data_2aqf_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 2aqf _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -148.73 -171.97 3.99 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.253 -1.145 . . . . 0.0 110.36 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -66.67 151.05 48.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.289 -0.882 . . . . 0.0 110.35 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.1 m -116.82 -14.82 10.72 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.228 -0.92 . . . . 0.0 110.686 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.35 25.13 73.7 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -113.23 -44.93 3.19 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.262 -1.14 . . . . 0.0 110.318 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 52.77 -154.6 0.21 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.217 -0.927 . . . . 0.0 110.42 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 9' ' ' ALA . 30.9 t -89.14 12.45 15.72 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.208 -0.932 . . . . 0.0 110.935 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.414 ' HB3' ' CG2' ' A' ' 15' ' ' THR . . . 58.0 118.83 0.01 OUTLIER Pre-proline 0 N--CA 1.497 1.918 0 O-C-N 121.538 -0.726 . . . . 0.0 111.319 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.412 ' HB3' ' NE2' ' A' ' 32' ' ' GLN . 7.5 Cg_exo -69.64 167.41 24.35 Favored 'Trans proline' 0 C--N 1.315 -1.236 0 O-C-N 123.242 1.127 . . . . 0.0 110.46 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -64.53 177.83 1.99 Allowed 'Trans proline' 0 C--N 1.313 -1.333 0 O-C-N 123.665 1.35 . . . . 0.0 111.038 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.4 HD22 ' CG ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER 52.52 -167.73 0.05 Allowed 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.327 0.584 . . . . 0.0 110.884 179.616 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -87.27 97.72 10.93 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.293 -0.879 . . . . 0.0 110.936 -178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.422 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -178.08 42.3 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.342 -0.849 . . . . 0.0 110.02 179.035 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.414 ' CG2' ' HB3' ' A' ' 9' ' ' ALA . 71.9 p -102.6 -35.85 8.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.404 -0.81 . . . . 0.0 110.135 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.81 22.51 3.46 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.449 ' HB3' ' HG2' ' A' ' 38' ' ' PRO . 20.3 mt -69.31 166.41 29.98 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.169 -1.194 . . . . 0.0 110.262 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 17' ' ' LEU . 60.5 Cg_endo -74.47 98.81 1.15 Allowed 'Trans proline' 0 C--N 1.312 -1.352 0 O-C-N 123.747 1.393 . . . . 0.0 111.47 -178.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.434 ' HA3' ' HB2' ' A' ' 38' ' ' PRO . . . 131.98 -35.74 2.33 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.289 -1.525 . . . . 0.0 109.289 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.41 ' HA ' ' CD1' ' A' ' 23' ' ' LEU . 4.4 m -52.08 -30.02 24.1 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.113 -1.228 . . . . 0.0 109.417 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -57.68 -20.16 31.89 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.627 -0.671 . . . . 0.0 109.475 177.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -111.95 -22.67 10.95 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.186 -0.946 . . . . 0.0 110.299 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.41 ' CD1' ' HA ' ' A' ' 20' ' ' THR . 29.2 mt -52.41 124.08 12.52 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.22 -0.925 . . . . 0.0 110.39 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -70.96 169.27 15.22 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.317 -0.864 . . . . 0.0 110.554 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 26' ' ' LYS . 3.6 pt-20 -61.99 -22.6 65.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.214 -0.928 . . . . 0.0 110.453 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 25' ' ' GLU . 5.6 mttm -85.33 -58.0 2.85 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.275 -0.891 . . . . 0.0 110.134 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -55.74 -34.25 65.01 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.3 -0.875 . . . . 0.0 110.082 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -54.26 -58.31 7.88 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.295 -0.878 . . . . 0.0 110.194 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -58.39 -37.26 74.93 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.199 -0.938 . . . . 0.0 110.172 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 tp -60.21 -46.54 89.38 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.299 -0.876 . . . . 0.0 110.211 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 35' ' ' ARG . 1.7 m -72.7 -42.71 63.9 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.259 -0.901 . . . . 0.0 110.065 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.412 ' NE2' ' HB3' ' A' ' 10' ' ' PRO . 17.2 mt-30 -57.35 -55.69 31.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.25 -0.906 . . . . 0.0 109.955 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 64.8 t -54.29 -40.49 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.319 -0.863 . . . . 0.0 109.902 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.472 ' CG1' ' CD1' ' A' ' 36' ' ' LEU . 50.4 t -88.48 4.13 5.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 O-C-N 121.359 -0.838 . . . . 0.0 110.533 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' CYS . 53.3 mtt180 53.31 50.15 18.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.983 -1.073 . . . . 0.0 110.16 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.472 ' CD1' ' CG1' ' A' ' 34' ' ' VAL . 1.0 OUTLIER -99.21 178.34 4.94 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.335 -0.853 . . . . 0.0 110.778 -179.187 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.447 ' HB ' ' CB ' ' A' ' 40' ' ' ALA . 12.7 t -110.94 154.59 43.32 Favored Pre-proline 0 N--CA 1.49 1.531 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.449 ' HG2' ' HB3' ' A' ' 17' ' ' LEU . 8.2 Cg_exo -63.84 -70.43 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.381 0 O-C-N 123.396 1.209 . . . . 0.0 110.633 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.71 -42.52 52.53 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.447 ' CB ' ' HB ' ' A' ' 37' ' ' VAL . . . -54.87 -63.29 1.2 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.256 -1.144 . . . . 0.0 109.914 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.464 ' CE1' HG22 ' A' ' 77' ' ' ILE . 69.7 t80 -57.82 -48.17 80.52 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.313 -0.867 . . . . 0.0 110.223 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.417 ' CD1' ' O ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -51.77 -31.69 27.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.22 -0.925 . . . . 0.0 110.127 179.412 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -73.14 -61.48 1.8 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.41 -0.806 . . . . 0.0 110.095 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -52.93 -42.04 65.03 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.249 -0.907 . . . . 0.0 110.23 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.435 ' HG2' ' CD2' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -58.54 -42.09 87.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.271 -0.893 . . . . 0.0 110.128 179.413 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -51.38 31.86 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.272 -0.893 . . . . 0.0 110.33 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.45 -49.51 76.03 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.364 -0.835 . . . . 0.0 110.418 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.424 ' N ' HD13 ' A' ' 48' ' ' LEU . 7.8 mp -55.73 -40.59 72.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.192 -0.942 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.28 -44.43 95.09 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.265 -0.897 . . . . 0.0 110.376 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -68.24 -51.56 43.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.243 -0.911 . . . . 0.0 110.341 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.21 -51.24 70.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.208 -0.932 . . . . 0.0 110.358 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 38.2 t -52.1 -43.3 63.87 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.193 -0.942 . . . . 0.0 110.297 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -68.93 -33.12 73.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.284 -0.885 . . . . 0.0 110.099 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -55.63 9.03 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.334 -0.854 . . . . 0.0 110.262 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -76.83 -32.45 57.57 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.308 -0.87 . . . . 0.0 110.245 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.84 104.62 0.01 OUTLIER Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 112.64 35.64 1.69 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.428 ' HG ' ' CB ' ' A' ' 62' ' ' GLN . 0.4 OUTLIER -87.63 136.84 32.78 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.154 -1.204 . . . . 0.0 110.131 179.559 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.414 ' CZ ' ' HE2' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -107.55 -169.83 1.6 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.163 -0.96 . . . . 0.0 110.644 -179.308 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.431 HD12 ' CD2' ' A' ' 78' ' ' TYR . 0.3 OUTLIER -64.0 -44.6 92.14 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.365 -0.835 . . . . 0.0 110.351 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.81 -49.67 28.3 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.345 -0.847 . . . . 0.0 110.775 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.428 ' CB ' ' HG ' ' A' ' 58' ' ' LEU . 1.7 mt-30 -59.12 -35.3 73.22 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.163 -0.961 . . . . 0.0 109.883 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.532 ' CB ' ' CD1' ' A' ' 78' ' ' TYR . . . -64.97 -57.02 9.83 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.37 -0.831 . . . . 0.0 110.115 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.437 ' HA ' ' CG2' ' A' ' 74' ' ' THR . 59.4 mtm180 -56.43 -19.41 14.97 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.32 -0.863 . . . . 0.0 110.282 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.27 -55.78 3.29 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.237 -0.914 . . . . 0.0 110.205 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.54 -64.18 0.91 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.184 -0.947 . . . . 0.0 110.1 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.51 HD13 HG22 ' A' ' 67' ' ' ILE . 28.1 pt -101.94 59.1 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.424 -0.798 . . . . 0.0 109.475 178.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.61 59.99 0.06 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.511 -0.743 . . . . 0.0 111.569 -178.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.436 ' CD1' ' HB3' ' A' ' 73' ' ' LYS . 35.0 pt -69.22 -25.74 30.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 120.985 -1.072 . . . . 0.0 109.286 177.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.447 ' HB3' ' CE ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -175.86 -152.79 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.515 -0.741 . . . . 0.0 109.887 179.043 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.2 t -101.19 -64.96 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 120.899 -1.126 . . . . 0.0 110.823 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -81.79 -20.14 39.78 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.215 -0.928 . . . . 0.0 109.78 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.447 ' CE ' ' HB3' ' A' ' 70' ' ' ASP . 0.3 OUTLIER -60.16 -49.58 77.05 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.578 -0.701 . . . . 0.0 110.5 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.437 ' CG2' ' HA ' ' A' ' 64' ' ' ARG . 54.0 m -72.47 -30.22 64.35 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.184 -0.947 . . . . 0.0 110.069 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -33.24 75.15 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.292 -0.88 . . . . 0.0 110.334 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.471 ' CD ' ' CG2' ' A' ' 34' ' ' VAL . 94.0 mttt -75.64 -45.38 37.61 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.194 -0.941 . . . . 0.0 109.662 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.464 HG22 ' CE1' ' A' ' 41' ' ' TYR . 56.2 mt -62.24 -45.86 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.337 -0.852 . . . . 0.0 109.768 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.532 ' CD1' ' CB ' ' A' ' 63' ' ' ALA . 1.5 t80 -69.34 -50.75 43.51 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.286 -0.884 . . . . 0.0 110.234 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -51.53 -24.67 5.5 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.152 -0.968 . . . . 0.0 109.964 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.431 ' O ' ' CG ' ' A' ' 84' ' ' GLU . 42.2 t80 -74.8 -56.69 4.51 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.334 -0.854 . . . . 0.0 109.711 178.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.438 ' CB ' HG12 ' A' ' 87' ' ' ILE . 1.9 mt -61.46 -33.67 74.15 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.161 -0.962 . . . . 0.0 110.099 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.403 HG22 ' HD2' ' A' ' 83' ' ' ARG . 22.5 mm -67.6 -62.11 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.29 -0.881 . . . . 0.0 110.506 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.415 ' HD2' ' N ' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -63.31 -35.41 80.27 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.466 -0.771 . . . . 0.0 110.916 -178.875 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 6.9 mm-40 -65.39 -53.44 43.18 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.084 -1.01 . . . . 0.0 110.546 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 136.27 -7.01 4.01 Favored Glycine 0 N--CA 1.491 2.318 0 C-N-CA 119.888 -1.149 . . . . 0.0 110.287 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -60.45 -39.9 89.22 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.797 -1.414 . . . . 0.0 109.959 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.438 HG12 ' CB ' ' A' ' 81' ' ' LEU . 48.1 pt -130.78 178.74 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.416 -0.803 . . . . 0.0 109.717 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.4 p -121.02 166.81 13.34 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.025 -1.047 . . . . 0.0 110.83 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.414 ' HE2' ' CZ ' ' A' ' 59' ' ' ARG . 7.7 tttt -114.32 62.0 0.67 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.441 -0.787 . . . . 0.0 110.317 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.371 -179.803 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -148.73 -171.97 3.99 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.253 -1.145 . . . . 0.0 110.36 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -66.67 151.05 48.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.289 -0.882 . . . . 0.0 110.35 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.1 m -116.82 -14.82 10.72 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.228 -0.92 . . . . 0.0 110.686 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.35 25.13 73.7 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -113.23 -44.93 3.19 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.262 -1.14 . . . . 0.0 110.318 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 52.77 -154.6 0.21 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.217 -0.927 . . . . 0.0 110.42 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.429 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 30.9 t -89.14 12.45 15.72 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.208 -0.932 . . . . 0.0 110.935 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.689 ' HB1' ' CG2' ' A' ' 15' ' ' THR . . . 58.0 118.83 0.01 OUTLIER Pre-proline 0 N--CA 1.497 1.918 0 O-C-N 121.538 -0.726 . . . . 0.0 111.319 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.441 ' HB3' ' NE2' ' A' ' 32' ' ' GLN . 7.5 Cg_exo -69.64 167.41 24.35 Favored 'Trans proline' 0 C--N 1.315 -1.236 0 O-C-N 123.242 1.127 . . . . 0.0 110.46 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -64.53 177.83 1.99 Allowed 'Trans proline' 0 C--N 1.313 -1.333 0 O-C-N 123.665 1.35 . . . . 0.0 111.038 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.591 HD22 ' HA ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER 52.52 -167.73 0.05 Allowed 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.327 0.584 . . . . 0.0 110.884 179.616 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.613 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.1 m-20 -87.27 97.72 10.93 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.293 -0.879 . . . . 0.0 110.936 -178.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -178.08 42.3 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.342 -0.849 . . . . 0.0 110.02 179.035 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.689 ' CG2' ' HB1' ' A' ' 9' ' ' ALA . 71.9 p -102.6 -35.85 8.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.404 -0.81 . . . . 0.0 110.135 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.81 22.51 3.46 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.498 ' HB3' ' HG2' ' A' ' 38' ' ' PRO . 20.3 mt -69.31 166.41 29.98 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.169 -1.194 . . . . 0.0 110.262 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.415 ' O ' ' HB2' ' A' ' 38' ' ' PRO . 60.5 Cg_endo -74.47 98.81 1.15 Allowed 'Trans proline' 0 C--N 1.312 -1.352 0 O-C-N 123.747 1.393 . . . . 0.0 111.47 -178.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.465 ' HA3' ' HB2' ' A' ' 38' ' ' PRO . . . 131.98 -35.74 2.33 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.289 -1.525 . . . . 0.0 109.289 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.594 ' HA ' HD12 ' A' ' 23' ' ' LEU . 4.4 m -52.08 -30.02 24.1 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.113 -1.228 . . . . 0.0 109.417 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -57.68 -20.16 31.89 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.627 -0.671 . . . . 0.0 109.475 177.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -111.95 -22.67 10.95 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.186 -0.946 . . . . 0.0 110.299 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 20' ' ' THR . 29.2 mt -52.41 124.08 12.52 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.22 -0.925 . . . . 0.0 110.39 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -70.96 169.27 15.22 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.317 -0.864 . . . . 0.0 110.554 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 26' ' ' LYS . 3.6 pt-20 -61.99 -22.6 65.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.214 -0.928 . . . . 0.0 110.453 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 25' ' ' GLU . 5.6 mttm -85.33 -58.0 2.85 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.275 -0.891 . . . . 0.0 110.134 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -55.74 -34.25 65.01 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.3 -0.875 . . . . 0.0 110.082 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.441 ' HG3' ' HB3' ' A' ' 23' ' ' LEU . 2.3 mtpm? -54.26 -58.31 7.88 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.295 -0.878 . . . . 0.0 110.194 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.643 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.6 tm-20 -58.39 -37.26 74.93 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.199 -0.938 . . . . 0.0 110.172 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.586 HD13 ' CD1' ' A' ' 80' ' ' PHE . 4.3 tp -60.21 -46.54 89.38 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.299 -0.876 . . . . 0.0 110.211 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 35' ' ' ARG . 1.7 m -72.7 -42.71 63.9 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.259 -0.901 . . . . 0.0 110.065 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.441 ' NE2' ' HB3' ' A' ' 10' ' ' PRO . 17.2 mt-30 -57.35 -55.69 31.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.25 -0.906 . . . . 0.0 109.955 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 29' ' ' GLU . 64.8 t -54.29 -40.49 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.319 -0.863 . . . . 0.0 109.902 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.729 HG22 ' HD2' ' A' ' 76' ' ' LYS . 50.4 t -88.48 4.13 5.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 O-C-N 121.359 -0.838 . . . . 0.0 110.533 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.591 ' HA ' HD22 ' A' ' 12' ' ' LEU . 53.3 mtt180 53.31 50.15 18.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.983 -1.073 . . . . 0.0 110.16 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.536 ' CD1' HG11 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -99.21 178.34 4.94 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.335 -0.853 . . . . 0.0 110.778 -179.187 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.743 HG13 ' HD2' ' A' ' 38' ' ' PRO . 12.7 t -110.94 154.59 43.32 Favored Pre-proline 0 N--CA 1.49 1.531 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.892 ' O ' HD12 ' A' ' 42' ' ' LEU . 8.2 Cg_exo -63.84 -70.43 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.381 0 O-C-N 123.396 1.209 . . . . 0.0 110.633 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.71 -42.52 52.53 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.555 ' H ' HG12 ' A' ' 37' ' ' VAL . . . -54.87 -63.29 1.2 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.256 -1.144 . . . . 0.0 109.914 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.757 ' CE1' HG23 ' A' ' 77' ' ' ILE . 69.7 t80 -57.82 -48.17 80.52 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.313 -0.867 . . . . 0.0 110.223 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.892 HD12 ' O ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -51.77 -31.69 27.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.22 -0.925 . . . . 0.0 110.127 179.412 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -73.14 -61.48 1.8 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.41 -0.806 . . . . 0.0 110.095 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.503 ' O ' HD13 ' A' ' 48' ' ' LEU . 24.1 m-85 -52.93 -42.04 65.03 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.249 -0.907 . . . . 0.0 110.23 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.844 ' HG2' HD21 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -58.54 -42.09 87.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.271 -0.893 . . . . 0.0 110.128 179.413 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -51.38 31.86 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.272 -0.893 . . . . 0.0 110.33 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.45 -49.51 76.03 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.364 -0.835 . . . . 0.0 110.418 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 44' ' ' TYR . 7.8 mp -55.73 -40.59 72.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.192 -0.942 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.28 -44.43 95.09 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.265 -0.897 . . . . 0.0 110.376 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -68.24 -51.56 43.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.243 -0.911 . . . . 0.0 110.341 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.604 ' OE1' HD21 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -60.21 -51.24 70.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.208 -0.932 . . . . 0.0 110.358 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 38.2 t -52.1 -43.3 63.87 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.193 -0.942 . . . . 0.0 110.297 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -68.93 -33.12 73.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.284 -0.885 . . . . 0.0 110.099 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -55.63 9.03 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.334 -0.854 . . . . 0.0 110.262 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -76.83 -32.45 57.57 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.308 -0.87 . . . . 0.0 110.245 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.84 104.62 0.01 OUTLIER Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 112.64 35.64 1.69 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.863 HD23 ' OH ' ' A' ' 78' ' ' TYR . 0.4 OUTLIER -87.63 136.84 32.78 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.154 -1.204 . . . . 0.0 110.131 179.559 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.428 ' CZ ' ' HE2' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -107.55 -169.83 1.6 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.163 -0.96 . . . . 0.0 110.644 -179.308 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.607 HD22 ' HD2' ' A' ' 78' ' ' TYR . 0.3 OUTLIER -64.0 -44.6 92.14 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.365 -0.835 . . . . 0.0 110.351 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.81 -49.67 28.3 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.345 -0.847 . . . . 0.0 110.775 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.435 ' CB ' ' HG ' ' A' ' 58' ' ' LEU . 1.7 mt-30 -59.12 -35.3 73.22 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.163 -0.961 . . . . 0.0 109.883 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.585 ' HB2' ' CD1' ' A' ' 78' ' ' TYR . . . -64.97 -57.02 9.83 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.37 -0.831 . . . . 0.0 110.115 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.745 ' HA ' HG21 ' A' ' 74' ' ' THR . 59.4 mtm180 -56.43 -19.41 14.97 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.32 -0.863 . . . . 0.0 110.282 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.27 -55.78 3.29 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.237 -0.914 . . . . 0.0 110.205 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.604 HD21 ' OE1' ' A' ' 51' ' ' GLU . 0.5 OUTLIER -53.54 -64.18 0.91 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.184 -0.947 . . . . 0.0 110.1 179.496 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.453 ' CD1' HD21 ' A' ' 48' ' ' LEU . 28.1 pt -101.94 59.1 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.424 -0.798 . . . . 0.0 109.475 178.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -67.61 59.99 0.06 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.511 -0.743 . . . . 0.0 111.569 -178.366 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.447 ' CD1' ' HB3' ' A' ' 73' ' ' LYS . 35.0 pt -69.22 -25.74 30.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 120.985 -1.072 . . . . 0.0 109.286 177.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.461 ' CB ' ' HE3' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -175.86 -152.79 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.515 -0.741 . . . . 0.0 109.887 179.043 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.2 t -101.19 -64.96 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 120.899 -1.126 . . . . 0.0 110.823 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -81.79 -20.14 39.78 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.215 -0.928 . . . . 0.0 109.78 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.461 ' HE3' ' CB ' ' A' ' 70' ' ' ASP . 0.3 OUTLIER -60.16 -49.58 77.05 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.578 -0.701 . . . . 0.0 110.5 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.745 HG21 ' HA ' ' A' ' 64' ' ' ARG . 54.0 m -72.47 -30.22 64.35 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.184 -0.947 . . . . 0.0 110.069 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -33.24 75.15 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.292 -0.88 . . . . 0.0 110.334 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.729 ' HD2' HG22 ' A' ' 34' ' ' VAL . 94.0 mttt -75.64 -45.38 37.61 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.194 -0.941 . . . . 0.0 109.662 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.757 HG23 ' CE1' ' A' ' 41' ' ' TYR . 56.2 mt -62.24 -45.86 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.337 -0.852 . . . . 0.0 109.768 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.863 ' OH ' HD23 ' A' ' 58' ' ' LEU . 1.5 t80 -69.34 -50.75 43.51 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.286 -0.884 . . . . 0.0 110.234 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -51.53 -24.67 5.5 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.152 -0.968 . . . . 0.0 109.964 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.586 ' CD1' HD13 ' A' ' 30' ' ' LEU . 42.2 t80 -74.8 -56.69 4.51 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.334 -0.854 . . . . 0.0 109.711 178.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.844 HD21 ' HG2' ' A' ' 45' ' ' LYS . 1.9 mt -61.46 -33.67 74.15 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.161 -0.962 . . . . 0.0 110.099 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.663 HD13 HG13 ' A' ' 87' ' ' ILE . 22.5 mm -67.6 -62.11 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.29 -0.881 . . . . 0.0 110.506 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.525 ' HD2' HG22 ' A' ' 82' ' ' ILE . 1.0 OUTLIER -63.31 -35.41 80.27 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.466 -0.771 . . . . 0.0 110.916 -178.875 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 6.9 mm-40 -65.39 -53.44 43.18 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.084 -1.01 . . . . 0.0 110.546 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 136.27 -7.01 4.01 Favored Glycine 0 N--CA 1.491 2.318 0 C-N-CA 119.888 -1.149 . . . . 0.0 110.287 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -60.45 -39.9 89.22 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.797 -1.414 . . . . 0.0 109.959 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.663 HG13 HD13 ' A' ' 82' ' ' ILE . 48.1 pt -130.78 178.74 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.416 -0.803 . . . . 0.0 109.717 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.4 p -121.02 166.81 13.34 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.025 -1.047 . . . . 0.0 110.83 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.428 ' HE2' ' CZ ' ' A' ' 59' ' ' ARG . 7.7 tttt -114.32 62.0 0.67 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.441 -0.787 . . . . 0.0 110.317 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.371 -179.803 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -148.73 -171.97 3.99 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.253 -1.145 . . . . 0.0 110.36 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -66.67 151.05 48.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.289 -0.882 . . . . 0.0 110.35 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.1 m -116.82 -14.82 10.72 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.228 -0.92 . . . . 0.0 110.686 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 73.35 25.13 73.7 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.337 -1.505 . . . . 0.0 109.337 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -113.23 -44.93 3.19 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.262 -1.14 . . . . 0.0 110.318 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 52.77 -154.6 0.21 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.217 -0.927 . . . . 0.0 110.42 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.429 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 30.9 t -89.14 12.45 15.72 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.208 -0.932 . . . . 0.0 110.935 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.689 ' HB1' ' CG2' ' A' ' 15' ' ' THR . . . 58.0 118.83 0.01 OUTLIER Pre-proline 0 N--CA 1.497 1.918 0 O-C-N 121.538 -0.726 . . . . 0.0 111.319 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.441 ' HB3' ' NE2' ' A' ' 32' ' ' GLN . 7.5 Cg_exo -69.64 167.41 24.35 Favored 'Trans proline' 0 C--N 1.315 -1.236 0 O-C-N 123.242 1.127 . . . . 0.0 110.46 179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -64.53 177.83 1.99 Allowed 'Trans proline' 0 C--N 1.313 -1.333 0 O-C-N 123.665 1.35 . . . . 0.0 111.038 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.591 HD22 ' HA ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER 52.52 -167.73 0.05 Allowed 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.327 0.584 . . . . 0.0 110.884 179.616 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.613 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.1 m-20 -87.27 97.72 10.93 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.293 -0.879 . . . . 0.0 110.936 -178.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -178.08 42.3 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.342 -0.849 . . . . 0.0 110.02 179.035 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.689 ' CG2' ' HB1' ' A' ' 9' ' ' ALA . 71.9 p -102.6 -35.85 8.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.404 -0.81 . . . . 0.0 110.135 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.81 22.51 3.46 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.498 ' HB3' ' HG2' ' A' ' 38' ' ' PRO . 20.3 mt -69.31 166.41 29.98 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.169 -1.194 . . . . 0.0 110.262 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.415 ' O ' ' HB2' ' A' ' 38' ' ' PRO . 60.5 Cg_endo -74.47 98.81 1.15 Allowed 'Trans proline' 0 C--N 1.312 -1.352 0 O-C-N 123.747 1.393 . . . . 0.0 111.47 -178.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.465 ' HA3' ' HB2' ' A' ' 38' ' ' PRO . . . 131.98 -35.74 2.33 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.289 -1.525 . . . . 0.0 109.289 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.594 ' HA ' HD12 ' A' ' 23' ' ' LEU . 4.4 m -52.08 -30.02 24.1 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.113 -1.228 . . . . 0.0 109.417 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -57.68 -20.16 31.89 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.627 -0.671 . . . . 0.0 109.475 177.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -111.95 -22.67 10.95 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.186 -0.946 . . . . 0.0 110.299 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 20' ' ' THR . 29.2 mt -52.41 124.08 12.52 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.22 -0.925 . . . . 0.0 110.39 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -70.96 169.27 15.22 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.317 -0.864 . . . . 0.0 110.554 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 26' ' ' LYS . 3.6 pt-20 -61.99 -22.6 65.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.214 -0.928 . . . . 0.0 110.453 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 25' ' ' GLU . 5.6 mttm -85.33 -58.0 2.85 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.275 -0.891 . . . . 0.0 110.134 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -55.74 -34.25 65.01 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.3 -0.875 . . . . 0.0 110.082 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.441 ' HG3' ' HB3' ' A' ' 23' ' ' LEU . 2.3 mtpm? -54.26 -58.31 7.88 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.295 -0.878 . . . . 0.0 110.194 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.643 ' O ' HG23 ' A' ' 33' ' ' VAL . 4.6 tm-20 -58.39 -37.26 74.93 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.199 -0.938 . . . . 0.0 110.172 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.586 HD13 ' CD1' ' A' ' 80' ' ' PHE . 4.3 tp -60.21 -46.54 89.38 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.299 -0.876 . . . . 0.0 110.211 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 35' ' ' ARG . 1.7 m -72.7 -42.71 63.9 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.259 -0.901 . . . . 0.0 110.065 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.441 ' NE2' ' HB3' ' A' ' 10' ' ' PRO . 17.2 mt-30 -57.35 -55.69 31.45 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.25 -0.906 . . . . 0.0 109.955 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 29' ' ' GLU . 64.8 t -54.29 -40.49 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.319 -0.863 . . . . 0.0 109.902 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.729 HG22 ' HD2' ' A' ' 76' ' ' LYS . 50.4 t -88.48 4.13 5.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 O-C-N 121.359 -0.838 . . . . 0.0 110.533 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.591 ' HA ' HD22 ' A' ' 12' ' ' LEU . 53.3 mtt180 53.31 50.15 18.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.983 -1.073 . . . . 0.0 110.16 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.536 ' CD1' HG11 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -99.21 178.34 4.94 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.335 -0.853 . . . . 0.0 110.778 -179.187 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.743 HG13 ' HD2' ' A' ' 38' ' ' PRO . 12.7 t -110.94 154.59 43.32 Favored Pre-proline 0 N--CA 1.49 1.531 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.892 ' O ' HD12 ' A' ' 42' ' ' LEU . 8.2 Cg_exo -63.84 -70.43 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.381 0 O-C-N 123.396 1.209 . . . . 0.0 110.633 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.71 -42.52 52.53 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.555 ' H ' HG12 ' A' ' 37' ' ' VAL . . . -54.87 -63.29 1.2 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.256 -1.144 . . . . 0.0 109.914 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.757 ' CE1' HG23 ' A' ' 77' ' ' ILE . 69.7 t80 -57.82 -48.17 80.52 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.313 -0.867 . . . . 0.0 110.223 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.892 HD12 ' O ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -51.77 -31.69 27.9 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.22 -0.925 . . . . 0.0 110.127 179.412 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -73.14 -61.48 1.8 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.41 -0.806 . . . . 0.0 110.095 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.503 ' O ' HD13 ' A' ' 48' ' ' LEU . 24.1 m-85 -52.93 -42.04 65.03 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.249 -0.907 . . . . 0.0 110.23 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.844 ' HG2' HD21 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -58.54 -42.09 87.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.271 -0.893 . . . . 0.0 110.128 179.413 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -51.38 31.86 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.272 -0.893 . . . . 0.0 110.33 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.45 -49.51 76.03 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.364 -0.835 . . . . 0.0 110.418 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 44' ' ' TYR . 7.8 mp -55.73 -40.59 72.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.192 -0.942 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.28 -44.43 95.09 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.265 -0.897 . . . . 0.0 110.376 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -68.24 -51.56 43.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.243 -0.911 . . . . 0.0 110.341 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.604 ' OE1' HD21 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -60.21 -51.24 70.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.208 -0.932 . . . . 0.0 110.358 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 38.2 t -52.1 -43.3 63.87 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.193 -0.942 . . . . 0.0 110.297 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -68.93 -33.12 73.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.284 -0.885 . . . . 0.0 110.099 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.05 -55.63 9.03 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.334 -0.854 . . . . 0.0 110.262 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -76.83 -32.45 57.57 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.308 -0.87 . . . . 0.0 110.245 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.84 104.62 0.01 OUTLIER Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 112.64 35.64 1.69 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.863 HD23 ' OH ' ' A' ' 78' ' ' TYR . 0.4 OUTLIER -87.63 136.84 32.78 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.154 -1.204 . . . . 0.0 110.131 179.559 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.428 ' CZ ' ' HE2' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -107.55 -169.83 1.6 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.163 -0.96 . . . . 0.0 110.644 -179.308 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.607 HD22 ' HD2' ' A' ' 78' ' ' TYR . 0.3 OUTLIER -64.0 -44.6 92.14 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.365 -0.835 . . . . 0.0 110.351 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -47.81 -49.67 28.3 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.345 -0.847 . . . . 0.0 110.775 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.435 ' CB ' ' HG ' ' A' ' 58' ' ' LEU . 1.7 mt-30 -59.12 -35.3 73.22 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.163 -0.961 . . . . 0.0 109.883 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.585 ' HB2' ' CD1' ' A' ' 78' ' ' TYR . . . -64.97 -57.02 9.83 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.37 -0.831 . . . . 0.0 110.115 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.745 ' HA ' HG21 ' A' ' 74' ' ' THR . 59.4 mtm180 -56.43 -19.41 14.97 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.32 -0.863 . . . . 0.0 110.282 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.27 -55.78 3.29 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.237 -0.914 . . . . 0.0 110.205 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.604 HD21 ' OE1' ' A' ' 51' ' ' GLU . 0.5 OUTLIER -53.54 -64.18 0.91 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.184 -0.947 . . . . 0.0 110.1 179.496 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.453 ' CD1' HD21 ' A' ' 48' ' ' LEU . 28.1 pt -101.94 59.1 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.424 -0.798 . . . . 0.0 109.475 178.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -67.61 59.99 0.06 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.511 -0.743 . . . . 0.0 111.569 -178.366 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.447 ' CD1' ' HB3' ' A' ' 73' ' ' LYS . 35.0 pt -69.22 -25.74 30.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 120.985 -1.072 . . . . 0.0 109.286 177.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.461 ' CB ' ' HE3' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -175.86 -152.79 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.515 -0.741 . . . . 0.0 109.887 179.043 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.2 t -101.19 -64.96 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 120.899 -1.126 . . . . 0.0 110.823 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -81.79 -20.14 39.78 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.215 -0.928 . . . . 0.0 109.78 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.461 ' HE3' ' CB ' ' A' ' 70' ' ' ASP . 0.3 OUTLIER -60.16 -49.58 77.05 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.578 -0.701 . . . . 0.0 110.5 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.745 HG21 ' HA ' ' A' ' 64' ' ' ARG . 54.0 m -72.47 -30.22 64.35 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.184 -0.947 . . . . 0.0 110.069 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -33.24 75.15 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.292 -0.88 . . . . 0.0 110.334 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.729 ' HD2' HG22 ' A' ' 34' ' ' VAL . 94.0 mttt -75.64 -45.38 37.61 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.194 -0.941 . . . . 0.0 109.662 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.757 HG23 ' CE1' ' A' ' 41' ' ' TYR . 56.2 mt -62.24 -45.86 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.337 -0.852 . . . . 0.0 109.768 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.863 ' OH ' HD23 ' A' ' 58' ' ' LEU . 1.5 t80 -69.34 -50.75 43.51 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.286 -0.884 . . . . 0.0 110.234 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -51.53 -24.67 5.5 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.152 -0.968 . . . . 0.0 109.964 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.586 ' CD1' HD13 ' A' ' 30' ' ' LEU . 42.2 t80 -74.8 -56.69 4.51 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.334 -0.854 . . . . 0.0 109.711 178.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.844 HD21 ' HG2' ' A' ' 45' ' ' LYS . 1.9 mt -61.46 -33.67 74.15 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.161 -0.962 . . . . 0.0 110.099 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.663 HD13 HG13 ' A' ' 87' ' ' ILE . 22.5 mm -67.6 -62.11 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.29 -0.881 . . . . 0.0 110.506 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.525 ' HD2' HG22 ' A' ' 82' ' ' ILE . 1.0 OUTLIER -63.31 -35.41 80.27 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.466 -0.771 . . . . 0.0 110.916 -178.875 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 6.9 mm-40 -65.39 -53.44 43.18 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.084 -1.01 . . . . 0.0 110.546 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 136.27 -7.01 4.01 Favored Glycine 0 N--CA 1.491 2.318 0 C-N-CA 119.888 -1.149 . . . . 0.0 110.287 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -60.45 -39.9 89.22 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.797 -1.414 . . . . 0.0 109.959 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.663 HG13 HD13 ' A' ' 82' ' ' ILE . 48.1 pt -130.78 178.74 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.416 -0.803 . . . . 0.0 109.717 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.4 p -121.02 166.81 13.34 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.025 -1.047 . . . . 0.0 110.83 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.428 ' HE2' ' CZ ' ' A' ' 59' ' ' ARG . 7.7 tttt -114.32 62.0 0.67 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.441 -0.787 . . . . 0.0 110.317 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 118.064 -0.97 . . . . 0.0 110.371 -179.803 . . . . . . . . 0 0 . 1 stop_ save_