25.98 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.782 -0.645 . . . . 1.0 109.567 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -92.54 107.25 19.07 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.315 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.436 ' C ' ' H ' ' A' ' 24' ' ' GLY . 96.3 mt -125.39 125.06 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 CA-C-O 120.91 0.386 . . . . 1.0 110.113 179.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.9 m120 53.89 9.57 0.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.074 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.436 ' H ' ' C ' ' A' ' 22' ' ' ILE . . . 76.14 16.13 80.92 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 121.029 -0.605 . . . . 1.0 111.599 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -91.72 1.78 56.93 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.863 0.363 . . . . 1.0 110.473 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.6 mm 55.32 92.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.043 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.509 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 2.5 m-85 -101.14 123.31 45.08 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.567 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.9 m -75.1 142.63 43.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.234 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.3 tp -92.58 91.84 7.75 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 108.749 -0.834 . . . . 1.0 108.749 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -95.71 138.98 32.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.883 -178.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 4' ' ' CYS . 6.8 t -149.68 169.32 21.29 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.645 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.008 -0.996 . . . . 1.0 110.361 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.405 ' H3 ' ' H ' ' A' ' 2' ' ' ARG . 18.5 ptp180 . . . . . 0 N--CA 1.488 1.475 0 N-CA-C 109.516 -0.55 . . . . 1.0 109.516 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.405 ' H ' ' H3 ' ' A' ' 1' ' ' ARG . 89.8 mtm-85 -65.36 -39.75 92.72 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.534 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 86.7 m -89.11 132.51 34.77 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.481 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 75.2 m -146.53 156.75 43.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.657 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.471 ' CG ' ' H ' ' A' ' 6' ' ' CYS . 75.5 t60 -143.09 173.37 11.63 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 109.885 -0.413 . . . . 1.0 109.885 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.471 ' H ' ' CG ' ' A' ' 5' ' ' HIS . 2.0 m -119.94 112.66 19.46 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.886 -0.413 . . . . 1.0 109.886 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -149.08 141.7 24.43 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.129 0.418 . . . . 1.0 112.129 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.8 p -63.6 -40.0 95.8 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 116.035 -0.529 . . . . 1.0 112.077 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -119.49 123.21 43.46 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.059 0.457 . . . . 1.0 110.639 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.9 m -103.9 136.67 43.13 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.465 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.624 ' C ' ' H ' ' A' ' 13' ' ' ARG . 9.9 mp -78.04 166.04 23.29 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.543 -0.753 . . . . 1.0 109.778 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -63.61 23.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.718 0.266 . . . . 1.0 111.718 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.624 ' H ' ' C ' ' A' ' 11' ' ' LEU . 96.9 mtt180 -118.18 -26.92 6.21 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.819 -0.173 . . . . 1.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.543 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 55.1 mp0 -107.43 168.01 9.53 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.591 0.234 . . . . 1.0 110.491 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.0 t -136.24 141.74 43.96 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 110.017 -0.364 . . . . 1.0 110.017 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.461 ' ND2' ' OG ' ' A' ' 28' ' ' SER . 2.1 t-20 -75.71 121.42 22.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.964 0.412 . . . . 1.0 111.25 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.5 p -119.03 -0.78 11.06 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.4 ' H ' ' ND2' ' A' ' 16' ' ' ASN . . . 170.43 -165.56 38.82 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.207 -0.757 . . . . 1.0 111.207 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 p -136.94 161.38 36.19 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.023 0.44 . . . . 1.0 111.319 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 p -147.92 158.29 43.97 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.748 -0.66 . . . . 1.0 109.687 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -122.51 110.98 16.26 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.737 0.304 . . . . 1.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.8 mt -131.22 124.94 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 109.793 -0.447 . . . . 1.0 109.793 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.435 ' C ' ' H ' ' A' ' 25' ' ' ARG . 23.6 t-20 57.66 35.96 26.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.139 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.91 -23.66 1.69 Allowed Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.742 -0.543 . . . . 1.0 111.742 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.435 ' H ' ' C ' ' A' ' 23' ' ' ASN . 80.0 mtp85 -73.27 141.05 47.22 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.809 -0.441 . . . . 1.0 109.809 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.42 HG21 HD12 ' A' ' 26' ' ' ILE . 32.5 mm -92.18 115.24 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.601 -0.518 . . . . 1.0 109.601 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -113.15 150.25 32.47 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.205 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.461 ' OG ' ' ND2' ' A' ' 16' ' ' ASN . 7.5 t -98.07 125.89 43.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.682 -179.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.6 tp -68.81 99.85 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.463 -0.94 . . . . 1.0 108.463 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.56 132.75 44.69 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.225 0.536 . . . . 1.0 111.519 -178.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.8 m -124.87 163.41 22.28 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.604 -0.725 . . . . 1.0 110.336 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.139 -0.934 . . . . 1.0 110.399 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 52.0 ptt85 . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.566 -0.531 . . . . 1.0 109.566 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 32.1 ptt-85 -148.12 170.21 18.31 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.557 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 92.9 m -118.45 127.97 54.16 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.559 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 85.0 m -148.48 159.24 44.24 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.561 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.419 ' CG ' ' N ' ' A' ' 6' ' ' CYS . 72.9 t60 -147.88 167.64 24.29 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.179 -0.464 . . . . 1.0 109.948 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.419 ' N ' ' CG ' ' A' ' 5' ' ' HIS . 2.4 m -119.21 126.6 51.92 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.849 -0.426 . . . . 1.0 109.849 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -157.05 147.31 21.1 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.062 0.393 . . . . 1.0 112.062 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.1 p -61.29 -35.2 76.68 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.044 -0.525 . . . . 1.0 112.037 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -124.5 132.36 53.48 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.97 0.414 . . . . 1.0 110.712 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.2 m -108.11 124.85 50.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.458 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.453 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 9.8 mp -80.14 -176.14 5.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.511 -0.768 . . . . 1.0 109.887 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -65.61 -37.94 88.04 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.736 0.273 . . . . 1.0 111.736 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -59.39 -34.68 72.73 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.734 -0.212 . . . . 1.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.554 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 56.8 mp0 -101.76 164.17 11.88 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.761 0.315 . . . . 1.0 110.387 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.6 m -133.84 142.54 47.87 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.025 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.413 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 46.7 p-10 -67.89 133.9 49.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.954 0.407 . . . . 1.0 111.244 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 63.2 p -161.48 84.37 0.63 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.882 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.36 173.5 38.61 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.131 -0.788 . . . . 1.0 111.131 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.2 t -133.61 145.28 49.87 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.075 0.464 . . . . 1.0 111.262 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -132.59 153.43 51.02 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.722 -0.672 . . . . 1.0 109.704 179.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -113.02 108.58 17.53 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.784 0.326 . . . . 1.0 110.754 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.2 mt -126.42 132.1 70.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 109.688 -0.486 . . . . 1.0 109.688 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.453 ' C ' ' H ' ' A' ' 25' ' ' ARG . 96.6 m-20 56.56 34.99 25.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.173 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.46 -30.09 1.21 Allowed Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.706 -0.558 . . . . 1.0 111.706 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.453 ' H ' ' C ' ' A' ' 23' ' ' ASN . 99.3 mtt180 -71.4 149.1 46.29 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.841 -0.429 . . . . 1.0 109.841 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.8 mm -84.24 107.49 15.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -98.92 148.23 24.17 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.233 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.6 m -100.26 128.53 46.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.596 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.3 tp -75.44 105.43 6.47 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 108.428 -0.952 . . . . 1.0 108.428 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.7 142.07 36.07 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.15 0.5 . . . . 1.0 111.459 -178.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 90.5 m -133.1 171.46 13.96 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.582 -0.735 . . . . 1.0 110.443 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 . . . . . 0 C--O 1.219 -0.55 0 CA-C-O 118.148 -0.93 . . . . 1.0 110.281 179.737 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.514 -0.55 . . . . 1.0 109.514 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 83.9 mtm-85 42.1 27.86 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.651 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.2 p -147.99 -60.86 0.26 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.371 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 30' ' ' CYS . 5.0 t -170.24 150.71 3.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.892 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.694 ' CG ' ' H ' ' A' ' 6' ' ' CYS . 84.3 t60 -154.89 179.77 8.79 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.987 -0.552 . . . . 1.0 109.836 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.694 ' H ' ' CG ' ' A' ' 5' ' ' HIS . 2.0 m -119.3 131.6 55.77 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 110.022 -0.362 . . . . 1.0 110.022 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -152.09 154.44 35.91 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.052 0.39 . . . . 1.0 112.052 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.412 ' OG ' ' CE1' ' A' ' 27' ' ' PHE . 49.3 m -59.02 -42.32 89.88 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.662 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -126.3 131.09 51.94 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.924 0.392 . . . . 1.0 110.61 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.2 m -108.4 123.31 48.66 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.319 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.511 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 8.3 mp -81.82 -178.61 7.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.649 -0.705 . . . . 1.0 109.949 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -62.06 -38.06 87.36 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.734 0.272 . . . . 1.0 111.734 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.421 HH21 ' NH2' ' A' ' 32' ' ' ARG . 83.3 mtp180 -58.05 -32.36 67.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 57.6 mp0 -107.56 116.5 32.05 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.693 0.282 . . . . 1.0 110.543 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.0 m -86.21 140.72 29.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.153 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.418 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 10.4 p30 -78.19 115.23 17.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.897 0.379 . . . . 1.0 110.775 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 71.2 m -104.32 -19.42 14.09 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.046 -0.525 . . . . 1.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.47 -161.92 25.78 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.198 -0.761 . . . . 1.0 111.198 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.5 t -136.02 145.88 46.55 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.077 0.465 . . . . 1.0 111.213 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.432 ' O ' ' O ' ' A' ' 27' ' ' PHE . 1.2 p -132.23 144.36 50.57 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.704 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -104.92 107.48 18.47 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.476 -0.329 . . . . 1.0 111.068 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.507 ' C ' ' H ' ' A' ' 24' ' ' GLY . 44.0 mt -124.94 128.58 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 109.344 -0.613 . . . . 1.0 109.344 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 57.6 t30 56.77 3.29 0.12 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.024 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' A' ' 22' ' ' ILE . . . 79.87 16.87 76.23 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 121.09 -0.576 . . . . 1.0 111.749 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.3 mmm-85 -92.81 7.19 44.78 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 122.611 -0.347 . . . . 1.0 110.18 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.4 mm 54.85 88.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.804 -0.443 . . . . 1.0 109.804 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.432 ' O ' ' O ' ' A' ' 20' ' ' CYS . 2.3 m-85 -101.9 134.14 45.57 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.464 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.7 m -85.31 137.76 32.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.435 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.5 tp -94.05 110.82 22.5 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.318 -0.993 . . . . 1.0 108.318 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.525 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 22.4 m -125.56 142.16 51.65 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.303 0.573 . . . . 1.0 111.206 -178.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.8 m -122.84 169.55 11.0 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.367 -0.833 . . . . 1.0 110.695 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.421 ' NH2' HH21 ' A' ' 13' ' ' ARG . 85.1 mtp180 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.932 -1.033 . . . . 1.0 110.263 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.47 0.565 0 CA-C-O 120.813 0.339 . . . . 1.0 110.593 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' A' ' 6' ' ' CYS . 40.9 t-80 -153.68 169.26 23.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.976 -0.556 . . . . 1.0 109.852 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.466 ' N ' ' CG ' ' A' ' 5' ' ' HIS . 1.6 m -118.8 127.24 53.34 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.517 -0.31 . . . . 1.0 110.192 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -158.05 150.39 22.23 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.001 0.371 . . . . 1.0 112.001 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.1 m -60.12 -41.11 91.91 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.947 -0.57 . . . . 1.0 111.783 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.7 ptt-85 -118.71 120.64 38.02 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.075 0.464 . . . . 1.0 110.809 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 93.9 m -107.71 125.67 51.66 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.481 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.606 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.2 mp -79.79 -177.3 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.239 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -62.14 -37.33 84.76 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 111.603 0.224 . . . . 1.0 111.603 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -61.25 -35.74 78.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.577 -0.283 . . . . 1.0 110.952 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 58.4 mp0 -105.58 104.12 13.77 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.907 0.384 . . . . 1.0 110.452 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.6 p -80.4 151.31 29.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.217 -0.447 . . . . 1.0 109.95 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.434 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 46.0 p-10 -71.07 120.46 16.68 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.907 0.384 . . . . 1.0 111.08 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.8 m -110.68 -22.15 11.74 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.08 -0.509 . . . . 1.0 111.037 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.93 -160.69 25.3 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.246 -0.742 . . . . 1.0 111.246 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.4 t -133.21 147.01 52.0 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.087 0.47 . . . . 1.0 111.253 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.67 151.72 46.15 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.62 -0.718 . . . . 1.0 109.58 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 21' ' ' ASN . 9.5 p30 -116.64 111.08 19.35 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.464 -0.334 . . . . 1.0 111.114 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.4 mt -126.78 130.03 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-N 116.316 -0.402 . . . . 1.0 109.989 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.427 ' C ' ' H ' ' A' ' 25' ' ' ARG . 91.0 m-20 56.93 34.62 25.16 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.225 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.63 -25.62 1.41 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.576 -0.61 . . . . 1.0 111.576 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.427 ' H ' ' C ' ' A' ' 23' ' ' ASN . 95.8 mtt-85 -72.9 145.06 47.12 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.883 -0.414 . . . . 1.0 109.883 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.8 mm -82.91 110.24 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.768 -0.373 . . . . 1.0 110.159 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -101.44 148.28 25.36 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.364 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -103.01 124.53 48.68 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.379 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.7 tp -80.56 94.05 6.2 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 108.239 -1.023 . . . . 1.0 108.239 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 53.2 m -105.1 143.61 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.046 -0.525 . . . . 1.0 111.464 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.0 t -142.86 -178.75 5.96 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.402 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.6 ttt85 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.995 -1.003 . . . . 1.0 110.213 179.812 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.445 ' SG ' ' O ' ' A' ' 30' ' ' CYS . 11.1 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.685 0.278 . . . . 1.0 110.689 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.507 ' ND1' ' N ' ' A' ' 6' ' ' CYS . 54.3 t-80 -139.13 174.5 10.45 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 109.919 -0.401 . . . . 1.0 109.919 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.507 ' N ' ' ND1' ' A' ' 5' ' ' HIS . 1.7 m -119.11 136.13 54.31 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.905 -0.406 . . . . 1.0 109.905 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -157.49 149.85 22.73 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.219 0.451 . . . . 1.0 112.219 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.1 m -60.24 -43.53 96.01 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.714 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -122.09 140.69 52.22 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.954 0.407 . . . . 1.0 110.511 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.1 m -114.59 128.2 56.19 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.486 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.59 ' C ' ' H ' ' A' ' 13' ' ' ARG . 9.8 mp -80.75 164.09 23.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.607 -0.724 . . . . 1.0 109.866 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -63.43 25.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.883 0.327 . . . . 1.0 111.883 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.59 ' H ' ' C ' ' A' ' 11' ' ' LEU . 42.5 ttm180 -115.28 -29.21 6.66 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 110.665 -0.124 . . . . 1.0 110.665 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.537 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 54.4 mp0 -104.82 173.91 6.1 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.747 0.308 . . . . 1.0 110.377 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.1 t -137.37 139.42 40.76 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.233 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -76.64 124.96 28.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.005 0.431 . . . . 1.0 111.069 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.0 t -121.25 -1.6 9.7 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.849 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.68 -166.01 38.58 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.124 -0.79 . . . . 1.0 111.124 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.8 m -131.95 151.71 51.55 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.065 0.46 . . . . 1.0 111.259 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -143.7 151.27 39.85 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.585 -0.734 . . . . 1.0 109.669 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.9 p-10 -116.04 110.93 19.58 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.584 -0.28 . . . . 1.0 111.223 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.9 mt -127.28 131.58 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.092 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.464 ' C ' ' H ' ' A' ' 25' ' ' ARG . 95.0 m-20 56.56 34.97 25.32 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.29 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.24 -26.25 0.84 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.469 -0.652 . . . . 1.0 111.469 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.464 ' H ' ' C ' ' A' ' 23' ' ' ASN . 84.4 mtt85 -73.81 142.13 46.18 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.673 -0.411 . . . . 1.0 109.9 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.6 mm -75.11 117.46 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.659 -0.497 . . . . 1.0 109.659 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -111.8 142.78 43.74 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.289 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.8 m -99.88 139.19 35.9 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.39 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.3 tp -81.59 102.73 10.82 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.829 -0.804 . . . . 1.0 108.829 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 0.1 OUTLIER -103.38 120.37 40.66 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.18 0.514 . . . . 1.0 111.051 -178.47 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.6 m -116.1 165.97 12.53 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.597 -0.729 . . . . 1.0 110.4 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 . . . . . 0 C--O 1.219 -0.529 0 CA-C-O 118.106 -0.95 . . . . 1.0 110.463 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 30' ' ' CYS . 15.0 t . . . . . 0 N--CA 1.468 0.444 0 CA-C-O 120.807 0.337 . . . . 1.0 110.659 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.473 ' ND1' ' N ' ' A' ' 6' ' ' CYS . 57.6 t-80 -152.32 168.88 23.98 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.882 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.473 ' N ' ' ND1' ' A' ' 5' ' ' HIS . 1.1 m -118.85 130.65 55.87 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 110.087 -0.338 . . . . 1.0 110.087 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -153.28 149.34 27.81 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.141 0.422 . . . . 1.0 112.141 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.0 m -61.23 -44.54 97.09 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.068 -0.515 . . . . 1.0 111.948 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.9 mtp85 -122.24 134.01 54.7 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.924 0.392 . . . . 1.0 110.814 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.439 ' C ' HD22 ' A' ' 11' ' ' LEU . 66.5 m -110.41 139.08 45.96 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.715 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.679 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.6 mm? -92.59 170.26 9.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.627 -0.715 . . . . 1.0 110.1 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -64.08 25.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.755 0.28 . . . . 1.0 111.755 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.584 ' H ' ' C ' ' A' ' 11' ' ' LEU . 96.4 mtt180 -117.47 -24.99 7.12 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.471 0.177 . . . . 1.0 111.081 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 55.5 mp0 -113.03 166.13 11.71 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.731 0.301 . . . . 1.0 110.577 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.8 t -131.24 138.61 49.42 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.109 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -77.73 110.74 12.85 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.922 0.391 . . . . 1.0 111.088 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.1 p -102.72 -4.29 25.24 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.835 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.06 -156.94 24.56 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.203 -0.759 . . . . 1.0 111.203 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.4 p -138.4 160.75 38.71 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.11 0.481 . . . . 1.0 111.366 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 27' ' ' PHE . 1.5 p -149.38 159.79 43.98 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.63 -0.714 . . . . 1.0 109.677 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -122.3 109.94 15.06 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.688 0.28 . . . . 1.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.6 mt -130.11 130.62 65.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.226 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.418 ' C ' ' H ' ' A' ' 25' ' ' ARG . 91.6 m-20 56.79 34.46 24.72 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.192 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.44 -27.26 1.26 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.686 -0.565 . . . . 1.0 111.686 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.418 ' H ' ' C ' ' A' ' 23' ' ' ASN . 32.6 mmt180 -73.23 148.05 44.07 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.894 -0.409 . . . . 1.0 109.894 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.1 mm -85.28 108.55 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.679 -0.489 . . . . 1.0 109.679 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.494 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 2.8 m-85 -100.14 138.12 37.64 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.55 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.3 m -90.8 137.11 32.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.261 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.7 tp -78.04 101.06 6.76 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.592 -0.892 . . . . 1.0 108.592 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.5 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 0.1 OUTLIER -104.8 120.37 41.22 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.124 0.488 . . . . 1.0 111.199 -178.435 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.9 m -119.57 161.11 21.17 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.582 -0.735 . . . . 1.0 110.207 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.942 -1.028 . . . . 1.0 110.442 179.895 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.5 m . . . . . 0 N--CA 1.466 0.328 0 CA-C-O 120.988 0.423 . . . . 1.0 110.737 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -149.36 168.16 24.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.232 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.5 m -119.13 124.87 47.9 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.188 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -159.83 143.77 14.53 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 120.952 0.406 . . . . 1.0 111.71 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.1 m -60.27 -41.35 93.14 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.697 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.2 mtp85 -119.44 121.44 39.47 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.993 0.425 . . . . 1.0 110.934 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.4 m -106.66 136.17 46.93 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.267 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.669 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.4 mm? -85.57 -176.29 6.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.529 -0.76 . . . . 1.0 110.253 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -62.0 -42.39 99.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.649 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -59.85 -36.78 77.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.624 -0.262 . . . . 1.0 111.106 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -101.98 125.6 48.71 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.925 -0.398 . . . . 1.0 109.925 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.4 p -102.21 146.68 27.64 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.42 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 46.6 p-10 -87.83 139.8 30.15 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.87 0.367 . . . . 1.0 111.167 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.4 t -159.58 31.4 0.19 Allowed 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.361 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.0 -176.89 41.89 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.18 -0.768 . . . . 1.0 111.18 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.5 p -142.43 159.39 42.32 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.114 0.483 . . . . 1.0 111.449 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.88 154.31 39.29 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.544 -0.753 . . . . 1.0 109.742 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -107.02 105.59 15.69 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.477 -0.329 . . . . 1.0 111.219 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.2 mt -126.65 127.99 70.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 120.874 0.368 . . . . 1.0 110.35 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.446 ' C ' ' H ' ' A' ' 25' ' ' ARG . 15.8 m120 55.37 35.55 25.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.218 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.56 -26.84 1.31 Allowed Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.366 -0.694 . . . . 1.0 111.366 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.446 ' H ' ' C ' ' A' ' 23' ' ' ASN . 92.0 mtm-85 -75.6 148.87 38.46 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.944 -0.303 . . . . 1.0 110.192 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.0 mm -87.34 111.98 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.8 -0.445 . . . . 1.0 109.8 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -98.64 149.44 22.79 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.188 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.7 t -97.01 123.2 40.68 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.442 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.6 tp -76.8 98.01 4.7 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.834 -0.802 . . . . 1.0 108.834 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.8 m -95.21 149.49 21.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.19 0.519 . . . . 1.0 111.582 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 91.5 m -139.97 -177.07 4.82 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.247 -0.888 . . . . 1.0 110.134 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.095 -0.955 . . . . 1.0 110.422 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 99.2 m . . . . . 0 N--CA 1.465 0.289 0 CA-C-O 121.033 0.444 . . . . 1.0 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.473 ' CG ' ' H ' ' A' ' 6' ' ' CYS . 45.8 t-80 -154.41 172.44 17.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.766 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.473 ' H ' ' CG ' ' A' ' 5' ' ' HIS . 7.3 m -119.14 109.11 15.5 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.798 -0.637 . . . . 1.0 109.828 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -151.24 142.06 22.86 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.528 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.7 p -65.15 -36.73 85.16 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.553 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -121.97 125.53 46.54 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.976 0.417 . . . . 1.0 111.063 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 96.8 m -106.25 140.35 39.33 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.745 -0.661 . . . . 1.0 110.513 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.664 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.4 mm? -90.16 175.47 7.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.05 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -64.51 25.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.401 -0.363 . . . . 1.0 111.85 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.588 ' H ' ' C ' ' A' ' 11' ' ' LEU . 1.3 tpm_? -115.22 -25.09 8.19 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.451 0.167 . . . . 1.0 110.686 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -119.67 174.95 6.1 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.016 0.436 . . . . 1.0 110.666 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.1 t -137.33 146.27 44.38 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.839 -0.619 . . . . 1.0 109.849 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -70.73 111.96 6.59 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.008 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.7 m -99.61 -19.22 16.94 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.695 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 163.98 -172.81 39.92 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 120.884 -0.674 . . . . 1.0 111.499 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.6 p -82.91 169.72 15.74 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.859 0.361 . . . . 1.0 110.94 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.437 ' O ' ' O ' ' A' ' 27' ' ' PHE . 2.1 t -164.47 102.5 0.83 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.202 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -99.46 109.06 21.65 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.267 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.408 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 47.7 mt -131.78 129.83 61.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 109.071 -0.715 . . . . 1.0 109.071 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 58.61 36.71 25.23 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.783 0.325 . . . . 1.0 111.481 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.88 -19.74 2.02 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 121.017 -0.611 . . . . 1.0 111.869 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HA ' ' HE ' ' A' ' 25' ' ' ARG . 0.7 OUTLIER -72.86 141.63 47.95 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.684 -0.407 . . . . 1.0 110.117 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.0 mm -89.48 86.88 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.529 -0.545 . . . . 1.0 109.529 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' CYS . 40.4 m-85 -97.41 154.8 17.23 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.927 0.394 . . . . 1.0 110.032 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.1 t -106.58 136.25 46.69 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.764 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.6 tp -76.01 99.31 4.54 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.414 -0.587 . . . . 1.0 109.414 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -98.46 139.87 33.55 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.728 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 71.4 m -139.72 -178.71 5.54 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.088 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.1 -0.952 . . . . 1.0 110.495 179.93 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 62.2 m . . . . . 0 N--CA 1.464 0.229 0 CA-C-O 120.505 0.193 . . . . 1.0 110.932 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.456 ' CG ' ' N ' ' A' ' 6' ' ' CYS . 56.5 t-80 -148.87 169.42 20.57 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.955 -0.387 . . . . 1.0 109.955 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.456 ' N ' ' CG ' ' A' ' 5' ' ' HIS . 6.4 m -121.48 113.55 19.99 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.903 -0.406 . . . . 1.0 109.903 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -151.01 144.61 24.99 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.121 0.415 . . . . 1.0 112.121 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.3 p -59.78 -35.85 75.49 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.987 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -120.33 112.05 18.54 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.998 0.427 . . . . 1.0 110.676 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 62.1 m -101.42 124.36 46.97 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.22 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.584 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.8 mp -74.35 -176.32 2.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.481 -0.781 . . . . 1.0 109.898 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.99 -38.98 93.07 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 111.716 0.265 . . . . 1.0 111.716 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.9 ttt85 -58.74 -36.1 73.8 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.677 -0.238 . . . . 1.0 110.758 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 57.9 mp0 -103.62 108.92 20.39 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.649 0.262 . . . . 1.0 110.424 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.9 m -79.68 142.98 35.02 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.306 -0.407 . . . . 1.0 109.991 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -73.4 115.63 13.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.921 0.391 . . . . 1.0 111.14 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.403 ' OG ' ' N ' ' A' ' 18' ' ' GLY . 25.2 p -99.79 -54.64 2.86 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.403 ' N ' ' OG ' ' A' ' 17' ' ' SER . . . -153.87 -151.31 5.72 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 111.197 -0.761 . . . . 1.0 111.197 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.9 t -135.31 148.54 49.53 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.022 0.439 . . . . 1.0 111.291 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.79 156.0 49.63 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.743 -0.662 . . . . 1.0 109.718 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -120.8 113.89 20.82 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.782 0.325 . . . . 1.0 110.862 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.3 mt -130.45 129.61 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.3 m120 51.33 32.15 8.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.041 -0.527 . . . . 1.0 111.179 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.28 -26.76 3.81 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 111.711 -0.556 . . . . 1.0 111.711 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -69.74 137.97 52.43 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.728 -0.389 . . . . 1.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.3 mm -89.75 115.13 28.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.642 -0.503 . . . . 1.0 109.642 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -114.5 149.17 36.79 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.26 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 m -92.23 126.74 37.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.603 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.5 tp -80.76 107.19 13.35 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.602 -0.888 . . . . 1.0 108.602 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.0 m -118.23 146.68 44.08 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.204 0.525 . . . . 1.0 111.321 -178.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.2 m -128.91 -179.78 5.29 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.532 -0.758 . . . . 1.0 110.373 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.5 ttp85 . . . . . 0 C--O 1.218 -0.573 0 CA-C-O 118.106 -0.949 . . . . 1.0 110.471 179.925 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.406 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 3.3 m . . . . . 0 N--CA 1.467 0.394 0 CA-C-O 120.918 0.39 . . . . 1.0 110.947 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.474 ' ND1' ' N ' ' A' ' 6' ' ' CYS . 53.8 t-80 -148.6 173.38 13.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.714 -0.675 . . . . 1.0 109.734 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.474 ' N ' ' ND1' ' A' ' 5' ' ' HIS . 1.7 m -116.93 126.86 53.6 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.95 -0.389 . . . . 1.0 109.95 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -148.9 168.54 22.77 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.816 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.8 p -58.51 -44.45 89.46 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.387 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -147.29 138.05 23.56 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.853 0.358 . . . . 1.0 110.975 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.4 m -80.73 114.78 19.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.169 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.548 ' C ' ' H ' ' A' ' 13' ' ' ARG . 10.8 mp -70.05 167.48 17.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.823 -0.626 . . . . 1.0 109.906 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.93 22.62 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.588 -0.278 . . . . 1.0 111.747 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.548 ' H ' ' C ' ' A' ' 11' ' ' LEU . 99.8 mtt180 -118.12 -24.24 7.07 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.832 -0.167 . . . . 1.0 110.842 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -116.82 130.19 56.56 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.835 0.35 . . . . 1.0 110.48 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.3 m -76.24 141.79 41.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.309 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 40.3 p-10 -83.68 113.21 20.71 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.846 0.355 . . . . 1.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.9 p -98.8 -50.59 4.17 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -150.35 -142.99 3.65 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.322 -0.711 . . . . 1.0 111.322 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 p -153.76 162.63 41.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.96 0.41 . . . . 1.0 111.17 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 27' ' ' PHE . 1.5 p -145.33 137.91 25.98 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.782 -0.645 . . . . 1.0 109.567 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -92.54 107.25 19.07 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.315 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.418 ' C ' ' H ' ' A' ' 24' ' ' GLY . 96.3 mt -125.39 125.06 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 CA-C-O 120.91 0.386 . . . . 1.0 110.113 179.224 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.9 m120 53.89 9.57 0.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.074 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 22' ' ' ILE . . . 76.14 16.13 80.92 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 121.029 -0.605 . . . . 1.0 111.599 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -91.72 1.78 56.93 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.863 0.363 . . . . 1.0 110.473 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.6 mm 55.32 92.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.043 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.509 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 2.5 m-85 -101.14 123.31 45.08 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.567 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.9 m -75.1 142.63 43.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.234 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.3 tp -92.58 91.84 7.75 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 108.749 -0.834 . . . . 1.0 108.749 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -95.71 138.98 32.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.883 -178.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 4' ' ' CYS . 6.8 t -149.68 169.32 21.29 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.645 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.008 -0.996 . . . . 1.0 110.361 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 75.2 m . . . . . 0 N--CA 1.463 0.21 0 CA-C-O 120.629 0.252 . . . . 1.0 110.657 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.438 ' CG ' ' N ' ' A' ' 6' ' ' CYS . 75.5 t60 -143.09 173.37 11.63 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 109.885 -0.413 . . . . 1.0 109.885 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.438 ' N ' ' CG ' ' A' ' 5' ' ' HIS . 2.0 m -119.94 112.66 19.46 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.886 -0.413 . . . . 1.0 109.886 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -149.08 141.7 24.43 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.129 0.418 . . . . 1.0 112.129 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.8 p -63.6 -40.0 95.8 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 116.035 -0.529 . . . . 1.0 112.077 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -119.49 123.21 43.46 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.059 0.457 . . . . 1.0 110.639 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.9 m -103.9 136.67 43.13 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.465 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.598 ' C ' ' H ' ' A' ' 13' ' ' ARG . 9.9 mp -78.04 166.04 23.29 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.543 -0.753 . . . . 1.0 109.778 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -63.61 23.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.718 0.266 . . . . 1.0 111.718 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.598 ' H ' ' C ' ' A' ' 11' ' ' LEU . 96.9 mtt180 -118.18 -26.92 6.21 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.819 -0.173 . . . . 1.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.543 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 55.1 mp0 -107.43 168.01 9.53 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.591 0.234 . . . . 1.0 110.491 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.0 t -136.24 141.74 43.96 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 110.017 -0.364 . . . . 1.0 110.017 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -75.71 121.42 22.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.964 0.412 . . . . 1.0 111.25 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.5 p -119.03 -0.78 11.06 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 170.43 -165.56 38.82 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.207 -0.757 . . . . 1.0 111.207 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 p -136.94 161.38 36.19 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.023 0.44 . . . . 1.0 111.319 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 p -147.92 158.29 43.97 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.748 -0.66 . . . . 1.0 109.687 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -122.51 110.98 16.26 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.737 0.304 . . . . 1.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.8 mt -131.22 124.94 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 109.793 -0.447 . . . . 1.0 109.793 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 57.66 35.96 26.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.139 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.91 -23.66 1.69 Allowed Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.742 -0.543 . . . . 1.0 111.742 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -73.27 141.05 47.22 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.809 -0.441 . . . . 1.0 109.809 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.5 mm -92.18 115.24 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.601 -0.518 . . . . 1.0 109.601 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -113.15 150.25 32.47 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.205 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.5 t -98.07 125.89 43.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.682 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.6 tp -68.81 99.85 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.463 -0.94 . . . . 1.0 108.463 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.56 132.75 44.69 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.225 0.536 . . . . 1.0 111.519 -178.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.8 m -124.87 163.41 22.28 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.604 -0.725 . . . . 1.0 110.336 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.139 -0.934 . . . . 1.0 110.399 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 85.0 m . . . . . 0 N--CA 1.463 0.18 0 CA-C-O 120.769 0.318 . . . . 1.0 110.561 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.419 ' CG ' ' N ' ' A' ' 6' ' ' CYS . 53.7 t-80 -147.88 167.64 24.29 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.179 -0.464 . . . . 1.0 109.948 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.419 ' N ' ' CG ' ' A' ' 5' ' ' HIS . 2.4 m -119.21 126.6 51.92 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.849 -0.426 . . . . 1.0 109.849 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -157.05 147.31 21.1 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.062 0.393 . . . . 1.0 112.062 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.1 p -61.29 -35.2 76.68 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.044 -0.525 . . . . 1.0 112.037 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -124.5 132.36 53.48 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.97 0.414 . . . . 1.0 110.712 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.2 m -108.11 124.85 50.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.458 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.579 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.8 mp -80.14 -176.14 5.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.511 -0.768 . . . . 1.0 109.887 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -65.61 -37.94 88.04 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.736 0.273 . . . . 1.0 111.736 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -59.39 -34.68 72.73 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.734 -0.212 . . . . 1.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.554 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 56.8 mp0 -101.76 164.17 11.88 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.761 0.315 . . . . 1.0 110.387 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.6 m -133.84 142.54 47.87 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.025 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.413 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 46.7 p-10 -67.89 133.9 49.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.954 0.407 . . . . 1.0 111.244 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 63.2 p -161.48 84.37 0.63 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.882 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.36 173.5 38.61 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.131 -0.788 . . . . 1.0 111.131 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.2 t -133.61 145.28 49.87 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.075 0.464 . . . . 1.0 111.262 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -132.59 153.43 51.02 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.722 -0.672 . . . . 1.0 109.704 179.313 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -113.02 108.58 17.53 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.784 0.326 . . . . 1.0 110.754 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.2 mt -126.42 132.1 70.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 109.688 -0.486 . . . . 1.0 109.688 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.409 ' C ' ' H ' ' A' ' 25' ' ' ARG . 96.6 m-20 56.56 34.99 25.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.173 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.46 -30.09 1.21 Allowed Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.706 -0.558 . . . . 1.0 111.706 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.409 ' H ' ' C ' ' A' ' 23' ' ' ASN . 99.3 mtt180 -71.4 149.1 46.29 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.841 -0.429 . . . . 1.0 109.841 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.8 mm -84.24 107.49 15.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -98.92 148.23 24.17 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.233 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.6 m -100.26 128.53 46.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.596 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.3 tp -75.44 105.43 6.47 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 108.428 -0.952 . . . . 1.0 108.428 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.7 142.07 36.07 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.15 0.5 . . . . 1.0 111.459 -178.115 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 90.5 m -133.1 171.46 13.96 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.582 -0.735 . . . . 1.0 110.443 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 . . . . . 0 C--O 1.219 -0.55 0 CA-C-O 118.148 -0.93 . . . . 1.0 110.281 179.737 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 30' ' ' CYS . 5.0 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.687 0.28 . . . . 1.0 110.892 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.66 ' CG ' ' H ' ' A' ' 6' ' ' CYS . 53.5 t-80 -154.89 179.77 8.79 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.987 -0.552 . . . . 1.0 109.836 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.66 ' H ' ' CG ' ' A' ' 5' ' ' HIS . 2.0 m -119.3 131.6 55.77 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 110.022 -0.362 . . . . 1.0 110.022 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -152.09 154.44 35.91 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.052 0.39 . . . . 1.0 112.052 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.3 m -59.02 -42.32 89.88 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.662 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -126.3 131.09 51.94 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.924 0.392 . . . . 1.0 110.61 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.2 m -108.4 123.31 48.66 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.319 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.602 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.3 mp -81.82 -178.61 7.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.649 -0.705 . . . . 1.0 109.949 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -62.06 -38.06 87.36 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.734 0.272 . . . . 1.0 111.734 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.441 HH21 ' NH2' ' A' ' 32' ' ' ARG . 83.3 mtp180 -58.05 -32.36 67.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 57.6 mp0 -107.56 116.5 32.05 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.693 0.282 . . . . 1.0 110.543 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.0 m -86.21 140.72 29.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.153 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.418 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 10.4 p30 -78.19 115.23 17.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.897 0.379 . . . . 1.0 110.775 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 71.2 m -104.32 -19.42 14.09 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.046 -0.525 . . . . 1.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.47 -161.92 25.78 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.198 -0.761 . . . . 1.0 111.198 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.5 t -136.02 145.88 46.55 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.077 0.465 . . . . 1.0 111.213 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.432 ' O ' ' O ' ' A' ' 27' ' ' PHE . 1.2 p -132.23 144.36 50.57 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.704 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -104.92 107.48 18.47 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.476 -0.329 . . . . 1.0 111.068 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.49 ' C ' ' H ' ' A' ' 24' ' ' GLY . 44.0 mt -124.94 128.58 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 109.344 -0.613 . . . . 1.0 109.344 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 57.6 t30 56.77 3.29 0.12 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.024 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 22' ' ' ILE . . . 79.87 16.87 76.23 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 121.09 -0.576 . . . . 1.0 111.749 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.3 mmm-85 -92.81 7.19 44.78 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 122.611 -0.347 . . . . 1.0 110.18 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.4 mm 54.85 88.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.804 -0.443 . . . . 1.0 109.804 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.432 ' O ' ' O ' ' A' ' 20' ' ' CYS . 2.3 m-85 -101.9 134.14 45.57 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.464 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.7 m -85.31 137.76 32.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.435 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.5 tp -94.05 110.82 22.5 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.318 -0.993 . . . . 1.0 108.318 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.525 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 22.4 m -125.56 142.16 51.65 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.303 0.573 . . . . 1.0 111.206 -178.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.8 m -122.84 169.55 11.0 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.367 -0.833 . . . . 1.0 110.695 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.441 ' NH2' HH21 ' A' ' 13' ' ' ARG . 85.1 mtp180 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.932 -1.033 . . . . 1.0 110.263 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.4 -0.593 . . . . 1.0 109.4 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 -73.41 153.36 40.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.607 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.507 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 23.0 m -61.2 98.92 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.344 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.1 m -129.23 159.95 34.48 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.593 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' A' ' 6' ' ' CYS . 40.9 t-80 -153.68 169.26 23.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.976 -0.556 . . . . 1.0 109.852 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.466 ' N ' ' CG ' ' A' ' 5' ' ' HIS . 1.6 m -118.8 127.24 53.34 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.517 -0.31 . . . . 1.0 110.192 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -158.05 150.39 22.23 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.001 0.371 . . . . 1.0 112.001 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.1 m -60.12 -41.11 91.91 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.947 -0.57 . . . . 1.0 111.783 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.7 ptt-85 -118.71 120.64 38.02 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.075 0.464 . . . . 1.0 110.809 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 93.9 m -107.71 125.67 51.66 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.481 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.606 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.2 mp -79.79 -177.3 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.239 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -62.14 -37.33 84.76 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 111.603 0.224 . . . . 1.0 111.603 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -61.25 -35.74 78.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.577 -0.283 . . . . 1.0 110.952 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 58.4 mp0 -105.58 104.12 13.77 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.907 0.384 . . . . 1.0 110.452 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.6 p -80.4 151.31 29.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.217 -0.447 . . . . 1.0 109.95 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.434 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 46.0 p-10 -71.07 120.46 16.68 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.907 0.384 . . . . 1.0 111.08 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.8 m -110.68 -22.15 11.74 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.08 -0.509 . . . . 1.0 111.037 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.93 -160.69 25.3 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.246 -0.742 . . . . 1.0 111.246 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.4 t -133.21 147.01 52.0 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.087 0.47 . . . . 1.0 111.253 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.67 151.72 46.15 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.62 -0.718 . . . . 1.0 109.58 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 21' ' ' ASN . 9.5 p30 -116.64 111.08 19.35 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.464 -0.334 . . . . 1.0 111.114 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.4 mt -126.78 130.03 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-N 116.316 -0.402 . . . . 1.0 109.989 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.427 ' C ' ' H ' ' A' ' 25' ' ' ARG . 91.0 m-20 56.93 34.62 25.16 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.225 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.63 -25.62 1.41 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.576 -0.61 . . . . 1.0 111.576 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.427 ' H ' ' C ' ' A' ' 23' ' ' ASN . 95.8 mtt-85 -72.9 145.06 47.12 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.883 -0.414 . . . . 1.0 109.883 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.8 mm -82.91 110.24 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.768 -0.373 . . . . 1.0 110.159 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -101.44 148.28 25.36 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.364 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -103.01 124.53 48.68 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.379 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.7 tp -80.56 94.05 6.2 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 108.239 -1.023 . . . . 1.0 108.239 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 53.2 m -105.1 143.61 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.046 -0.525 . . . . 1.0 111.464 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 3' ' ' THR . 4.0 t -142.86 -178.75 5.96 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.402 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.6 ttt85 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.995 -1.003 . . . . 1.0 110.213 179.812 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.473 -0.566 . . . . 1.0 109.473 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 -73.89 145.0 45.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.493 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.8 p -99.6 119.51 38.19 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.434 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.445 ' SG ' ' O ' ' A' ' 30' ' ' CYS . 11.1 t -160.29 151.34 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.689 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.507 ' ND1' ' N ' ' A' ' 6' ' ' CYS . 54.3 t-80 -139.13 174.5 10.45 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 109.919 -0.401 . . . . 1.0 109.919 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.507 ' N ' ' ND1' ' A' ' 5' ' ' HIS . 1.7 m -119.11 136.13 54.31 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.905 -0.406 . . . . 1.0 109.905 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -157.49 149.85 22.73 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.219 0.451 . . . . 1.0 112.219 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.1 m -60.24 -43.53 96.01 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.714 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -122.09 140.69 52.22 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.954 0.407 . . . . 1.0 110.511 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.1 m -114.59 128.2 56.19 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.486 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.59 ' C ' ' H ' ' A' ' 13' ' ' ARG . 9.8 mp -80.75 164.09 23.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.607 -0.724 . . . . 1.0 109.866 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -63.43 25.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.883 0.327 . . . . 1.0 111.883 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.59 ' H ' ' C ' ' A' ' 11' ' ' LEU . 42.5 ttm180 -115.28 -29.21 6.66 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 110.665 -0.124 . . . . 1.0 110.665 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.537 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 54.4 mp0 -104.82 173.91 6.1 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.747 0.308 . . . . 1.0 110.377 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.1 t -137.37 139.42 40.76 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.233 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -76.64 124.96 28.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.005 0.431 . . . . 1.0 111.069 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.0 t -121.25 -1.6 9.7 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.849 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.68 -166.01 38.58 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.124 -0.79 . . . . 1.0 111.124 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.8 m -131.95 151.71 51.55 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.065 0.46 . . . . 1.0 111.259 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -143.7 151.27 39.85 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.585 -0.734 . . . . 1.0 109.669 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.9 p-10 -116.04 110.93 19.58 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.584 -0.28 . . . . 1.0 111.223 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.9 mt -127.28 131.58 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.092 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.464 ' C ' ' H ' ' A' ' 25' ' ' ARG . 95.0 m-20 56.56 34.97 25.32 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.29 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.24 -26.25 0.84 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.469 -0.652 . . . . 1.0 111.469 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.464 ' H ' ' C ' ' A' ' 23' ' ' ASN . 84.4 mtt85 -73.81 142.13 46.18 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.673 -0.411 . . . . 1.0 109.9 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.6 mm -75.11 117.46 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.659 -0.497 . . . . 1.0 109.659 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -111.8 142.78 43.74 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.289 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.8 m -99.88 139.19 35.9 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.39 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.3 tp -81.59 102.73 10.82 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.829 -0.804 . . . . 1.0 108.829 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 0.1 OUTLIER -103.38 120.37 40.66 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.18 0.514 . . . . 1.0 111.051 -178.47 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.6 m -116.1 165.97 12.53 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.597 -0.729 . . . . 1.0 110.4 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 . . . . . 0 C--O 1.219 -0.529 0 CA-C-O 118.106 -0.95 . . . . 1.0 110.463 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.586 -0.524 . . . . 1.0 109.586 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -67.6 139.12 56.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.501 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 90.2 m -120.59 131.15 54.5 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.476 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 30' ' ' CYS . 15.0 t -147.67 167.71 23.91 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.659 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.473 ' ND1' ' N ' ' A' ' 6' ' ' CYS . 57.6 t-80 -152.32 168.88 23.98 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.882 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.473 ' N ' ' ND1' ' A' ' 5' ' ' HIS . 1.1 m -118.85 130.65 55.87 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 110.087 -0.338 . . . . 1.0 110.087 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -153.28 149.34 27.81 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.141 0.422 . . . . 1.0 112.141 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.0 m -61.23 -44.54 97.09 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.068 -0.515 . . . . 1.0 111.948 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.9 mtp85 -122.24 134.01 54.7 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.924 0.392 . . . . 1.0 110.814 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.439 ' C ' HD22 ' A' ' 11' ' ' LEU . 66.5 m -110.41 139.08 45.96 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.715 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.679 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.6 mm? -92.59 170.26 9.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.627 -0.715 . . . . 1.0 110.1 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -64.08 25.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.755 0.28 . . . . 1.0 111.755 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.584 ' H ' ' C ' ' A' ' 11' ' ' LEU . 96.4 mtt180 -117.47 -24.99 7.12 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.471 0.177 . . . . 1.0 111.081 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 55.5 mp0 -113.03 166.13 11.71 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.731 0.301 . . . . 1.0 110.577 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.8 t -131.24 138.61 49.42 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.109 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -77.73 110.74 12.85 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.922 0.391 . . . . 1.0 111.088 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.1 p -102.72 -4.29 25.24 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.835 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.06 -156.94 24.56 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.203 -0.759 . . . . 1.0 111.203 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.4 p -138.4 160.75 38.71 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.11 0.481 . . . . 1.0 111.366 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 27' ' ' PHE . 1.5 p -149.38 159.79 43.98 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.63 -0.714 . . . . 1.0 109.677 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -122.3 109.94 15.06 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.688 0.28 . . . . 1.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.6 mt -130.11 130.62 65.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.226 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.418 ' C ' ' H ' ' A' ' 25' ' ' ARG . 91.6 m-20 56.79 34.46 24.72 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.192 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.44 -27.26 1.26 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.686 -0.565 . . . . 1.0 111.686 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.418 ' H ' ' C ' ' A' ' 23' ' ' ASN . 32.6 mmt180 -73.23 148.05 44.07 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.894 -0.409 . . . . 1.0 109.894 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.1 mm -85.28 108.55 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.679 -0.489 . . . . 1.0 109.679 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.494 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 2.8 m-85 -100.14 138.12 37.64 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.55 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.3 m -90.8 137.11 32.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.261 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.7 tp -78.04 101.06 6.76 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.592 -0.892 . . . . 1.0 108.592 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.5 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 0.1 OUTLIER -104.8 120.37 41.22 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.124 0.488 . . . . 1.0 111.199 -178.435 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.9 m -119.57 161.11 21.17 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.582 -0.735 . . . . 1.0 110.207 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.942 -1.028 . . . . 1.0 110.442 179.895 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.154 -0.684 . . . . 1.0 109.154 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -61.24 -43.67 98.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.579 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.462 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 94.6 m -91.55 126.61 36.7 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.595 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.462 ' SG ' ' O ' ' A' ' 3' ' ' THR . 98.5 m -154.18 159.8 41.57 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.737 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -149.36 168.16 24.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.232 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.5 m -119.13 124.87 47.9 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.188 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -159.83 143.77 14.53 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 120.952 0.406 . . . . 1.0 111.71 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.1 m -60.27 -41.35 93.14 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.697 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.2 mtp85 -119.44 121.44 39.47 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.993 0.425 . . . . 1.0 110.934 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.4 m -106.66 136.17 46.93 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.267 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.669 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.4 mm? -85.57 -176.29 6.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.529 -0.76 . . . . 1.0 110.253 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -62.0 -42.39 99.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.649 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -59.85 -36.78 77.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.624 -0.262 . . . . 1.0 111.106 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -101.98 125.6 48.71 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.925 -0.398 . . . . 1.0 109.925 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.4 p -102.21 146.68 27.64 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.42 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 46.6 p-10 -87.83 139.8 30.15 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.87 0.367 . . . . 1.0 111.167 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.4 t -159.58 31.4 0.19 Allowed 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.361 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.0 -176.89 41.89 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.18 -0.768 . . . . 1.0 111.18 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.5 p -142.43 159.39 42.32 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.114 0.483 . . . . 1.0 111.449 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.88 154.31 39.29 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.544 -0.753 . . . . 1.0 109.742 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -107.02 105.59 15.69 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.477 -0.329 . . . . 1.0 111.219 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.2 mt -126.65 127.99 70.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 120.874 0.368 . . . . 1.0 110.35 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.446 ' C ' ' H ' ' A' ' 25' ' ' ARG . 15.8 m120 55.37 35.55 25.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.218 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.56 -26.84 1.31 Allowed Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.366 -0.694 . . . . 1.0 111.366 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.446 ' H ' ' C ' ' A' ' 23' ' ' ASN . 92.0 mtm-85 -75.6 148.87 38.46 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.944 -0.303 . . . . 1.0 110.192 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.0 mm -87.34 111.98 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.8 -0.445 . . . . 1.0 109.8 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -98.64 149.44 22.79 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.188 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.7 t -97.01 123.2 40.68 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.442 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.6 tp -76.8 98.01 4.7 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.834 -0.802 . . . . 1.0 108.834 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.8 m -95.21 149.49 21.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.19 0.519 . . . . 1.0 111.582 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 91.5 m -139.97 -177.07 4.82 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.247 -0.888 . . . . 1.0 110.134 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.095 -0.955 . . . . 1.0 110.422 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.5 -0.556 . . . . 1.0 109.5 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -72.14 145.22 48.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.033 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.488 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 92.4 m -118.31 125.86 50.94 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.21 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 3' ' ' THR . 99.2 m -154.88 164.43 38.85 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.033 0.444 . . . . 1.0 110.885 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.473 ' CG ' ' H ' ' A' ' 6' ' ' CYS . 45.8 t-80 -154.41 172.44 17.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.766 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.473 ' H ' ' CG ' ' A' ' 5' ' ' HIS . 7.3 m -119.14 109.11 15.5 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.798 -0.637 . . . . 1.0 109.828 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -151.24 142.06 22.86 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.528 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.7 p -65.15 -36.73 85.16 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.553 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -121.97 125.53 46.54 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.976 0.417 . . . . 1.0 111.063 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 96.8 m -106.25 140.35 39.33 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.745 -0.661 . . . . 1.0 110.513 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.664 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.4 mm? -90.16 175.47 7.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.05 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -64.51 25.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.401 -0.363 . . . . 1.0 111.85 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.588 ' H ' ' C ' ' A' ' 11' ' ' LEU . 1.3 tpm_? -115.22 -25.09 8.19 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.451 0.167 . . . . 1.0 110.686 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -119.67 174.95 6.1 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.016 0.436 . . . . 1.0 110.666 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.1 t -137.33 146.27 44.38 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.839 -0.619 . . . . 1.0 109.849 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -70.73 111.96 6.59 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.008 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.7 m -99.61 -19.22 16.94 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.695 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 163.98 -172.81 39.92 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 120.884 -0.674 . . . . 1.0 111.499 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.6 p -82.91 169.72 15.74 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.859 0.361 . . . . 1.0 110.94 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.437 ' O ' ' O ' ' A' ' 27' ' ' PHE . 2.1 t -164.47 102.5 0.83 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.202 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -99.46 109.06 21.65 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.267 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.408 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 47.7 mt -131.78 129.83 61.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 109.071 -0.715 . . . . 1.0 109.071 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 58.61 36.71 25.23 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.783 0.325 . . . . 1.0 111.481 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.88 -19.74 2.02 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 121.017 -0.611 . . . . 1.0 111.869 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HA ' ' HE ' ' A' ' 25' ' ' ARG . 0.7 OUTLIER -72.86 141.63 47.95 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.684 -0.407 . . . . 1.0 110.117 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.0 mm -89.48 86.88 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.529 -0.545 . . . . 1.0 109.529 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' CYS . 40.4 m-85 -97.41 154.8 17.23 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.927 0.394 . . . . 1.0 110.032 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.1 t -106.58 136.25 46.69 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.764 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.6 tp -76.01 99.31 4.54 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.414 -0.587 . . . . 1.0 109.414 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -98.46 139.87 33.55 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.728 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 71.4 m -139.72 -178.71 5.54 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.088 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.1 -0.952 . . . . 1.0 110.495 179.93 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.533 -0.543 . . . . 1.0 109.533 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -79.88 147.97 31.5 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.628 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.488 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 55.8 p -73.5 135.08 44.01 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.55 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 3' ' ' THR . 62.2 m -153.8 164.85 37.65 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.932 179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.456 ' CG ' ' N ' ' A' ' 6' ' ' CYS . 56.5 t-80 -148.87 169.42 20.57 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.955 -0.387 . . . . 1.0 109.955 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.456 ' N ' ' CG ' ' A' ' 5' ' ' HIS . 6.4 m -121.48 113.55 19.99 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.903 -0.406 . . . . 1.0 109.903 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -151.01 144.61 24.99 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.121 0.415 . . . . 1.0 112.121 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.3 p -59.78 -35.85 75.49 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.987 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -120.33 112.05 18.54 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.998 0.427 . . . . 1.0 110.676 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 62.1 m -101.42 124.36 46.97 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.22 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.584 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.8 mp -74.35 -176.32 2.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.481 -0.781 . . . . 1.0 109.898 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.99 -38.98 93.07 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 111.716 0.265 . . . . 1.0 111.716 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.9 ttt85 -58.74 -36.1 73.8 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.677 -0.238 . . . . 1.0 110.758 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 57.9 mp0 -103.62 108.92 20.39 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.649 0.262 . . . . 1.0 110.424 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.9 m -79.68 142.98 35.02 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.306 -0.407 . . . . 1.0 109.991 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -73.4 115.63 13.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.921 0.391 . . . . 1.0 111.14 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.403 ' OG ' ' N ' ' A' ' 18' ' ' GLY . 25.2 p -99.79 -54.64 2.86 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.403 ' N ' ' OG ' ' A' ' 17' ' ' SER . . . -153.87 -151.31 5.72 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 111.197 -0.761 . . . . 1.0 111.197 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.9 t -135.31 148.54 49.53 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.022 0.439 . . . . 1.0 111.291 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.79 156.0 49.63 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.743 -0.662 . . . . 1.0 109.718 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -120.8 113.89 20.82 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.782 0.325 . . . . 1.0 110.862 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.3 mt -130.45 129.61 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.3 m120 51.33 32.15 8.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.041 -0.527 . . . . 1.0 111.179 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.28 -26.76 3.81 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 111.711 -0.556 . . . . 1.0 111.711 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -69.74 137.97 52.43 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.728 -0.389 . . . . 1.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.3 mm -89.75 115.13 28.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.642 -0.503 . . . . 1.0 109.642 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -114.5 149.17 36.79 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.26 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 m -92.23 126.74 37.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.603 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.5 tp -80.76 107.19 13.35 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.602 -0.888 . . . . 1.0 108.602 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.0 m -118.23 146.68 44.08 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.204 0.525 . . . . 1.0 111.321 -178.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.2 m -128.91 -179.78 5.29 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.532 -0.758 . . . . 1.0 110.373 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.5 ttp85 . . . . . 0 C--O 1.218 -0.573 0 CA-C-O 118.106 -0.949 . . . . 1.0 110.471 179.925 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -100.86 101.71 12.6 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.494 ' OG1' ' N ' ' A' ' 4' ' ' CYS . 6.0 t -174.85 -141.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.391 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.494 ' N ' ' OG1' ' A' ' 3' ' ' THR . 3.3 m -98.55 136.05 39.21 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.918 0.39 . . . . 1.0 110.947 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.474 ' ND1' ' N ' ' A' ' 6' ' ' CYS . 53.8 t-80 -148.6 173.38 13.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.714 -0.675 . . . . 1.0 109.734 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.474 ' N ' ' ND1' ' A' ' 5' ' ' HIS . 1.7 m -116.93 126.86 53.6 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.95 -0.389 . . . . 1.0 109.95 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -148.9 168.54 22.77 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.816 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.8 p -58.51 -44.45 89.46 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.387 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -147.29 138.05 23.56 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.853 0.358 . . . . 1.0 110.975 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.4 m -80.73 114.78 19.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.169 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.548 ' C ' ' H ' ' A' ' 13' ' ' ARG . 10.8 mp -70.05 167.48 17.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.823 -0.626 . . . . 1.0 109.906 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.93 22.62 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.588 -0.278 . . . . 1.0 111.747 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.548 ' H ' ' C ' ' A' ' 11' ' ' LEU . 99.8 mtt180 -118.12 -24.24 7.07 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.832 -0.167 . . . . 1.0 110.842 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -116.82 130.19 56.56 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.835 0.35 . . . . 1.0 110.48 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.3 m -76.24 141.79 41.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.309 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 40.3 p-10 -83.68 113.21 20.71 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.846 0.355 . . . . 1.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.9 p -98.8 -50.59 4.17 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -150.35 -142.99 3.65 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.322 -0.711 . . . . 1.0 111.322 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 p -153.76 162.63 41.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.96 0.41 . . . . 1.0 111.17 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 27' ' ' PHE . 1.5 p -145.33 137.91 25.98 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.782 -0.645 . . . . 1.0 109.567 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -92.54 107.25 19.07 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.315 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.418 ' C ' ' H ' ' A' ' 24' ' ' GLY . 96.3 mt -125.39 125.06 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 CA-C-O 120.91 0.386 . . . . 1.0 110.113 179.224 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.9 m120 53.89 9.57 0.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.074 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 22' ' ' ILE . . . 76.14 16.13 80.92 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 121.029 -0.605 . . . . 1.0 111.599 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -91.72 1.78 56.93 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.863 0.363 . . . . 1.0 110.473 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.6 mm 55.32 92.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.043 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.509 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 2.5 m-85 -101.14 123.31 45.08 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.567 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.9 m -75.1 142.63 43.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.234 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.3 tp -92.58 91.84 7.75 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 108.749 -0.834 . . . . 1.0 108.749 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -95.71 138.98 32.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.883 -178.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 4' ' ' CYS . 6.8 t -149.68 169.32 21.29 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.645 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.008 -0.996 . . . . 1.0 110.361 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 . . . . . 0 N--CA 1.488 1.475 0 N-CA-C 109.516 -0.55 . . . . 1.0 109.516 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 89.8 mtm-85 -65.36 -39.75 92.72 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.534 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 86.7 m -89.11 132.51 34.77 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.481 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 75.2 m -146.53 156.75 43.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.657 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.438 ' CG ' ' N ' ' A' ' 6' ' ' CYS . 75.5 t60 -143.09 173.37 11.63 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 109.885 -0.413 . . . . 1.0 109.885 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.438 ' N ' ' CG ' ' A' ' 5' ' ' HIS . 2.0 m -119.94 112.66 19.46 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.886 -0.413 . . . . 1.0 109.886 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -149.08 141.7 24.43 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.129 0.418 . . . . 1.0 112.129 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.8 p -63.6 -40.0 95.8 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 116.035 -0.529 . . . . 1.0 112.077 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -119.49 123.21 43.46 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.059 0.457 . . . . 1.0 110.639 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.9 m -103.9 136.67 43.13 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.465 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.598 ' C ' ' H ' ' A' ' 13' ' ' ARG . 9.9 mp -78.04 166.04 23.29 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.543 -0.753 . . . . 1.0 109.778 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -63.61 23.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.718 0.266 . . . . 1.0 111.718 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.598 ' H ' ' C ' ' A' ' 11' ' ' LEU . 96.9 mtt180 -118.18 -26.92 6.21 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.819 -0.173 . . . . 1.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.543 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 55.1 mp0 -107.43 168.01 9.53 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.591 0.234 . . . . 1.0 110.491 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.0 t -136.24 141.74 43.96 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 110.017 -0.364 . . . . 1.0 110.017 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -75.71 121.42 22.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.964 0.412 . . . . 1.0 111.25 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.5 p -119.03 -0.78 11.06 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 170.43 -165.56 38.82 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.207 -0.757 . . . . 1.0 111.207 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 p -136.94 161.38 36.19 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.023 0.44 . . . . 1.0 111.319 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 p -147.92 158.29 43.97 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.748 -0.66 . . . . 1.0 109.687 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -122.51 110.98 16.26 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.737 0.304 . . . . 1.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.8 mt -131.22 124.94 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 109.793 -0.447 . . . . 1.0 109.793 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 57.66 35.96 26.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.139 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.91 -23.66 1.69 Allowed Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.742 -0.543 . . . . 1.0 111.742 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -73.27 141.05 47.22 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.809 -0.441 . . . . 1.0 109.809 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.5 mm -92.18 115.24 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.601 -0.518 . . . . 1.0 109.601 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -113.15 150.25 32.47 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.205 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.5 t -98.07 125.89 43.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.682 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.6 tp -68.81 99.85 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.463 -0.94 . . . . 1.0 108.463 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.56 132.75 44.69 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.225 0.536 . . . . 1.0 111.519 -178.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.8 m -124.87 163.41 22.28 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.604 -0.725 . . . . 1.0 110.336 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.139 -0.934 . . . . 1.0 110.399 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 52.0 ptt85 . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.566 -0.531 . . . . 1.0 109.566 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 32.1 ptt-85 -148.12 170.21 18.31 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.557 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 92.9 m -118.45 127.97 54.16 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.559 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 85.0 m -148.48 159.24 44.24 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.561 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.419 ' CG ' ' N ' ' A' ' 6' ' ' CYS . 53.7 t-80 -147.88 167.64 24.29 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.179 -0.464 . . . . 1.0 109.948 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.419 ' N ' ' CG ' ' A' ' 5' ' ' HIS . 2.4 m -119.21 126.6 51.92 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.849 -0.426 . . . . 1.0 109.849 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -157.05 147.31 21.1 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.062 0.393 . . . . 1.0 112.062 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.1 p -61.29 -35.2 76.68 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.044 -0.525 . . . . 1.0 112.037 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -124.5 132.36 53.48 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.97 0.414 . . . . 1.0 110.712 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.2 m -108.11 124.85 50.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.458 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.579 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.8 mp -80.14 -176.14 5.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.511 -0.768 . . . . 1.0 109.887 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -65.61 -37.94 88.04 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.736 0.273 . . . . 1.0 111.736 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -59.39 -34.68 72.73 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.734 -0.212 . . . . 1.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.554 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 56.8 mp0 -101.76 164.17 11.88 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.761 0.315 . . . . 1.0 110.387 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.6 m -133.84 142.54 47.87 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.025 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.413 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 46.7 p-10 -67.89 133.9 49.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.954 0.407 . . . . 1.0 111.244 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 63.2 p -161.48 84.37 0.63 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.882 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.36 173.5 38.61 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.131 -0.788 . . . . 1.0 111.131 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.2 t -133.61 145.28 49.87 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.075 0.464 . . . . 1.0 111.262 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -132.59 153.43 51.02 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.722 -0.672 . . . . 1.0 109.704 179.313 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -113.02 108.58 17.53 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.784 0.326 . . . . 1.0 110.754 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.2 mt -126.42 132.1 70.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 109.688 -0.486 . . . . 1.0 109.688 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.409 ' C ' ' H ' ' A' ' 25' ' ' ARG . 96.6 m-20 56.56 34.99 25.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.173 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.46 -30.09 1.21 Allowed Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.706 -0.558 . . . . 1.0 111.706 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.409 ' H ' ' C ' ' A' ' 23' ' ' ASN . 99.3 mtt180 -71.4 149.1 46.29 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.841 -0.429 . . . . 1.0 109.841 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.8 mm -84.24 107.49 15.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -98.92 148.23 24.17 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.233 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.6 m -100.26 128.53 46.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.596 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.3 tp -75.44 105.43 6.47 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 108.428 -0.952 . . . . 1.0 108.428 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.7 142.07 36.07 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.15 0.5 . . . . 1.0 111.459 -178.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 90.5 m -133.1 171.46 13.96 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.582 -0.735 . . . . 1.0 110.443 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 . . . . . 0 C--O 1.219 -0.55 0 CA-C-O 118.148 -0.93 . . . . 1.0 110.281 179.737 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.514 -0.55 . . . . 1.0 109.514 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 83.9 mtm-85 42.1 27.86 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.651 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.2 p -147.99 -60.86 0.26 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.371 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 30' ' ' CYS . 5.0 t -170.24 150.71 3.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.892 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.66 ' CG ' ' H ' ' A' ' 6' ' ' CYS . 53.5 t-80 -154.89 179.77 8.79 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.987 -0.552 . . . . 1.0 109.836 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.66 ' H ' ' CG ' ' A' ' 5' ' ' HIS . 2.0 m -119.3 131.6 55.77 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 110.022 -0.362 . . . . 1.0 110.022 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -152.09 154.44 35.91 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.052 0.39 . . . . 1.0 112.052 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.3 m -59.02 -42.32 89.88 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.662 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -126.3 131.09 51.94 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.924 0.392 . . . . 1.0 110.61 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.2 m -108.4 123.31 48.66 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.319 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.602 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.3 mp -81.82 -178.61 7.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.649 -0.705 . . . . 1.0 109.949 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -62.06 -38.06 87.36 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.734 0.272 . . . . 1.0 111.734 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.441 HH21 ' NH2' ' A' ' 32' ' ' ARG . 83.3 mtp180 -58.05 -32.36 67.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 57.6 mp0 -107.56 116.5 32.05 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.693 0.282 . . . . 1.0 110.543 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.0 m -86.21 140.72 29.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.153 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.418 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 10.4 p30 -78.19 115.23 17.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.897 0.379 . . . . 1.0 110.775 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 71.2 m -104.32 -19.42 14.09 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.046 -0.525 . . . . 1.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.47 -161.92 25.78 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.198 -0.761 . . . . 1.0 111.198 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.5 t -136.02 145.88 46.55 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.077 0.465 . . . . 1.0 111.213 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.432 ' O ' ' O ' ' A' ' 27' ' ' PHE . 1.2 p -132.23 144.36 50.57 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.704 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -104.92 107.48 18.47 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.476 -0.329 . . . . 1.0 111.068 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.49 ' C ' ' H ' ' A' ' 24' ' ' GLY . 44.0 mt -124.94 128.58 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 109.344 -0.613 . . . . 1.0 109.344 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 57.6 t30 56.77 3.29 0.12 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.024 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 22' ' ' ILE . . . 79.87 16.87 76.23 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 121.09 -0.576 . . . . 1.0 111.749 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.3 mmm-85 -92.81 7.19 44.78 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 122.611 -0.347 . . . . 1.0 110.18 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.4 mm 54.85 88.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.804 -0.443 . . . . 1.0 109.804 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.432 ' O ' ' O ' ' A' ' 20' ' ' CYS . 2.3 m-85 -101.9 134.14 45.57 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.464 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.7 m -85.31 137.76 32.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.435 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.5 tp -94.05 110.82 22.5 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.318 -0.993 . . . . 1.0 108.318 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.525 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 22.4 m -125.56 142.16 51.65 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.303 0.573 . . . . 1.0 111.206 -178.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.8 m -122.84 169.55 11.0 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.367 -0.833 . . . . 1.0 110.695 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.441 ' NH2' HH21 ' A' ' 13' ' ' ARG . 85.1 mtp180 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.932 -1.033 . . . . 1.0 110.263 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.47 0.565 0 CA-C-O 120.813 0.339 . . . . 1.0 110.593 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' A' ' 6' ' ' CYS . 40.9 t-80 -153.68 169.26 23.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.976 -0.556 . . . . 1.0 109.852 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.466 ' N ' ' CG ' ' A' ' 5' ' ' HIS . 1.6 m -118.8 127.24 53.34 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.517 -0.31 . . . . 1.0 110.192 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -158.05 150.39 22.23 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.001 0.371 . . . . 1.0 112.001 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.1 m -60.12 -41.11 91.91 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.947 -0.57 . . . . 1.0 111.783 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.7 ptt-85 -118.71 120.64 38.02 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.075 0.464 . . . . 1.0 110.809 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 93.9 m -107.71 125.67 51.66 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.481 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.606 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.2 mp -79.79 -177.3 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.239 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -62.14 -37.33 84.76 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 111.603 0.224 . . . . 1.0 111.603 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -61.25 -35.74 78.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.577 -0.283 . . . . 1.0 110.952 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 58.4 mp0 -105.58 104.12 13.77 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.907 0.384 . . . . 1.0 110.452 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.6 p -80.4 151.31 29.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.217 -0.447 . . . . 1.0 109.95 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.434 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 46.0 p-10 -71.07 120.46 16.68 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.907 0.384 . . . . 1.0 111.08 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.8 m -110.68 -22.15 11.74 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.08 -0.509 . . . . 1.0 111.037 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.93 -160.69 25.3 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.246 -0.742 . . . . 1.0 111.246 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.4 t -133.21 147.01 52.0 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.087 0.47 . . . . 1.0 111.253 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.67 151.72 46.15 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.62 -0.718 . . . . 1.0 109.58 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 21' ' ' ASN . 9.5 p30 -116.64 111.08 19.35 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.464 -0.334 . . . . 1.0 111.114 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.4 mt -126.78 130.03 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-N 116.316 -0.402 . . . . 1.0 109.989 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.427 ' C ' ' H ' ' A' ' 25' ' ' ARG . 13.2 m120 56.93 34.62 25.16 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.225 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.63 -25.62 1.41 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.576 -0.61 . . . . 1.0 111.576 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.427 ' H ' ' C ' ' A' ' 23' ' ' ASN . 95.8 mtt-85 -72.9 145.06 47.12 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.883 -0.414 . . . . 1.0 109.883 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.8 mm -82.91 110.24 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.768 -0.373 . . . . 1.0 110.159 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -101.44 148.28 25.36 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.364 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -103.01 124.53 48.68 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.379 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.7 tp -80.56 94.05 6.2 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 108.239 -1.023 . . . . 1.0 108.239 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 53.2 m -105.1 143.61 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.046 -0.525 . . . . 1.0 111.464 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.0 t -142.86 -178.75 5.96 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.402 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.6 ttt85 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.995 -1.003 . . . . 1.0 110.213 179.812 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.445 ' SG ' ' O ' ' A' ' 30' ' ' CYS . 11.1 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.685 0.278 . . . . 1.0 110.689 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.507 ' ND1' ' N ' ' A' ' 6' ' ' CYS . 54.3 t-80 -139.13 174.5 10.45 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 109.919 -0.401 . . . . 1.0 109.919 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.507 ' N ' ' ND1' ' A' ' 5' ' ' HIS . 1.7 m -119.11 136.13 54.31 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.905 -0.406 . . . . 1.0 109.905 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -157.49 149.85 22.73 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.219 0.451 . . . . 1.0 112.219 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.1 m -60.24 -43.53 96.01 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.714 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -122.09 140.69 52.22 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.954 0.407 . . . . 1.0 110.511 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.1 m -114.59 128.2 56.19 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.486 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.59 ' C ' ' H ' ' A' ' 13' ' ' ARG . 9.8 mp -80.75 164.09 23.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.607 -0.724 . . . . 1.0 109.866 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -63.43 25.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.883 0.327 . . . . 1.0 111.883 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.59 ' H ' ' C ' ' A' ' 11' ' ' LEU . 42.5 ttm180 -115.28 -29.21 6.66 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 110.665 -0.124 . . . . 1.0 110.665 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.537 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 54.4 mp0 -104.82 173.91 6.1 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.747 0.308 . . . . 1.0 110.377 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.1 t -137.37 139.42 40.76 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.233 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -76.64 124.96 28.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.005 0.431 . . . . 1.0 111.069 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.0 t -121.25 -1.6 9.7 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.849 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.68 -166.01 38.58 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.124 -0.79 . . . . 1.0 111.124 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.8 m -131.95 151.71 51.55 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.065 0.46 . . . . 1.0 111.259 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -143.7 151.27 39.85 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.585 -0.734 . . . . 1.0 109.669 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.9 p-10 -116.04 110.93 19.58 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.584 -0.28 . . . . 1.0 111.223 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.9 mt -127.28 131.58 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.092 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.464 ' C ' ' H ' ' A' ' 25' ' ' ARG . 13.1 m120 56.56 34.97 25.32 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.29 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.24 -26.25 0.84 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.469 -0.652 . . . . 1.0 111.469 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.464 ' H ' ' C ' ' A' ' 23' ' ' ASN . 84.4 mtt85 -73.81 142.13 46.18 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.673 -0.411 . . . . 1.0 109.9 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.6 mm -75.11 117.46 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.659 -0.497 . . . . 1.0 109.659 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -111.8 142.78 43.74 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.289 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.8 m -99.88 139.19 35.9 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.39 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.3 tp -81.59 102.73 10.82 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.829 -0.804 . . . . 1.0 108.829 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 0.1 OUTLIER -103.38 120.37 40.66 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.18 0.514 . . . . 1.0 111.051 -178.47 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.6 m -116.1 165.97 12.53 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.597 -0.729 . . . . 1.0 110.4 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 . . . . . 0 C--O 1.219 -0.529 0 CA-C-O 118.106 -0.95 . . . . 1.0 110.463 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 30' ' ' CYS . 15.0 t . . . . . 0 N--CA 1.468 0.444 0 CA-C-O 120.807 0.337 . . . . 1.0 110.659 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.473 ' ND1' ' N ' ' A' ' 6' ' ' CYS . 57.6 t-80 -152.32 168.88 23.98 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.882 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.473 ' N ' ' ND1' ' A' ' 5' ' ' HIS . 1.1 m -118.85 130.65 55.87 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 110.087 -0.338 . . . . 1.0 110.087 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -153.28 149.34 27.81 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.141 0.422 . . . . 1.0 112.141 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.0 m -61.23 -44.54 97.09 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.068 -0.515 . . . . 1.0 111.948 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.9 mtp85 -122.24 134.01 54.7 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.924 0.392 . . . . 1.0 110.814 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.439 ' C ' HD22 ' A' ' 11' ' ' LEU . 66.5 m -110.41 139.08 45.96 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.715 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.679 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.6 mm? -92.59 170.26 9.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.627 -0.715 . . . . 1.0 110.1 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -64.08 25.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.755 0.28 . . . . 1.0 111.755 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.584 ' H ' ' C ' ' A' ' 11' ' ' LEU . 96.4 mtt180 -117.47 -24.99 7.12 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.471 0.177 . . . . 1.0 111.081 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 55.5 mp0 -113.03 166.13 11.71 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.731 0.301 . . . . 1.0 110.577 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.8 t -131.24 138.61 49.42 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.109 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -77.73 110.74 12.85 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.922 0.391 . . . . 1.0 111.088 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.1 p -102.72 -4.29 25.24 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.835 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.06 -156.94 24.56 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.203 -0.759 . . . . 1.0 111.203 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.4 p -138.4 160.75 38.71 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.11 0.481 . . . . 1.0 111.366 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 27' ' ' PHE . 1.5 p -149.38 159.79 43.98 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.63 -0.714 . . . . 1.0 109.677 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -122.3 109.94 15.06 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.688 0.28 . . . . 1.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.6 mt -130.11 130.62 65.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.226 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.418 ' C ' ' H ' ' A' ' 25' ' ' ARG . 12.0 m120 56.79 34.46 24.72 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.192 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.44 -27.26 1.26 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.686 -0.565 . . . . 1.0 111.686 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.418 ' H ' ' C ' ' A' ' 23' ' ' ASN . 32.6 mmt180 -73.23 148.05 44.07 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.894 -0.409 . . . . 1.0 109.894 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.1 mm -85.28 108.55 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.679 -0.489 . . . . 1.0 109.679 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.494 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 2.8 m-85 -100.14 138.12 37.64 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.55 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.3 m -90.8 137.11 32.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.261 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.7 tp -78.04 101.06 6.76 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.592 -0.892 . . . . 1.0 108.592 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.5 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 0.1 OUTLIER -104.8 120.37 41.22 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.124 0.488 . . . . 1.0 111.199 -178.435 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.9 m -119.57 161.11 21.17 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.582 -0.735 . . . . 1.0 110.207 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.942 -1.028 . . . . 1.0 110.442 179.895 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.5 m . . . . . 0 N--CA 1.466 0.328 0 CA-C-O 120.988 0.423 . . . . 1.0 110.737 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -149.36 168.16 24.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.232 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.5 m -119.13 124.87 47.9 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.188 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -159.83 143.77 14.53 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 120.952 0.406 . . . . 1.0 111.71 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.1 m -60.27 -41.35 93.14 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.697 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.2 mtp85 -119.44 121.44 39.47 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.993 0.425 . . . . 1.0 110.934 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.4 m -106.66 136.17 46.93 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.267 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.669 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.4 mm? -85.57 -176.29 6.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.529 -0.76 . . . . 1.0 110.253 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -62.0 -42.39 99.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.649 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -59.85 -36.78 77.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.624 -0.262 . . . . 1.0 111.106 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -101.98 125.6 48.71 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.925 -0.398 . . . . 1.0 109.925 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.4 p -102.21 146.68 27.64 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.42 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 46.6 p-10 -87.83 139.8 30.15 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.87 0.367 . . . . 1.0 111.167 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.4 t -159.58 31.4 0.19 Allowed 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.361 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.0 -176.89 41.89 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.18 -0.768 . . . . 1.0 111.18 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.5 p -142.43 159.39 42.32 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.114 0.483 . . . . 1.0 111.449 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.88 154.31 39.29 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.544 -0.753 . . . . 1.0 109.742 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -107.02 105.59 15.69 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.477 -0.329 . . . . 1.0 111.219 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.2 mt -126.65 127.99 70.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 120.874 0.368 . . . . 1.0 110.35 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.446 ' C ' ' H ' ' A' ' 25' ' ' ARG . 15.8 m120 55.37 35.55 25.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.218 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.56 -26.84 1.31 Allowed Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.366 -0.694 . . . . 1.0 111.366 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.446 ' H ' ' C ' ' A' ' 23' ' ' ASN . 92.0 mtm-85 -75.6 148.87 38.46 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.944 -0.303 . . . . 1.0 110.192 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.0 mm -87.34 111.98 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.8 -0.445 . . . . 1.0 109.8 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -98.64 149.44 22.79 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.188 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.7 t -97.01 123.2 40.68 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.442 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.6 tp -76.8 98.01 4.7 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.834 -0.802 . . . . 1.0 108.834 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.8 m -95.21 149.49 21.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.19 0.519 . . . . 1.0 111.582 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 91.5 m -139.97 -177.07 4.82 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.247 -0.888 . . . . 1.0 110.134 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.095 -0.955 . . . . 1.0 110.422 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 99.2 m . . . . . 0 N--CA 1.465 0.289 0 CA-C-O 121.033 0.444 . . . . 1.0 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.473 ' CG ' ' H ' ' A' ' 6' ' ' CYS . 45.8 t-80 -154.41 172.44 17.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.766 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.473 ' H ' ' CG ' ' A' ' 5' ' ' HIS . 7.3 m -119.14 109.11 15.5 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.798 -0.637 . . . . 1.0 109.828 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -151.24 142.06 22.86 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.528 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.7 p -65.15 -36.73 85.16 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.553 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -121.97 125.53 46.54 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.976 0.417 . . . . 1.0 111.063 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 96.8 m -106.25 140.35 39.33 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.745 -0.661 . . . . 1.0 110.513 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.664 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.4 mm? -90.16 175.47 7.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.05 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -64.51 25.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.401 -0.363 . . . . 1.0 111.85 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.588 ' H ' ' C ' ' A' ' 11' ' ' LEU . 1.3 tpm_? -115.22 -25.09 8.19 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.451 0.167 . . . . 1.0 110.686 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -119.67 174.95 6.1 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.016 0.436 . . . . 1.0 110.666 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.1 t -137.33 146.27 44.38 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.839 -0.619 . . . . 1.0 109.849 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.53 ' ND2' ' OG ' ' A' ' 28' ' ' SER . 17.1 t-20 -70.73 111.96 6.59 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.008 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.7 m -99.61 -19.22 16.94 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.695 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 163.98 -172.81 39.92 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 120.884 -0.674 . . . . 1.0 111.499 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.6 p -82.91 169.72 15.74 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.859 0.361 . . . . 1.0 110.94 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.437 ' O ' ' O ' ' A' ' 27' ' ' PHE . 2.1 t -164.47 102.5 0.83 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.202 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -99.46 109.06 21.65 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.267 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.408 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 47.7 mt -131.78 129.83 61.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 109.071 -0.715 . . . . 1.0 109.071 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 58.61 36.71 25.23 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.783 0.325 . . . . 1.0 111.481 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.88 -19.74 2.02 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 121.017 -0.611 . . . . 1.0 111.869 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HA ' ' HE ' ' A' ' 25' ' ' ARG . 0.7 OUTLIER -72.86 141.63 47.95 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.684 -0.407 . . . . 1.0 110.117 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.0 mm -89.48 86.88 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.529 -0.545 . . . . 1.0 109.529 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' CYS . 40.4 m-85 -97.41 154.8 17.23 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.927 0.394 . . . . 1.0 110.032 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.53 ' OG ' ' ND2' ' A' ' 16' ' ' ASN . 15.1 t -106.58 136.25 46.69 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.764 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.6 tp -76.01 99.31 4.54 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.414 -0.587 . . . . 1.0 109.414 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -98.46 139.87 33.55 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.728 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 71.4 m -139.72 -178.71 5.54 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.088 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.1 -0.952 . . . . 1.0 110.495 179.93 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 62.2 m . . . . . 0 N--CA 1.464 0.229 0 CA-C-O 120.505 0.193 . . . . 1.0 110.932 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.456 ' CG ' ' N ' ' A' ' 6' ' ' CYS . 56.5 t-80 -148.87 169.42 20.57 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.955 -0.387 . . . . 1.0 109.955 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.456 ' N ' ' CG ' ' A' ' 5' ' ' HIS . 6.4 m -121.48 113.55 19.99 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.903 -0.406 . . . . 1.0 109.903 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -151.01 144.61 24.99 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.121 0.415 . . . . 1.0 112.121 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.3 p -59.78 -35.85 75.49 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.987 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -120.33 112.05 18.54 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.998 0.427 . . . . 1.0 110.676 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 62.1 m -101.42 124.36 46.97 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.22 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.584 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.8 mp -74.35 -176.32 2.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.481 -0.781 . . . . 1.0 109.898 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.99 -38.98 93.07 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 111.716 0.265 . . . . 1.0 111.716 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.9 ttt85 -58.74 -36.1 73.8 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.677 -0.238 . . . . 1.0 110.758 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 57.9 mp0 -103.62 108.92 20.39 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.649 0.262 . . . . 1.0 110.424 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.9 m -79.68 142.98 35.02 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.306 -0.407 . . . . 1.0 109.991 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -73.4 115.63 13.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.921 0.391 . . . . 1.0 111.14 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.403 ' OG ' ' N ' ' A' ' 18' ' ' GLY . 25.2 p -99.79 -54.64 2.86 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.403 ' N ' ' OG ' ' A' ' 17' ' ' SER . . . -153.87 -151.31 5.72 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 111.197 -0.761 . . . . 1.0 111.197 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.9 t -135.31 148.54 49.53 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.022 0.439 . . . . 1.0 111.291 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.79 156.0 49.63 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.743 -0.662 . . . . 1.0 109.718 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -120.8 113.89 20.82 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.782 0.325 . . . . 1.0 110.862 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.3 mt -130.45 129.61 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.3 m120 51.33 32.15 8.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.041 -0.527 . . . . 1.0 111.179 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.28 -26.76 3.81 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 111.711 -0.556 . . . . 1.0 111.711 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -69.74 137.97 52.43 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.728 -0.389 . . . . 1.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.3 mm -89.75 115.13 28.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.642 -0.503 . . . . 1.0 109.642 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -114.5 149.17 36.79 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.26 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 m -92.23 126.74 37.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.603 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.5 tp -80.76 107.19 13.35 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.602 -0.888 . . . . 1.0 108.602 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.0 m -118.23 146.68 44.08 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.204 0.525 . . . . 1.0 111.321 -178.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.2 m -128.91 -179.78 5.29 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.532 -0.758 . . . . 1.0 110.373 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.5 ttp85 . . . . . 0 C--O 1.218 -0.573 0 CA-C-O 118.106 -0.949 . . . . 1.0 110.471 179.925 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.406 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 3.3 m . . . . . 0 N--CA 1.467 0.394 0 CA-C-O 120.918 0.39 . . . . 1.0 110.947 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.474 ' ND1' ' N ' ' A' ' 6' ' ' CYS . 53.8 t-80 -148.6 173.38 13.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.714 -0.675 . . . . 1.0 109.734 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.474 ' N ' ' ND1' ' A' ' 5' ' ' HIS . 1.7 m -116.93 126.86 53.6 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.95 -0.389 . . . . 1.0 109.95 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -148.9 168.54 22.77 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.816 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.8 p -58.51 -44.45 89.46 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.387 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -147.29 138.05 23.56 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.853 0.358 . . . . 1.0 110.975 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.4 m -80.73 114.78 19.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.169 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.548 ' C ' ' H ' ' A' ' 13' ' ' ARG . 10.8 mp -70.05 167.48 17.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.823 -0.626 . . . . 1.0 109.906 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.93 22.62 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.588 -0.278 . . . . 1.0 111.747 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.548 ' H ' ' C ' ' A' ' 11' ' ' LEU . 99.8 mtt180 -118.12 -24.24 7.07 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.832 -0.167 . . . . 1.0 110.842 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -116.82 130.19 56.56 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.835 0.35 . . . . 1.0 110.48 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.3 m -76.24 141.79 41.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.309 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 40.3 p-10 -83.68 113.21 20.71 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.846 0.355 . . . . 1.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.9 p -98.8 -50.59 4.17 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -150.35 -142.99 3.65 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.322 -0.711 . . . . 1.0 111.322 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 p -153.76 162.63 41.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.96 0.41 . . . . 1.0 111.17 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 27' ' ' PHE . 1.5 p -145.33 137.91 25.98 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.782 -0.645 . . . . 1.0 109.567 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -92.54 107.25 19.07 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.315 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.418 ' C ' ' H ' ' A' ' 24' ' ' GLY . 96.3 mt -125.39 125.06 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 CA-C-O 120.91 0.386 . . . . 1.0 110.113 179.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.9 m120 53.89 9.57 0.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.074 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 22' ' ' ILE . . . 76.14 16.13 80.92 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 121.029 -0.605 . . . . 1.0 111.599 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -91.72 1.78 56.93 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.863 0.363 . . . . 1.0 110.473 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.6 mm 55.32 92.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.043 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.509 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 2.5 m-85 -101.14 123.31 45.08 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.567 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.9 m -75.1 142.63 43.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.234 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.3 tp -92.58 91.84 7.75 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 108.749 -0.834 . . . . 1.0 108.749 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -95.71 138.98 32.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.883 -178.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 4' ' ' CYS . 6.8 t -149.68 169.32 21.29 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.645 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.008 -0.996 . . . . 1.0 110.361 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 75.2 m . . . . . 0 N--CA 1.463 0.21 0 CA-C-O 120.629 0.252 . . . . 1.0 110.657 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.438 ' CG ' ' N ' ' A' ' 6' ' ' CYS . 75.5 t60 -143.09 173.37 11.63 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 109.885 -0.413 . . . . 1.0 109.885 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.438 ' N ' ' CG ' ' A' ' 5' ' ' HIS . 2.0 m -119.94 112.66 19.46 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.886 -0.413 . . . . 1.0 109.886 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -149.08 141.7 24.43 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.129 0.418 . . . . 1.0 112.129 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.8 p -63.6 -40.0 95.8 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 116.035 -0.529 . . . . 1.0 112.077 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -119.49 123.21 43.46 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.059 0.457 . . . . 1.0 110.639 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.9 m -103.9 136.67 43.13 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.465 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.598 ' C ' ' H ' ' A' ' 13' ' ' ARG . 9.9 mp -78.04 166.04 23.29 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.543 -0.753 . . . . 1.0 109.778 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -63.61 23.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.718 0.266 . . . . 1.0 111.718 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.598 ' H ' ' C ' ' A' ' 11' ' ' LEU . 96.9 mtt180 -118.18 -26.92 6.21 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.819 -0.173 . . . . 1.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.543 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 55.1 mp0 -107.43 168.01 9.53 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.591 0.234 . . . . 1.0 110.491 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.0 t -136.24 141.74 43.96 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 110.017 -0.364 . . . . 1.0 110.017 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.461 ' ND2' ' OG ' ' A' ' 28' ' ' SER . 2.1 t-20 -75.71 121.42 22.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.964 0.412 . . . . 1.0 111.25 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.5 p -119.03 -0.78 11.06 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.456 ' H ' ' ND2' ' A' ' 16' ' ' ASN . . . 170.43 -165.56 38.82 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.207 -0.757 . . . . 1.0 111.207 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 p -136.94 161.38 36.19 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.023 0.44 . . . . 1.0 111.319 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 p -147.92 158.29 43.97 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.748 -0.66 . . . . 1.0 109.687 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -122.51 110.98 16.26 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.737 0.304 . . . . 1.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.8 mt -131.22 124.94 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 109.793 -0.447 . . . . 1.0 109.793 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 57.66 35.96 26.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.139 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.91 -23.66 1.69 Allowed Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.742 -0.543 . . . . 1.0 111.742 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -73.27 141.05 47.22 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.809 -0.441 . . . . 1.0 109.809 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.5 mm -92.18 115.24 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.601 -0.518 . . . . 1.0 109.601 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -113.15 150.25 32.47 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.205 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.461 ' OG ' ' ND2' ' A' ' 16' ' ' ASN . 7.5 t -98.07 125.89 43.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.682 -179.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.6 tp -68.81 99.85 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.463 -0.94 . . . . 1.0 108.463 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.56 132.75 44.69 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.225 0.536 . . . . 1.0 111.519 -178.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.8 m -124.87 163.41 22.28 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.604 -0.725 . . . . 1.0 110.336 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.139 -0.934 . . . . 1.0 110.399 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 85.0 m . . . . . 0 N--CA 1.463 0.18 0 CA-C-O 120.769 0.318 . . . . 1.0 110.561 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.419 ' CG ' ' N ' ' A' ' 6' ' ' CYS . 72.9 t60 -147.88 167.64 24.29 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.179 -0.464 . . . . 1.0 109.948 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.419 ' N ' ' CG ' ' A' ' 5' ' ' HIS . 2.4 m -119.21 126.6 51.92 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.849 -0.426 . . . . 1.0 109.849 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -157.05 147.31 21.1 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.062 0.393 . . . . 1.0 112.062 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.1 p -61.29 -35.2 76.68 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.044 -0.525 . . . . 1.0 112.037 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -124.5 132.36 53.48 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.97 0.414 . . . . 1.0 110.712 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.2 m -108.11 124.85 50.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.458 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.579 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.8 mp -80.14 -176.14 5.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.511 -0.768 . . . . 1.0 109.887 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -65.61 -37.94 88.04 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.736 0.273 . . . . 1.0 111.736 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -59.39 -34.68 72.73 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.734 -0.212 . . . . 1.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.554 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 56.8 mp0 -101.76 164.17 11.88 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.761 0.315 . . . . 1.0 110.387 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.6 m -133.84 142.54 47.87 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.025 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.413 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 46.7 p-10 -67.89 133.9 49.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.954 0.407 . . . . 1.0 111.244 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 63.2 p -161.48 84.37 0.63 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.882 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.36 173.5 38.61 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.131 -0.788 . . . . 1.0 111.131 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.2 t -133.61 145.28 49.87 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.075 0.464 . . . . 1.0 111.262 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -132.59 153.43 51.02 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.722 -0.672 . . . . 1.0 109.704 179.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -113.02 108.58 17.53 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.784 0.326 . . . . 1.0 110.754 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.2 mt -126.42 132.1 70.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 109.688 -0.486 . . . . 1.0 109.688 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.409 ' C ' ' H ' ' A' ' 25' ' ' ARG . 96.6 m-20 56.56 34.99 25.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.173 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.46 -30.09 1.21 Allowed Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.706 -0.558 . . . . 1.0 111.706 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.409 ' H ' ' C ' ' A' ' 23' ' ' ASN . 99.3 mtt180 -71.4 149.1 46.29 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.841 -0.429 . . . . 1.0 109.841 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.8 mm -84.24 107.49 15.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -98.92 148.23 24.17 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.233 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.6 m -100.26 128.53 46.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.596 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.3 tp -75.44 105.43 6.47 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 108.428 -0.952 . . . . 1.0 108.428 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.7 142.07 36.07 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.15 0.5 . . . . 1.0 111.459 -178.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 90.5 m -133.1 171.46 13.96 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.582 -0.735 . . . . 1.0 110.443 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 . . . . . 0 C--O 1.219 -0.55 0 CA-C-O 118.148 -0.93 . . . . 1.0 110.281 179.737 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 30' ' ' CYS . 5.0 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.687 0.28 . . . . 1.0 110.892 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.66 ' CG ' ' H ' ' A' ' 6' ' ' CYS . 84.3 t60 -154.89 179.77 8.79 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.987 -0.552 . . . . 1.0 109.836 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.66 ' H ' ' CG ' ' A' ' 5' ' ' HIS . 2.0 m -119.3 131.6 55.77 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 110.022 -0.362 . . . . 1.0 110.022 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -152.09 154.44 35.91 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.052 0.39 . . . . 1.0 112.052 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.3 m -59.02 -42.32 89.88 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.662 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -126.3 131.09 51.94 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.924 0.392 . . . . 1.0 110.61 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.2 m -108.4 123.31 48.66 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.319 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.602 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.3 mp -81.82 -178.61 7.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.649 -0.705 . . . . 1.0 109.949 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -62.06 -38.06 87.36 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.734 0.272 . . . . 1.0 111.734 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.441 HH21 ' NH2' ' A' ' 32' ' ' ARG . 83.3 mtp180 -58.05 -32.36 67.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 57.6 mp0 -107.56 116.5 32.05 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.693 0.282 . . . . 1.0 110.543 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.0 m -86.21 140.72 29.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.153 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.418 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 10.4 p30 -78.19 115.23 17.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.897 0.379 . . . . 1.0 110.775 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 71.2 m -104.32 -19.42 14.09 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.046 -0.525 . . . . 1.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.47 -161.92 25.78 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.198 -0.761 . . . . 1.0 111.198 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.5 t -136.02 145.88 46.55 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.077 0.465 . . . . 1.0 111.213 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.432 ' O ' ' O ' ' A' ' 27' ' ' PHE . 1.2 p -132.23 144.36 50.57 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.704 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -104.92 107.48 18.47 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.476 -0.329 . . . . 1.0 111.068 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.49 ' C ' ' H ' ' A' ' 24' ' ' GLY . 44.0 mt -124.94 128.58 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 109.344 -0.613 . . . . 1.0 109.344 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 57.6 t30 56.77 3.29 0.12 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.024 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 22' ' ' ILE . . . 79.87 16.87 76.23 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 121.09 -0.576 . . . . 1.0 111.749 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.3 mmm-85 -92.81 7.19 44.78 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 122.611 -0.347 . . . . 1.0 110.18 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.4 mm 54.85 88.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.804 -0.443 . . . . 1.0 109.804 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.432 ' O ' ' O ' ' A' ' 20' ' ' CYS . 2.3 m-85 -101.9 134.14 45.57 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.464 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.7 m -85.31 137.76 32.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.435 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.5 tp -94.05 110.82 22.5 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.318 -0.993 . . . . 1.0 108.318 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.525 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 22.4 m -125.56 142.16 51.65 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.303 0.573 . . . . 1.0 111.206 -178.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.8 m -122.84 169.55 11.0 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.367 -0.833 . . . . 1.0 110.695 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.441 ' NH2' HH21 ' A' ' 13' ' ' ARG . 85.1 mtp180 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.932 -1.033 . . . . 1.0 110.263 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.4 -0.593 . . . . 1.0 109.4 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 -73.41 153.36 40.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.607 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.507 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 23.0 m -61.2 98.92 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.344 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.1 m -129.23 159.95 34.48 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.593 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' A' ' 6' ' ' CYS . 40.9 t-80 -153.68 169.26 23.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.976 -0.556 . . . . 1.0 109.852 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.466 ' N ' ' CG ' ' A' ' 5' ' ' HIS . 1.6 m -118.8 127.24 53.34 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.517 -0.31 . . . . 1.0 110.192 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -158.05 150.39 22.23 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.001 0.371 . . . . 1.0 112.001 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.1 m -60.12 -41.11 91.91 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.947 -0.57 . . . . 1.0 111.783 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.7 ptt-85 -118.71 120.64 38.02 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.075 0.464 . . . . 1.0 110.809 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 93.9 m -107.71 125.67 51.66 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.481 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.606 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.2 mp -79.79 -177.3 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.239 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -62.14 -37.33 84.76 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 111.603 0.224 . . . . 1.0 111.603 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -61.25 -35.74 78.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.577 -0.283 . . . . 1.0 110.952 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 58.4 mp0 -105.58 104.12 13.77 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.907 0.384 . . . . 1.0 110.452 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.6 p -80.4 151.31 29.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.217 -0.447 . . . . 1.0 109.95 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.434 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 46.0 p-10 -71.07 120.46 16.68 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.907 0.384 . . . . 1.0 111.08 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.8 m -110.68 -22.15 11.74 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.08 -0.509 . . . . 1.0 111.037 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.93 -160.69 25.3 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.246 -0.742 . . . . 1.0 111.246 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.4 t -133.21 147.01 52.0 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.087 0.47 . . . . 1.0 111.253 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -139.67 151.72 46.15 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.62 -0.718 . . . . 1.0 109.58 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 21' ' ' ASN . 9.5 p30 -116.64 111.08 19.35 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.464 -0.334 . . . . 1.0 111.114 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.4 mt -126.78 130.03 71.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-N 116.316 -0.402 . . . . 1.0 109.989 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.427 ' C ' ' H ' ' A' ' 25' ' ' ARG . 13.2 m120 56.93 34.62 25.16 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.225 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.63 -25.62 1.41 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.576 -0.61 . . . . 1.0 111.576 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.427 ' H ' ' C ' ' A' ' 23' ' ' ASN . 95.8 mtt-85 -72.9 145.06 47.12 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.883 -0.414 . . . . 1.0 109.883 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.8 mm -82.91 110.24 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.768 -0.373 . . . . 1.0 110.159 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -101.44 148.28 25.36 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.364 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 t -103.01 124.53 48.68 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.379 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.7 tp -80.56 94.05 6.2 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 108.239 -1.023 . . . . 1.0 108.239 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 53.2 m -105.1 143.61 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.046 -0.525 . . . . 1.0 111.464 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' ' 3' ' ' THR . 4.0 t -142.86 -178.75 5.96 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.402 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.6 ttt85 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.995 -1.003 . . . . 1.0 110.213 179.812 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.473 -0.566 . . . . 1.0 109.473 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 -73.89 145.0 45.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.493 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.8 p -99.6 119.51 38.19 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.434 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.445 ' SG ' ' O ' ' A' ' 30' ' ' CYS . 11.1 t -160.29 151.34 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.689 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.507 ' ND1' ' N ' ' A' ' 6' ' ' CYS . 54.3 t-80 -139.13 174.5 10.45 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 109.919 -0.401 . . . . 1.0 109.919 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.507 ' N ' ' ND1' ' A' ' 5' ' ' HIS . 1.7 m -119.11 136.13 54.31 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.905 -0.406 . . . . 1.0 109.905 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -157.49 149.85 22.73 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.219 0.451 . . . . 1.0 112.219 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.1 m -60.24 -43.53 96.01 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.714 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -122.09 140.69 52.22 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.954 0.407 . . . . 1.0 110.511 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.1 m -114.59 128.2 56.19 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.486 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.59 ' C ' ' H ' ' A' ' 13' ' ' ARG . 9.8 mp -80.75 164.09 23.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.607 -0.724 . . . . 1.0 109.866 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -63.43 25.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.883 0.327 . . . . 1.0 111.883 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.59 ' H ' ' C ' ' A' ' 11' ' ' LEU . 42.5 ttm180 -115.28 -29.21 6.66 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 110.665 -0.124 . . . . 1.0 110.665 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.537 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 54.4 mp0 -104.82 173.91 6.1 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.747 0.308 . . . . 1.0 110.377 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.1 t -137.37 139.42 40.76 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.233 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -76.64 124.96 28.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.005 0.431 . . . . 1.0 111.069 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.0 t -121.25 -1.6 9.7 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.849 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.68 -166.01 38.58 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.124 -0.79 . . . . 1.0 111.124 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.8 m -131.95 151.71 51.55 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.065 0.46 . . . . 1.0 111.259 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -143.7 151.27 39.85 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.585 -0.734 . . . . 1.0 109.669 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.9 p-10 -116.04 110.93 19.58 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.584 -0.28 . . . . 1.0 111.223 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.9 mt -127.28 131.58 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.092 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.464 ' C ' ' H ' ' A' ' 25' ' ' ARG . 13.1 m120 56.56 34.97 25.32 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.29 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.24 -26.25 0.84 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.469 -0.652 . . . . 1.0 111.469 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.464 ' H ' ' C ' ' A' ' 23' ' ' ASN . 84.4 mtt85 -73.81 142.13 46.18 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.673 -0.411 . . . . 1.0 109.9 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.6 mm -75.11 117.46 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.659 -0.497 . . . . 1.0 109.659 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -111.8 142.78 43.74 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.289 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.8 m -99.88 139.19 35.9 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.39 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 45.3 tp -81.59 102.73 10.82 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.829 -0.804 . . . . 1.0 108.829 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.445 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 0.1 OUTLIER -103.38 120.37 40.66 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 121.18 0.514 . . . . 1.0 111.051 -178.47 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.6 m -116.1 165.97 12.53 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.597 -0.729 . . . . 1.0 110.4 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 . . . . . 0 C--O 1.219 -0.529 0 CA-C-O 118.106 -0.95 . . . . 1.0 110.463 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.586 -0.524 . . . . 1.0 109.586 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -67.6 139.12 56.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.501 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 90.2 m -120.59 131.15 54.5 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.476 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 30' ' ' CYS . 15.0 t -147.67 167.71 23.91 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.659 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.473 ' ND1' ' N ' ' A' ' 6' ' ' CYS . 57.6 t-80 -152.32 168.88 23.98 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.882 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.473 ' N ' ' ND1' ' A' ' 5' ' ' HIS . 1.1 m -118.85 130.65 55.87 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 110.087 -0.338 . . . . 1.0 110.087 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -153.28 149.34 27.81 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.141 0.422 . . . . 1.0 112.141 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.0 m -61.23 -44.54 97.09 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.068 -0.515 . . . . 1.0 111.948 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.9 mtp85 -122.24 134.01 54.7 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.924 0.392 . . . . 1.0 110.814 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.439 ' C ' HD22 ' A' ' 11' ' ' LEU . 66.5 m -110.41 139.08 45.96 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.715 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.679 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.6 mm? -92.59 170.26 9.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.627 -0.715 . . . . 1.0 110.1 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.3 ptp85 -64.08 25.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.755 0.28 . . . . 1.0 111.755 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.584 ' H ' ' C ' ' A' ' 11' ' ' LEU . 96.4 mtt180 -117.47 -24.99 7.12 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.471 0.177 . . . . 1.0 111.081 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 55.5 mp0 -113.03 166.13 11.71 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.731 0.301 . . . . 1.0 110.577 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.8 t -131.24 138.61 49.42 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.109 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -77.73 110.74 12.85 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.922 0.391 . . . . 1.0 111.088 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.1 p -102.72 -4.29 25.24 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.835 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.06 -156.94 24.56 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.203 -0.759 . . . . 1.0 111.203 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.4 p -138.4 160.75 38.71 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.11 0.481 . . . . 1.0 111.366 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 27' ' ' PHE . 1.5 p -149.38 159.79 43.98 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.63 -0.714 . . . . 1.0 109.677 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.1 p-10 -122.3 109.94 15.06 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.688 0.28 . . . . 1.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.6 mt -130.11 130.62 65.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.226 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.418 ' C ' ' H ' ' A' ' 25' ' ' ARG . 12.0 m120 56.79 34.46 24.72 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.192 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.44 -27.26 1.26 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.686 -0.565 . . . . 1.0 111.686 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.418 ' H ' ' C ' ' A' ' 23' ' ' ASN . 32.6 mmt180 -73.23 148.05 44.07 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.894 -0.409 . . . . 1.0 109.894 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.1 mm -85.28 108.55 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.679 -0.489 . . . . 1.0 109.679 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.494 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 2.8 m-85 -100.14 138.12 37.64 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.55 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.3 m -90.8 137.11 32.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.261 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.7 tp -78.04 101.06 6.76 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.592 -0.892 . . . . 1.0 108.592 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.5 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 0.1 OUTLIER -104.8 120.37 41.22 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.124 0.488 . . . . 1.0 111.199 -178.435 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.9 m -119.57 161.11 21.17 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.582 -0.735 . . . . 1.0 110.207 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.942 -1.028 . . . . 1.0 110.442 179.895 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.154 -0.684 . . . . 1.0 109.154 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -61.24 -43.67 98.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.579 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.462 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 94.6 m -91.55 126.61 36.7 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.595 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.462 ' SG ' ' O ' ' A' ' 3' ' ' THR . 98.5 m -154.18 159.8 41.57 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.737 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -149.36 168.16 24.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.232 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.5 m -119.13 124.87 47.9 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.188 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -159.83 143.77 14.53 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 120.952 0.406 . . . . 1.0 111.71 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.1 m -60.27 -41.35 93.14 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.697 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.2 mtp85 -119.44 121.44 39.47 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.993 0.425 . . . . 1.0 110.934 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.4 m -106.66 136.17 46.93 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.267 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.669 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.4 mm? -85.57 -176.29 6.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.529 -0.76 . . . . 1.0 110.253 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -62.0 -42.39 99.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.649 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -59.85 -36.78 77.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.624 -0.262 . . . . 1.0 111.106 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -101.98 125.6 48.71 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.925 -0.398 . . . . 1.0 109.925 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.4 p -102.21 146.68 27.64 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.42 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 46.6 p-10 -87.83 139.8 30.15 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.87 0.367 . . . . 1.0 111.167 -179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.4 t -159.58 31.4 0.19 Allowed 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.361 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.0 -176.89 41.89 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.18 -0.768 . . . . 1.0 111.18 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.5 p -142.43 159.39 42.32 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.114 0.483 . . . . 1.0 111.449 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.88 154.31 39.29 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.544 -0.753 . . . . 1.0 109.742 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -107.02 105.59 15.69 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.477 -0.329 . . . . 1.0 111.219 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.2 mt -126.65 127.99 70.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-O 120.874 0.368 . . . . 1.0 110.35 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.446 ' C ' ' H ' ' A' ' 25' ' ' ARG . 15.8 m120 55.37 35.55 25.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.218 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.56 -26.84 1.31 Allowed Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.366 -0.694 . . . . 1.0 111.366 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.446 ' H ' ' C ' ' A' ' 23' ' ' ASN . 92.0 mtm-85 -75.6 148.87 38.46 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.944 -0.303 . . . . 1.0 110.192 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 43.0 mm -87.34 111.98 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 N-CA-C 109.8 -0.445 . . . . 1.0 109.8 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -98.64 149.44 22.79 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.188 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.7 t -97.01 123.2 40.68 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.442 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.6 tp -76.8 98.01 4.7 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.834 -0.802 . . . . 1.0 108.834 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.8 m -95.21 149.49 21.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.19 0.519 . . . . 1.0 111.582 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 91.5 m -139.97 -177.07 4.82 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.247 -0.888 . . . . 1.0 110.134 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.095 -0.955 . . . . 1.0 110.422 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.5 -0.556 . . . . 1.0 109.5 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -72.14 145.22 48.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.033 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.488 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 92.4 m -118.31 125.86 50.94 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.21 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 3' ' ' THR . 99.2 m -154.88 164.43 38.85 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.033 0.444 . . . . 1.0 110.885 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.473 ' CG ' ' H ' ' A' ' 6' ' ' CYS . 45.8 t-80 -154.41 172.44 17.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.766 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.473 ' H ' ' CG ' ' A' ' 5' ' ' HIS . 7.3 m -119.14 109.11 15.5 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.798 -0.637 . . . . 1.0 109.828 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -151.24 142.06 22.86 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.528 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.7 p -65.15 -36.73 85.16 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.553 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -121.97 125.53 46.54 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 120.976 0.417 . . . . 1.0 111.063 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 96.8 m -106.25 140.35 39.33 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.745 -0.661 . . . . 1.0 110.513 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.664 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.4 mm? -90.16 175.47 7.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.05 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 -64.51 25.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.401 -0.363 . . . . 1.0 111.85 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.588 ' H ' ' C ' ' A' ' 11' ' ' LEU . 1.3 tpm_? -115.22 -25.09 8.19 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.451 0.167 . . . . 1.0 110.686 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -119.67 174.95 6.1 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.016 0.436 . . . . 1.0 110.666 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.1 t -137.33 146.27 44.38 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.839 -0.619 . . . . 1.0 109.849 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.53 ' ND2' ' OG ' ' A' ' 28' ' ' SER . 17.1 t-20 -70.73 111.96 6.59 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.008 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.7 m -99.61 -19.22 16.94 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.695 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 163.98 -172.81 39.92 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 120.884 -0.674 . . . . 1.0 111.499 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.6 p -82.91 169.72 15.74 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.859 0.361 . . . . 1.0 110.94 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.437 ' O ' ' O ' ' A' ' 27' ' ' PHE . 2.1 t -164.47 102.5 0.83 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.202 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -99.46 109.06 21.65 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.267 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.408 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 47.7 mt -131.78 129.83 61.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 109.071 -0.715 . . . . 1.0 109.071 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 58.61 36.71 25.23 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.783 0.325 . . . . 1.0 111.481 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.88 -19.74 2.02 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 121.017 -0.611 . . . . 1.0 111.869 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HA ' ' HE ' ' A' ' 25' ' ' ARG . 0.7 OUTLIER -72.86 141.63 47.95 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.684 -0.407 . . . . 1.0 110.117 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.0 mm -89.48 86.88 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.529 -0.545 . . . . 1.0 109.529 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' CYS . 40.4 m-85 -97.41 154.8 17.23 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.927 0.394 . . . . 1.0 110.032 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.53 ' OG ' ' ND2' ' A' ' 16' ' ' ASN . 15.1 t -106.58 136.25 46.69 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.764 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.6 tp -76.01 99.31 4.54 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.414 -0.587 . . . . 1.0 109.414 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -98.46 139.87 33.55 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.728 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 71.4 m -139.72 -178.71 5.54 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.088 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.1 -0.952 . . . . 1.0 110.495 179.93 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.533 -0.543 . . . . 1.0 109.533 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -79.88 147.97 31.5 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.628 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.488 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 55.8 p -73.5 135.08 44.01 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.55 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 3' ' ' THR . 62.2 m -153.8 164.85 37.65 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.932 179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.456 ' CG ' ' N ' ' A' ' 6' ' ' CYS . 56.5 t-80 -148.87 169.42 20.57 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.955 -0.387 . . . . 1.0 109.955 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.456 ' N ' ' CG ' ' A' ' 5' ' ' HIS . 6.4 m -121.48 113.55 19.99 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.903 -0.406 . . . . 1.0 109.903 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -151.01 144.61 24.99 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.121 0.415 . . . . 1.0 112.121 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.3 p -59.78 -35.85 75.49 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.987 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -120.33 112.05 18.54 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.998 0.427 . . . . 1.0 110.676 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 62.1 m -101.42 124.36 46.97 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.22 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.584 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.8 mp -74.35 -176.32 2.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.481 -0.781 . . . . 1.0 109.898 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.99 -38.98 93.07 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 111.716 0.265 . . . . 1.0 111.716 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.9 ttt85 -58.74 -36.1 73.8 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.677 -0.238 . . . . 1.0 110.758 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 57.9 mp0 -103.62 108.92 20.39 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.649 0.262 . . . . 1.0 110.424 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.9 m -79.68 142.98 35.02 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.306 -0.407 . . . . 1.0 109.991 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -73.4 115.63 13.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.921 0.391 . . . . 1.0 111.14 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.403 ' OG ' ' N ' ' A' ' 18' ' ' GLY . 25.2 p -99.79 -54.64 2.86 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.403 ' N ' ' OG ' ' A' ' 17' ' ' SER . . . -153.87 -151.31 5.72 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 111.197 -0.761 . . . . 1.0 111.197 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.9 t -135.31 148.54 49.53 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.022 0.439 . . . . 1.0 111.291 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.79 156.0 49.63 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.743 -0.662 . . . . 1.0 109.718 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -120.8 113.89 20.82 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.782 0.325 . . . . 1.0 110.862 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.3 mt -130.45 129.61 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.3 m120 51.33 32.15 8.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.041 -0.527 . . . . 1.0 111.179 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.28 -26.76 3.81 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 111.711 -0.556 . . . . 1.0 111.711 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -69.74 137.97 52.43 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.728 -0.389 . . . . 1.0 109.978 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.3 mm -89.75 115.13 28.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.642 -0.503 . . . . 1.0 109.642 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -114.5 149.17 36.79 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.26 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.9 m -92.23 126.74 37.44 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.603 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.5 tp -80.76 107.19 13.35 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.602 -0.888 . . . . 1.0 108.602 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.0 m -118.23 146.68 44.08 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.204 0.525 . . . . 1.0 111.321 -178.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.2 m -128.91 -179.78 5.29 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.532 -0.758 . . . . 1.0 110.373 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.5 ttp85 . . . . . 0 C--O 1.218 -0.573 0 CA-C-O 118.106 -0.949 . . . . 1.0 110.471 179.925 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -100.86 101.71 12.6 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.494 ' OG1' ' N ' ' A' ' 4' ' ' CYS . 6.0 t -174.85 -141.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.391 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.494 ' N ' ' OG1' ' A' ' 3' ' ' THR . 3.3 m -98.55 136.05 39.21 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.918 0.39 . . . . 1.0 110.947 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.474 ' ND1' ' N ' ' A' ' 6' ' ' CYS . 53.8 t-80 -148.6 173.38 13.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.714 -0.675 . . . . 1.0 109.734 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.474 ' N ' ' ND1' ' A' ' 5' ' ' HIS . 1.7 m -116.93 126.86 53.6 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.95 -0.389 . . . . 1.0 109.95 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -148.9 168.54 22.77 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.816 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.8 p -58.51 -44.45 89.46 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.387 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -147.29 138.05 23.56 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.853 0.358 . . . . 1.0 110.975 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.4 m -80.73 114.78 19.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.169 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.548 ' C ' ' H ' ' A' ' 13' ' ' ARG . 10.8 mp -70.05 167.48 17.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.823 -0.626 . . . . 1.0 109.906 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.93 22.62 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.588 -0.278 . . . . 1.0 111.747 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.548 ' H ' ' C ' ' A' ' 11' ' ' LEU . 99.8 mtt180 -118.12 -24.24 7.07 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.832 -0.167 . . . . 1.0 110.842 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -116.82 130.19 56.56 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.835 0.35 . . . . 1.0 110.48 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.3 m -76.24 141.79 41.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.309 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 40.3 p-10 -83.68 113.21 20.71 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.846 0.355 . . . . 1.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.9 p -98.8 -50.59 4.17 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -150.35 -142.99 3.65 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.322 -0.711 . . . . 1.0 111.322 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.8 p -153.76 162.63 41.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.96 0.41 . . . . 1.0 111.17 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.509 ' SG ' ' O ' ' A' ' 27' ' ' PHE . 1.5 p -145.33 137.91 25.98 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.782 -0.645 . . . . 1.0 109.567 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -92.54 107.25 19.07 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.315 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.418 ' C ' ' H ' ' A' ' 24' ' ' GLY . 96.3 mt -125.39 125.06 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 CA-C-O 120.91 0.386 . . . . 1.0 110.113 179.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.9 m120 53.89 9.57 0.21 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.074 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 22' ' ' ILE . . . 76.14 16.13 80.92 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 121.029 -0.605 . . . . 1.0 111.599 179.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -91.72 1.78 56.93 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.863 0.363 . . . . 1.0 110.473 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 46.6 mm 55.32 92.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.043 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.509 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 2.5 m-85 -101.14 123.31 45.08 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.567 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.9 m -75.1 142.63 43.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.234 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.3 tp -92.58 91.84 7.75 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 108.749 -0.834 . . . . 1.0 108.749 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -95.71 138.98 32.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.883 -178.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 4' ' ' CYS . 6.8 t -149.68 169.32 21.29 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.645 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.008 -0.996 . . . . 1.0 110.361 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 . . . . . 0 N--CA 1.488 1.475 0 N-CA-C 109.516 -0.55 . . . . 1.0 109.516 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 89.8 mtm-85 -65.36 -39.75 92.72 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.534 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 86.7 m -89.11 132.51 34.77 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.481 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 75.2 m -146.53 156.75 43.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.657 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.438 ' CG ' ' N ' ' A' ' 6' ' ' CYS . 75.5 t60 -143.09 173.37 11.63 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 109.885 -0.413 . . . . 1.0 109.885 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.438 ' N ' ' CG ' ' A' ' 5' ' ' HIS . 2.0 m -119.94 112.66 19.46 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 109.886 -0.413 . . . . 1.0 109.886 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -149.08 141.7 24.43 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.129 0.418 . . . . 1.0 112.129 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.8 p -63.6 -40.0 95.8 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 116.035 -0.529 . . . . 1.0 112.077 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -119.49 123.21 43.46 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.059 0.457 . . . . 1.0 110.639 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.9 m -103.9 136.67 43.13 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.465 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.598 ' C ' ' H ' ' A' ' 13' ' ' ARG . 9.9 mp -78.04 166.04 23.29 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.543 -0.753 . . . . 1.0 109.778 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -63.61 23.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.718 0.266 . . . . 1.0 111.718 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.598 ' H ' ' C ' ' A' ' 11' ' ' LEU . 96.9 mtt180 -118.18 -26.92 6.21 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.819 -0.173 . . . . 1.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.543 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 55.1 mp0 -107.43 168.01 9.53 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.591 0.234 . . . . 1.0 110.491 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.0 t -136.24 141.74 43.96 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 110.017 -0.364 . . . . 1.0 110.017 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.461 ' ND2' ' OG ' ' A' ' 28' ' ' SER . 2.1 t-20 -75.71 121.42 22.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.964 0.412 . . . . 1.0 111.25 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.5 p -119.03 -0.78 11.06 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.456 ' H ' ' ND2' ' A' ' 16' ' ' ASN . . . 170.43 -165.56 38.82 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.207 -0.757 . . . . 1.0 111.207 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.0 p -136.94 161.38 36.19 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.023 0.44 . . . . 1.0 111.319 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.2 p -147.92 158.29 43.97 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.748 -0.66 . . . . 1.0 109.687 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -122.51 110.98 16.26 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.737 0.304 . . . . 1.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.8 mt -131.22 124.94 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 109.793 -0.447 . . . . 1.0 109.793 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 57.66 35.96 26.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.139 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.91 -23.66 1.69 Allowed Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.742 -0.543 . . . . 1.0 111.742 178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -73.27 141.05 47.22 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.809 -0.441 . . . . 1.0 109.809 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.5 mm -92.18 115.24 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.601 -0.518 . . . . 1.0 109.601 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -113.15 150.25 32.47 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.205 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.461 ' OG ' ' ND2' ' A' ' 16' ' ' ASN . 7.5 t -98.07 125.89 43.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.682 -179.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.6 tp -68.81 99.85 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.463 -0.94 . . . . 1.0 108.463 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.56 132.75 44.69 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.225 0.536 . . . . 1.0 111.519 -178.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 72.8 m -124.87 163.41 22.28 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.604 -0.725 . . . . 1.0 110.336 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.139 -0.934 . . . . 1.0 110.399 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 52.0 ptt85 . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.566 -0.531 . . . . 1.0 109.566 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 32.1 ptt-85 -148.12 170.21 18.31 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.557 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 92.9 m -118.45 127.97 54.16 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.559 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 85.0 m -148.48 159.24 44.24 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.561 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.419 ' CG ' ' N ' ' A' ' 6' ' ' CYS . 72.9 t60 -147.88 167.64 24.29 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.179 -0.464 . . . . 1.0 109.948 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.419 ' N ' ' CG ' ' A' ' 5' ' ' HIS . 2.4 m -119.21 126.6 51.92 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.849 -0.426 . . . . 1.0 109.849 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -157.05 147.31 21.1 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.062 0.393 . . . . 1.0 112.062 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.1 p -61.29 -35.2 76.68 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.044 -0.525 . . . . 1.0 112.037 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -124.5 132.36 53.48 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.97 0.414 . . . . 1.0 110.712 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.2 m -108.11 124.85 50.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.458 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.579 ' N ' HD12 ' A' ' 11' ' ' LEU . 9.8 mp -80.14 -176.14 5.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.511 -0.768 . . . . 1.0 109.887 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -65.61 -37.94 88.04 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.736 0.273 . . . . 1.0 111.736 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -59.39 -34.68 72.73 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.734 -0.212 . . . . 1.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.554 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 56.8 mp0 -101.76 164.17 11.88 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.761 0.315 . . . . 1.0 110.387 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.6 m -133.84 142.54 47.87 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.025 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.413 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 46.7 p-10 -67.89 133.9 49.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.954 0.407 . . . . 1.0 111.244 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 63.2 p -161.48 84.37 0.63 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.882 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.36 173.5 38.61 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.131 -0.788 . . . . 1.0 111.131 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.2 t -133.61 145.28 49.87 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.075 0.464 . . . . 1.0 111.262 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -132.59 153.43 51.02 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.722 -0.672 . . . . 1.0 109.704 179.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.1 p-10 -113.02 108.58 17.53 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.784 0.326 . . . . 1.0 110.754 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.2 mt -126.42 132.1 70.69 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 109.688 -0.486 . . . . 1.0 109.688 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.409 ' C ' ' H ' ' A' ' 25' ' ' ARG . 96.6 m-20 56.56 34.99 25.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.173 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.46 -30.09 1.21 Allowed Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.706 -0.558 . . . . 1.0 111.706 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.409 ' H ' ' C ' ' A' ' 23' ' ' ASN . 99.3 mtt180 -71.4 149.1 46.29 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.841 -0.429 . . . . 1.0 109.841 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.8 mm -84.24 107.49 15.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -98.92 148.23 24.17 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.233 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.6 m -100.26 128.53 46.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.596 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.3 tp -75.44 105.43 6.47 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 108.428 -0.952 . . . . 1.0 108.428 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.7 142.07 36.07 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.15 0.5 . . . . 1.0 111.459 -178.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 90.5 m -133.1 171.46 13.96 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.582 -0.735 . . . . 1.0 110.443 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 . . . . . 0 C--O 1.219 -0.55 0 CA-C-O 118.148 -0.93 . . . . 1.0 110.281 179.737 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.514 -0.55 . . . . 1.0 109.514 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 83.9 mtm-85 42.1 27.86 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.651 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.2 p -147.99 -60.86 0.26 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.371 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 30' ' ' CYS . 5.0 t -170.24 150.71 3.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.892 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.66 ' CG ' ' H ' ' A' ' 6' ' ' CYS . 84.3 t60 -154.89 179.77 8.79 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.987 -0.552 . . . . 1.0 109.836 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.66 ' H ' ' CG ' ' A' ' 5' ' ' HIS . 2.0 m -119.3 131.6 55.77 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 110.022 -0.362 . . . . 1.0 110.022 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -152.09 154.44 35.91 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.052 0.39 . . . . 1.0 112.052 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.3 m -59.02 -42.32 89.88 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.662 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -126.3 131.09 51.94 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.924 0.392 . . . . 1.0 110.61 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.2 m -108.4 123.31 48.66 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.319 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.602 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.3 mp -81.82 -178.61 7.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.649 -0.705 . . . . 1.0 109.949 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -62.06 -38.06 87.36 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.734 0.272 . . . . 1.0 111.734 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.441 HH21 ' NH2' ' A' ' 32' ' ' ARG . 83.3 mtp180 -58.05 -32.36 67.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 14' ' ' GLU . 57.6 mp0 -107.56 116.5 32.05 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.693 0.282 . . . . 1.0 110.543 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.0 m -86.21 140.72 29.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.153 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.418 ' O ' ' OD1' ' A' ' 16' ' ' ASN . 10.4 p30 -78.19 115.23 17.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.897 0.379 . . . . 1.0 110.775 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 71.2 m -104.32 -19.42 14.09 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.046 -0.525 . . . . 1.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.47 -161.92 25.78 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.198 -0.761 . . . . 1.0 111.198 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.5 t -136.02 145.88 46.55 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.077 0.465 . . . . 1.0 111.213 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.432 ' O ' ' O ' ' A' ' 27' ' ' PHE . 1.2 p -132.23 144.36 50.57 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.704 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -104.92 107.48 18.47 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.476 -0.329 . . . . 1.0 111.068 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.49 ' C ' ' H ' ' A' ' 24' ' ' GLY . 44.0 mt -124.94 128.58 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 109.344 -0.613 . . . . 1.0 109.344 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 57.6 t30 56.77 3.29 0.12 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.024 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 22' ' ' ILE . . . 79.87 16.87 76.23 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 121.09 -0.576 . . . . 1.0 111.749 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.3 mmm-85 -92.81 7.19 44.78 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 122.611 -0.347 . . . . 1.0 110.18 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.4 mm 54.85 88.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.804 -0.443 . . . . 1.0 109.804 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.432 ' O ' ' O ' ' A' ' 20' ' ' CYS . 2.3 m-85 -101.9 134.14 45.57 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.464 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.7 m -85.31 137.76 32.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.435 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 23.5 tp -94.05 110.82 22.5 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.318 -0.993 . . . . 1.0 108.318 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.525 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 22.4 m -125.56 142.16 51.65 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.303 0.573 . . . . 1.0 111.206 -178.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 5.8 m -122.84 169.55 11.0 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.367 -0.833 . . . . 1.0 110.695 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.441 ' NH2' HH21 ' A' ' 13' ' ' ARG . 85.1 mtp180 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.932 -1.033 . . . . 1.0 110.263 179.966 . . . . . . . . 1 1 . 1 stop_ save_