data_1q59_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 1q59 _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' ' ' MET . . . . . . . . . . . . . 61.4 mtm . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.883 0.373 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.39 130.0 5.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.428 ' CE1' ' HG2' ' A' ' 7' ' ' GLU . 14.3 t80 -70.89 96.45 1.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.2 t -56.22 144.58 29.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.461 ' CG2' ' NE1' ' A' ' 150' ' ' TRP . 0.0 OUTLIER -70.34 -15.06 62.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.622 -179.775 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -64.32 -11.36 31.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.09 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.428 ' HG2' ' CE1' ' A' ' 3' ' ' TYR . 3.0 mp0 -80.4 -46.49 15.91 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.676 0.274 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.55 HD12 ' CD1' ' A' ' 150' ' ' TRP . 0.5 OUTLIER -49.69 -32.75 7.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.839 0.352 . . . . 0.0 110.799 179.295 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.2 mp -72.45 -28.87 63.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.641 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.7 tp -59.26 -50.44 73.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.458 ' O ' HG23 ' A' ' 14' ' ' ILE . . . -68.79 -57.83 5.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.615 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.513 HD21 ' CD2' ' A' ' 51' ' ' HIS . 34.3 mt -41.99 -31.17 0.32 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.125 0.488 . . . . 0.0 110.468 179.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.5 -57.71 3.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.349 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.458 HG23 ' O ' ' A' ' 11' ' ' ALA . 1.9 tt -50.52 -39.97 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.993 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.558 ' O ' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -68.1 -49.35 61.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.882 179.28 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.423 ' HA ' HG22 ' A' ' 19' ' ' VAL . 31.4 t70 -50.87 -22.5 2.23 Favored 'General case' 0 CA--C 1.527 0.086 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.78 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.5 t -82.56 -43.34 17.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.517 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.9 mtt-85 -67.68 -46.66 71.67 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.206 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 15' ' ' ARG . 1.4 m -40.94 -32.85 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.136 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.523 ' CD2' ' CG2' ' A' ' 19' ' ' VAL . 0.4 OUTLIER -108.21 -19.41 13.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.365 -178.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.46 ' N ' ' HB2' ' A' ' 26' ' ' HIS . . . -74.03 64.97 1.94 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.692 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -54.52 106.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 110.689 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.26 -43.92 2.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.357 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.8 m -138.99 145.2 39.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.68 0.276 . . . . 0.0 110.837 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.9 tp -45.48 121.98 3.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.497 ' CE1' ' CG2' ' A' ' 28' ' ' VAL . 6.7 t-80 -68.5 130.32 92.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.104 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.484 ' HD2' ' ND1' ' A' ' 26' ' ' HIS . 37.1 Cg_endo -64.53 11.59 0.11 Allowed 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 122.598 2.199 . . . . 0.0 113.716 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.531 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 54.6 t -92.58 35.66 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.099 0 CA-C-O 120.608 0.242 . . . . 0.0 110.98 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 28' ' ' VAL . 5.8 mt 158.3 46.06 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.491 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -97.06 -45.25 6.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.23 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -140.48 72.41 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.857 0.361 . . . . 0.0 110.979 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.41 -63.66 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.036 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -177.13 90.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.6 ptt-85 171.71 106.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.988 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -107.04 143.54 35.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.782 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.2 m 65.49 59.91 1.2 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.922 0.392 . . . . 0.0 111.032 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.65 146.36 88.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.93 2.42 . . . . 0.0 112.753 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -72.64 143.64 48.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.051 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -56.82 105.74 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.753 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 tt -156.32 153.41 28.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.9 m -99.09 95.13 3.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -66.99 63.04 0.61 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.683 2.255 . . . . 0.0 112.425 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -151.94 26.21 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.717 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -56.17 -175.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.099 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.2 m -81.48 -54.04 5.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.636 0.255 . . . . 0.0 111.372 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.472 ' O ' ' CD1' ' A' ' 154' ' ' ILE . 27.5 m -51.58 -47.26 37.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.082 0.468 . . . . 0.0 110.385 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.4 m -55.1 -59.76 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.544 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.446 ' HA ' ' ND1' ' A' ' 51' ' ' HIS . 7.7 tt -56.22 -51.45 68.03 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.332 0.587 . . . . 0.0 110.252 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.54 ' O ' HD11 ' A' ' 53' ' ' LEU . 16.9 mmt85 -44.67 -48.62 10.61 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.89 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.633 ' OH ' ' HB3' ' A' ' 150' ' ' TRP . 2.5 m-85 -55.64 -48.46 74.92 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.513 ' CD2' HD21 ' A' ' 12' ' ' LEU . 32.9 m170 -40.65 -45.14 2.3 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 53' ' ' LEU . 10.8 t -74.49 -70.65 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.205 179.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.54 HD11 ' O ' ' A' ' 49' ' ' ARG . 1.4 mp -30.62 -42.67 0.04 OUTLIER 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.191 0.52 . . . . 0.0 111.8 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.435 ' N ' ' CD1' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -73.0 -53.3 11.53 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.469 -179.168 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 2.5 mm-40 -51.88 -58.38 6.63 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.343 0.592 . . . . 0.0 109.822 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -43.5 -50.47 7.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.6 mt -47.72 -53.66 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.069 0.462 . . . . 0.0 110.727 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 27.3 mt -46.38 -41.94 4.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.405 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -48.85 -30.26 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.723 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.0 mmt-85 -96.27 -49.07 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -110.77 55.48 0.65 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.2 t -74.86 -55.21 6.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.873 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -67.13 -41.09 86.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.702 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.5 m -47.84 -55.46 9.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' A' ' 107' ' ' TRP . 11.8 m-30 -51.58 -67.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.084 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 49.6 m -53.32 -43.1 67.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.33 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -47.06 -58.55 3.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.939 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 28.4 p -53.35 -41.16 65.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.895 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.541 ' CZ3' ' CZ2' ' A' ' 107' ' ' TRP . 47.6 t-105 -57.23 -40.97 78.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.234 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -33.63 70.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.302 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.7 ttt85 -59.58 -65.65 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.265 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.517 ' CG ' HG22 ' A' ' 86' ' ' VAL . 2.4 p90 -59.94 -24.43 64.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.546 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.542 ' O ' ' CB ' ' A' ' 74' ' ' THR . 1.6 tp -37.34 153.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.524 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.542 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 4.9 m 95.03 56.96 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.944 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.411 ' CG ' ' OD2' ' A' ' 82' ' ' ASP . 1.8 p80 -108.48 -175.81 2.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.774 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 85.5 m -61.95 -21.93 65.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.461 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 78' ' ' HIS . 3.4 mm-40 73.32 16.0 4.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.182 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.429 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 75.5 m-70 -161.85 35.33 0.13 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.8 0.333 . . . . 0.0 111.083 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.411 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 6.4 t -152.03 135.18 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.935 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.504 ' HA ' ' CD1' ' A' ' 83' ' ' PHE . 57.8 m-20 -78.67 1.66 22.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.83 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.474 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -55.59 -29.81 59.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.82 0.343 . . . . 0.0 111.523 -179.18 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.425 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 15.3 p-10 -101.36 -25.03 14.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.175 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.504 ' CD1' ' HA ' ' A' ' 80' ' ' ASP . 19.6 m-85 -65.31 -32.31 73.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.82 -179.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -75.63 -47.44 26.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.658 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 51.9 m -60.08 -38.48 83.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.03 0.443 . . . . 0.0 110.235 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.517 HG22 ' CG ' ' A' ' 72' ' ' PHE . 94.7 t -67.72 -37.28 78.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.727 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.474 ' HA ' ' CZ3' ' A' ' 104' ' ' TRP . 3.7 t80 -53.67 -40.86 66.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.081 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.453 ' N ' HD21 ' A' ' 88' ' ' LEU . 3.6 mt -91.67 -28.81 17.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.523 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -82.79 -23.7 33.75 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 104' ' ' TRP . 0.7 OUTLIER -47.39 -26.3 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.485 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.599 ' O ' ' CG ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -128.52 11.98 6.35 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.681 0.277 . . . . 0.0 111.653 -179.522 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -38.63 -40.18 0.56 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.75 0.309 . . . . 0.0 111.588 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -48.3 -36.76 14.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.172 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.28 -109.63 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.634 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.457 ' HB3' ' HD3' ' A' ' 96' ' ' PRO . 0.2 OUTLIER 171.25 -53.67 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.622 0.249 . . . . 0.0 111.153 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.457 ' HD3' ' HB3' ' A' ' 95' ' ' ASP . 77.3 Cg_exo -47.31 172.95 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.498 2.132 . . . . 0.0 112.106 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 72.5 p -89.71 -64.39 1.15 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.198 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.681 ' CD2' HD11 ' A' ' 153' ' ' LEU . 4.1 tt -62.04 -20.79 64.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.121 0.486 . . . . 0.0 110.327 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -50.3 -22.72 5.34 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.539 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.447 ' CG ' ' CE1' ' A' ' 91' ' ' PHE . 45.0 mtt180 -71.84 -33.01 68.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.111 0.482 . . . . 0.0 109.995 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.456 ' HB1' ' CZ3' ' A' ' 143' ' ' TRP . . . -79.45 -33.08 42.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.166 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.498 HD21 HD12 ' A' ' 153' ' ' LEU . 4.2 mt -71.05 -38.6 72.53 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.92 -46.42 71.6 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.484 ' HA ' HD12 ' A' ' 90' ' ' ILE . 73.5 t-105 -44.45 -57.57 3.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.792 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 49.4 mtm -69.49 -22.34 63.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.657 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.34 -70.22 0.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.369 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.587 ' HB3' ' CD2' ' A' ' 65' ' ' PHE . 18.2 p-90 -53.07 -42.79 66.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.095 0.474 . . . . 0.0 110.019 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.481 ' N ' ' CG ' ' A' ' 107' ' ' TRP . 53.0 t -55.03 -28.39 51.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.783 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 15.9 ttm -69.61 -57.26 5.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.524 ' CD2' ' HA ' ' A' ' 107' ' ' TRP . 5.3 p80 -69.91 -33.09 71.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 0.0 110.422 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.404 ' N ' ' ND1' ' A' ' 110' ' ' HIS . . . -58.84 -41.83 87.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.762 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 97.0 m -69.36 -36.02 76.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.996 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -66.34 -43.48 85.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.946 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 63.7 m -71.04 -41.57 70.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.282 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.7 mt -62.75 -34.54 77.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.126 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 21.3 p -85.83 -41.03 15.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.155 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 21.1 m -56.8 -54.05 50.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -67.34 139.91 57.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -69.85 65.59 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 79.6 p -163.01 150.03 12.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.822 ' O ' ' O ' ' A' ' 122' ' ' PRO . 0.1 OUTLIER 47.38 39.72 0.61 Allowed Pre-proline 0 CA--C 1.532 0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.108 179.777 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.822 ' O ' ' O ' ' A' ' 121' ' ' THR . 31.3 Cg_exo -28.56 -171.2 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 124.369 3.379 . . . . 0.0 114.747 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . 0.479 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 1.0 OUTLIER -43.11 -23.5 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.271 -179.501 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.5 ' CE2' ' CG2' ' A' ' 125' ' ' VAL . 14.1 p90 -69.71 -38.67 77.0 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -178.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.579 ' HB ' ' O ' ' A' ' 121' ' ' THR . 7.5 t -82.5 -39.21 15.84 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.152 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.086 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 14.6 t -60.14 -44.81 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.04 0.447 . . . . 0.0 110.36 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -66.35 -42.84 87.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.874 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 20.4 mt -50.49 -53.77 27.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.831 0.348 . . . . 0.0 110.662 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 48.0 m -56.09 -45.81 79.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.743 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.402 ' CG2' HG13 ' A' ' 28' ' ' VAL . 51.0 t -58.11 -42.58 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.1 mtp85 -53.82 -50.11 66.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.48 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -75.84 -44.3 20.12 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.899 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' MET . . . . . 0.446 ' HG2' ' CZ2' ' A' ' 104' ' ' TRP . 46.3 mtt -57.77 -52.54 65.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.89 0.376 . . . . 0.0 110.549 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -51.94 -42.04 62.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.505 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -55.07 -44.19 74.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.534 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.32 -28.36 63.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.071 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.419 ' O ' HD12 ' A' ' 140' ' ' LEU . 39.5 m -54.97 -38.75 68.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -55.95 -22.89 28.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.459 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -65.43 -27.68 72.77 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.534 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.542 ' O ' ' N ' ' A' ' 144' ' ' ILE . 11.0 mp -51.11 -33.45 26.42 Favored 'General case' 0 C--O 1.221 -0.441 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 140' ' ' LEU . 56.4 t0 -41.1 -74.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.794 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -75.6 -36.56 42.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.448 -0.882 . . . . 0.0 111.389 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' TRP . . . . . 0.543 ' O ' ' HG2' ' A' ' 147' ' ' GLN . 9.7 t90 -56.43 -33.49 65.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.343 -0.429 . . . . 0.0 110.531 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.63 HD12 ' CZ3' ' A' ' 150' ' ' TRP . 21.9 mm -78.79 -42.44 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.577 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -46.73 -52.79 13.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.776 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -58.44 -21.29 50.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' ' 143' ' ' TRP . 4.3 mm-40 -82.48 -36.27 26.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.609 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 121.28 21.84 2.99 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.564 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 59.22 160.28 0.05 OUTLIER Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.228 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.633 ' HB3' ' OH ' ' A' ' 50' ' ' TYR . 8.9 m95 -57.68 -23.11 49.86 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.5 t -40.81 -26.37 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.738 -176.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 150' ' ' TRP . 4.9 m -87.88 -49.47 7.07 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . 0.681 HD11 ' CD2' ' A' ' 98' ' ' LEU . 0.6 OUTLIER -72.89 -56.31 5.37 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.381 0.61 . . . . 0.0 111.611 -179.067 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . 0.488 ' CD1' ' CD2' ' A' ' 50' ' ' TYR . 0.6 OUTLIER -65.33 40.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.693 -178.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.507 ' H ' ' C ' ' A' ' 153' ' ' LEU . 32.7 mt-10 -161.75 -80.27 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.883 0.373 . . . . 0.0 110.194 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -71.62 -13.46 61.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.006 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . 0.4 ' O ' ' HB ' ' A' ' 158' ' ' ILE . 5.8 m120 66.37 51.08 1.23 Allowed 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.44 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ILE . . . . . 0.534 ' N ' ' CD1' ' A' ' 158' ' ' ILE . 1.3 mp 65.08 128.96 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.057 178.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.92 141.76 21.61 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.712 2.275 . . . . 0.0 112.135 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -154.61 126.37 1.88 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.611 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 2.2 p30 176.84 47.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -166.81 140.89 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.032 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -175.95 -47.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 53.02 -163.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.774 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 36.0 tp -147.37 57.46 1.13 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.817 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' A' ' 167' ' ' HIS . 56.0 mt-10 -141.37 129.12 21.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' HIS . . . . . 0.429 ' CD2' ' O ' ' A' ' 166' ' ' GLU . 1.6 m170 -179.49 -56.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.73 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -103.03 -164.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.742 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -154.68 37.57 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -91.4 -41.75 10.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -116.63 132.43 56.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.772 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' HIS . . . . . . . . . . . . . 23.6 m80 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.946 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.4 mtm . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.883 0.373 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.39 130.0 5.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.437 ' CE1' ' HG2' ' A' ' 7' ' ' GLU . 14.3 t80 -70.89 96.45 1.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.2 t -56.22 144.58 29.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 1.0 HG22 ' NE1' ' A' ' 150' ' ' TRP . 0.0 OUTLIER -70.34 -15.06 62.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.622 -179.775 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -64.32 -11.36 31.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.09 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.437 ' HG2' ' CE1' ' A' ' 3' ' ' TYR . 3.0 mp0 -80.4 -46.49 15.91 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.676 0.274 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.928 HD12 ' CD1' ' A' ' 150' ' ' TRP . 0.5 OUTLIER -49.69 -32.75 7.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.839 0.352 . . . . 0.0 110.799 179.295 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.591 HD21 HD22 ' A' ' 140' ' ' LEU . 8.2 mp -72.45 -28.87 63.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.641 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.7 tp -59.26 -50.44 73.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.506 ' HB3' ' CG1' ' A' ' 47' ' ' VAL . . . -68.79 -57.83 5.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.615 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.759 HD23 ' CD2' ' A' ' 51' ' ' HIS . 34.3 mt -41.99 -31.17 0.32 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.125 0.488 . . . . 0.0 110.468 179.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.874 ' SG ' HD22 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -72.5 -57.71 3.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.349 179.683 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.479 HG22 ' O ' ' A' ' 11' ' ' ALA . 1.9 tt -50.52 -39.97 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.993 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.792 ' CD ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -68.1 -49.35 61.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.882 179.28 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.52 ' OD2' HD12 ' A' ' 29' ' ' LEU . 31.4 t70 -50.87 -22.5 2.23 Favored 'General case' 0 CA--C 1.527 0.086 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.78 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.521 ' HB3' HD11 ' A' ' 25' ' ' LEU . 47.5 t -82.56 -43.34 17.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.517 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.9 mtt-85 -67.68 -46.66 71.67 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.206 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.792 HG13 ' CD ' ' A' ' 15' ' ' ARG . 1.4 m -40.94 -32.85 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.136 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.67 ' CE1' HG23 ' A' ' 19' ' ' VAL . 1.0 OUTLIER -108.21 -19.41 13.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.365 -178.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.474 ' N ' ' HB2' ' A' ' 26' ' ' HIS . . . -74.03 64.97 1.94 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.692 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.466 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 0.6 OUTLIER -54.52 106.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 110.689 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.26 -43.92 2.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.357 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.8 m -138.99 145.2 39.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.68 0.276 . . . . 0.0 110.837 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 17' ' ' SER . 28.9 tp -45.48 121.98 3.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.816 ' ND1' HG23 ' A' ' 28' ' ' VAL . 6.7 t-80 -68.5 130.32 92.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.104 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.478 ' HB2' ' CE1' ' A' ' 123' ' ' TYR . 37.1 Cg_endo -64.53 11.59 0.11 Allowed 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 122.598 2.199 . . . . 0.0 113.716 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.816 HG23 ' ND1' ' A' ' 26' ' ' HIS . 54.6 t -92.58 35.66 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.099 0 CA-C-O 120.608 0.242 . . . . 0.0 110.98 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.874 HD22 ' SG ' ' A' ' 13' ' ' CYS . 5.8 mt 158.3 46.06 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.491 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.81 ' C ' HD22 ' A' ' 31' ' ' LEU . 9.7 pt-20 -97.06 -45.25 6.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.23 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.81 HD22 ' C ' ' A' ' 30' ' ' GLU . 3.3 mm? -140.48 72.41 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.857 0.361 . . . . 0.0 110.979 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.514 ' HB1' ' HG ' ' A' ' 134' ' ' LEU . . . -63.41 -63.66 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.036 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -177.13 90.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.442 HH12 ' HB3' ' A' ' 32' ' ' ALA . 14.6 ptt-85 171.71 106.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.988 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -107.04 143.54 35.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.782 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 36' ' ' THR . 53.2 m 65.49 59.91 1.2 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.922 0.392 . . . . 0.0 111.032 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.65 146.36 88.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.93 2.42 . . . . 0.0 112.753 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.77 HD13 ' N ' ' A' ' 39' ' ' ARG . 3.3 tm? -72.64 143.64 48.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.051 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.77 ' N ' HD13 ' A' ' 38' ' ' LEU . 16.9 tpp180 -56.82 105.74 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.753 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.433 HD23 ' C ' ' A' ' 40' ' ' LEU . 6.7 tt -156.32 153.41 28.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.859 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.409 ' N ' HD23 ' A' ' 40' ' ' LEU . 48.9 m -99.09 95.13 3.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 40' ' ' LEU . 43.1 Cg_endo -66.99 63.04 0.61 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.683 2.255 . . . . 0.0 112.425 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -151.94 26.21 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.717 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.632 ' HB3' HG22 ' A' ' 47' ' ' VAL . 14.4 t70 -56.17 -175.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.099 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.2 m -81.48 -54.04 5.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.636 0.255 . . . . 0.0 111.372 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.83 ' O ' HD11 ' A' ' 154' ' ' ILE . 27.5 m -51.58 -47.26 37.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.082 0.468 . . . . 0.0 110.385 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.632 HG22 ' HB3' ' A' ' 44' ' ' ASP . 2.4 m -55.1 -59.76 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.544 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.625 ' H ' HG23 ' A' ' 47' ' ' VAL . 7.7 tt -56.22 -51.45 68.03 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.332 0.587 . . . . 0.0 110.252 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.634 ' O ' HD13 ' A' ' 53' ' ' LEU . 16.9 mmt85 -44.67 -48.62 10.61 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.89 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.698 ' CD2' HD13 ' A' ' 154' ' ' ILE . 2.5 m-85 -55.64 -48.46 74.92 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.759 ' CD2' HD23 ' A' ' 12' ' ' LEU . 32.9 m170 -40.65 -45.14 2.3 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 53' ' ' LEU . 10.8 t -74.49 -70.65 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.205 179.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.634 HD13 ' O ' ' A' ' 49' ' ' ARG . 1.4 mp -30.62 -42.67 0.04 OUTLIER 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.191 0.52 . . . . 0.0 111.8 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -73.0 -53.3 11.53 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.469 -179.168 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.63 ' HA ' HD12 ' A' ' 58' ' ' ILE . 2.5 mm-40 -51.88 -58.38 6.63 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.343 0.592 . . . . 0.0 109.822 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -43.5 -50.47 7.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.6 mt -47.72 -53.66 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.069 0.462 . . . . 0.0 110.727 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.63 HD12 ' HA ' ' A' ' 55' ' ' GLU . 27.3 mt -46.38 -41.94 4.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.405 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -48.85 -30.26 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.723 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.0 mmt-85 -96.27 -49.07 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -110.77 55.48 0.65 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.447 ' HA ' HG23 ' A' ' 58' ' ' ILE . 13.2 t -74.86 -55.21 6.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.873 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -67.13 -41.09 86.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.702 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.447 HG23 ' HD2' ' A' ' 93' ' ' ARG . 16.5 m -47.84 -55.46 9.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.612 ' CD2' ' HB3' ' A' ' 107' ' ' TRP . 11.8 m-30 -51.58 -67.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.084 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 49.6 m -53.32 -43.1 67.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.33 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -47.06 -58.55 3.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.939 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 28.4 p -53.35 -41.16 65.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.895 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.599 ' CZ3' HG11 ' A' ' 86' ' ' VAL . 47.6 t-105 -57.23 -40.97 78.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.234 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -33.63 70.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.302 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.7 ttt85 -59.58 -65.65 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.265 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.688 ' CE2' HG21 ' A' ' 86' ' ' VAL . 2.4 p90 -59.94 -24.43 64.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.546 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.542 ' O ' ' CB ' ' A' ' 74' ' ' THR . 1.6 tp -37.34 153.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.524 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.542 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 4.9 m 95.03 56.96 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.944 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.411 ' CG ' ' OD2' ' A' ' 82' ' ' ASP . 1.8 p80 -108.48 -175.81 2.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.774 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 85.5 m -61.95 -21.93 65.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.461 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 78' ' ' HIS . 3.4 mm-40 73.32 16.0 4.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.182 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.429 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 75.5 m-70 -161.85 35.33 0.13 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.8 0.333 . . . . 0.0 111.083 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.854 ' HB ' HD12 ' A' ' 81' ' ' LEU . 6.4 t -152.03 135.18 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.935 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.526 ' HA ' ' CD1' ' A' ' 83' ' ' PHE . 57.8 m-20 -78.67 1.66 22.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.83 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.854 HD12 ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -55.59 -29.81 59.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.82 0.343 . . . . 0.0 111.523 -179.18 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.855 ' O ' HG23 ' A' ' 86' ' ' VAL . 15.3 p-10 -101.36 -25.03 14.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.175 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 80' ' ' ASP . 19.6 m-85 -65.31 -32.31 73.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.82 -179.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -75.63 -47.44 26.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.658 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 51.9 m -60.08 -38.48 83.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.03 0.443 . . . . 0.0 110.235 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 82' ' ' ASP . 94.7 t -67.72 -37.28 78.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.727 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.479 ' CZ ' HD11 ' A' ' 140' ' ' LEU . 3.7 t80 -53.67 -40.86 66.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.081 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.543 HD23 ' N ' ' A' ' 88' ' ' LEU . 3.6 mt -91.67 -28.81 17.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.523 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.415 ' HA ' ' HB2' ' A' ' 92' ' ' HIS . 38.6 tt0 -82.79 -23.7 33.75 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.764 HG23 HG12 ' A' ' 86' ' ' VAL . 0.7 OUTLIER -47.39 -26.3 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.485 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.599 ' O ' ' CG ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -128.52 11.98 6.35 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.681 0.277 . . . . 0.0 111.653 -179.522 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 89' ' ' GLU . 80.9 t60 -38.63 -40.18 0.56 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.75 0.309 . . . . 0.0 111.588 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.447 ' HD2' HG23 ' A' ' 64' ' ' THR . 13.7 mtt180 -48.3 -36.76 14.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.172 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.28 -109.63 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.634 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.471 ' HB3' ' HD3' ' A' ' 96' ' ' PRO . 0.2 OUTLIER 171.25 -53.67 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.622 0.249 . . . . 0.0 111.153 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.471 ' HD3' ' HB3' ' A' ' 95' ' ' ASP . 77.3 Cg_exo -47.31 172.95 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.498 2.132 . . . . 0.0 112.106 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 72.5 p -89.71 -64.39 1.15 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.198 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.858 HD13 HD11 ' A' ' 153' ' ' LEU . 4.1 tt -62.04 -20.79 64.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.121 0.486 . . . . 0.0 110.327 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -50.3 -22.72 5.34 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.539 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.506 ' O ' HD11 ' A' ' 90' ' ' ILE . 45.0 mtt180 -71.84 -33.01 68.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.111 0.482 . . . . 0.0 109.995 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.612 ' HB3' HD23 ' A' ' 98' ' ' LEU . . . -79.45 -33.08 42.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.166 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.547 HD11 HD13 ' A' ' 153' ' ' LEU . 4.2 mt -71.05 -38.6 72.53 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.92 -46.42 71.6 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.513 ' HA ' HD13 ' A' ' 90' ' ' ILE . 73.5 t-105 -44.45 -57.57 3.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.792 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.539 ' SD ' HD13 ' A' ' 12' ' ' LEU . 49.4 mtm -69.49 -22.34 63.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.657 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.562 ' O ' HD11 ' A' ' 58' ' ' ILE . . . -77.34 -70.22 0.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.369 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.612 ' HB3' ' CD2' ' A' ' 65' ' ' PHE . 18.2 p-90 -53.07 -42.79 66.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.095 0.474 . . . . 0.0 110.019 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.481 ' N ' ' CG ' ' A' ' 107' ' ' TRP . 53.0 t -55.03 -28.39 51.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.783 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 15.9 ttm -69.61 -57.26 5.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.532 ' CD2' ' HA ' ' A' ' 107' ' ' TRP . 5.3 p80 -69.91 -33.09 71.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 0.0 110.422 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.404 ' N ' ' ND1' ' A' ' 110' ' ' HIS . . . -58.84 -41.83 87.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.762 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 97.0 m -69.36 -36.02 76.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.996 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -66.34 -43.48 85.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.946 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 63.7 m -71.04 -41.57 70.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.282 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 111' ' ' ALA . 17.7 mt -62.75 -34.54 77.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.126 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 21.3 p -85.83 -41.03 15.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.155 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 21.1 m -56.8 -54.05 50.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -67.34 139.91 57.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -69.85 65.59 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.52 ' C ' HG23 ' A' ' 121' ' ' THR . 79.6 p -163.01 150.03 12.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.822 ' O ' ' O ' ' A' ' 122' ' ' PRO . 0.1 OUTLIER 47.38 39.72 0.61 Allowed Pre-proline 0 CA--C 1.532 0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.108 179.777 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.822 ' O ' ' O ' ' A' ' 121' ' ' THR . 31.3 Cg_exo -28.56 -171.2 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 124.369 3.379 . . . . 0.0 114.747 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' TYR . . . . . 0.478 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 1.0 OUTLIER -43.11 -23.5 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.271 -179.501 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.933 ' CE2' HG23 ' A' ' 125' ' ' VAL . 14.1 p90 -69.71 -38.67 77.0 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -178.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.933 HG23 ' CE2' ' A' ' 124' ' ' TYR . 7.5 t -82.5 -39.21 15.84 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.152 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.086 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.646 HG12 HG11 ' A' ' 28' ' ' VAL . 14.6 t -60.14 -44.81 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.04 0.447 . . . . 0.0 110.36 179.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -66.35 -42.84 87.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.874 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 125' ' ' VAL . 20.4 mt -50.49 -53.77 27.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.831 0.348 . . . . 0.0 110.662 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.4 ' HB3' ' CE ' ' A' ' 133' ' ' MET . 48.0 m -56.09 -45.81 79.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.743 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.698 HG21 ' CG1' ' A' ' 28' ' ' VAL . 51.0 t -58.11 -42.58 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.1 mtp85 -53.82 -50.11 66.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.48 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -75.84 -44.3 20.12 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.899 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' MET . . . . . 0.452 ' HE2' ' CH2' ' A' ' 69' ' ' TRP . 46.3 mtt -57.77 -52.54 65.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.89 0.376 . . . . 0.0 110.549 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.649 HD13 ' O ' ' A' ' 134' ' ' LEU . 2.8 tm? -51.94 -42.04 62.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.505 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -55.07 -44.19 74.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.534 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.32 -28.36 63.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.071 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.432 ' HB3' HD23 ' A' ' 9' ' ' LEU . 39.5 m -54.97 -38.75 68.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -55.95 -22.89 28.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.459 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -65.43 -27.68 72.77 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.534 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.675 HD23 ' HH2' ' A' ' 150' ' ' TRP . 11.0 mp -51.11 -33.45 26.42 Favored 'General case' 0 C--O 1.221 -0.441 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 140' ' ' LEU . 56.4 t0 -41.1 -74.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.794 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -75.6 -36.56 42.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.448 -0.882 . . . . 0.0 111.389 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' TRP . . . . . 0.708 ' CZ3' HD13 ' A' ' 144' ' ' ILE . 9.7 t90 -56.43 -33.49 65.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.343 -0.429 . . . . 0.0 110.531 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.708 HD13 ' CZ3' ' A' ' 143' ' ' TRP . 21.9 mm -78.79 -42.44 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.577 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -46.73 -52.79 13.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.776 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -58.44 -21.29 50.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 143' ' ' TRP . 4.3 mm-40 -82.48 -36.27 26.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.609 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 121.28 21.84 2.99 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.564 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 59.22 160.28 0.05 OUTLIER Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.228 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 1.0 ' NE1' HG22 ' A' ' 5' ' ' THR . 8.9 m95 -57.68 -23.11 49.86 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.5 t -40.81 -26.37 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.738 -176.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 150' ' ' TRP . 4.9 m -87.88 -49.47 7.07 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' LEU . . . . . 0.858 HD11 HD13 ' A' ' 98' ' ' LEU . 0.6 OUTLIER -72.89 -56.31 5.37 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.381 0.61 . . . . 0.0 111.611 -179.067 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.83 HD11 ' O ' ' A' ' 46' ' ' VAL . 0.6 OUTLIER -65.33 40.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.693 -178.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.48 ' H ' ' C ' ' A' ' 153' ' ' LEU . 32.7 mt-10 -161.75 -80.27 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.883 0.373 . . . . 0.0 110.194 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -71.62 -13.46 61.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.006 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ASN . . . . . 0.404 ' O ' ' HB ' ' A' ' 158' ' ' ILE . 5.8 m120 66.37 51.08 1.23 Allowed 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.44 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ILE . . . . . 0.724 HG13 HD23 ' A' ' 153' ' ' LEU . 1.3 mp 65.08 128.96 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.057 178.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.92 141.76 21.61 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.712 2.275 . . . . 0.0 112.135 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -154.61 126.37 1.88 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.611 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 2.2 p30 176.84 47.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -166.81 140.89 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.032 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -175.95 -47.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 53.02 -163.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.774 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 36.0 tp -147.37 57.46 1.13 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.817 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 167' ' ' HIS . 56.0 mt-10 -141.37 129.12 21.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' HIS . . . . . 0.422 ' CG ' ' O ' ' A' ' 166' ' ' GLU . 0.3 OUTLIER -179.49 -56.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.73 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -103.03 -164.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.742 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -154.68 37.57 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -91.4 -41.75 10.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -116.63 132.43 56.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.772 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' HIS . . . . . . . . . . . . . 23.6 m80 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.946 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.4 mtm . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.883 0.373 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.39 130.0 5.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.437 ' CE1' ' HG2' ' A' ' 7' ' ' GLU . 14.3 t80 -70.89 96.45 1.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.2 t -56.22 144.58 29.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 1.0 HG22 ' NE1' ' A' ' 150' ' ' TRP . 0.0 OUTLIER -70.34 -15.06 62.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.622 -179.775 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -64.32 -11.36 31.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.09 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.437 ' HG2' ' CE1' ' A' ' 3' ' ' TYR . 3.0 mp0 -80.4 -46.49 15.91 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.676 0.274 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.928 HD12 ' CD1' ' A' ' 150' ' ' TRP . 0.5 OUTLIER -49.69 -32.75 7.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.839 0.352 . . . . 0.0 110.799 179.295 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.591 HD21 HD22 ' A' ' 140' ' ' LEU . 8.2 mp -72.45 -28.87 63.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.641 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.7 tp -59.26 -50.44 73.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.506 ' HB3' ' CG1' ' A' ' 47' ' ' VAL . . . -68.79 -57.83 5.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.615 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.759 HD23 ' CD2' ' A' ' 51' ' ' HIS . 34.3 mt -41.99 -31.17 0.32 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.125 0.488 . . . . 0.0 110.468 179.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.874 ' SG ' HD22 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -72.5 -57.71 3.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.349 179.683 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.479 HG22 ' O ' ' A' ' 11' ' ' ALA . 1.9 tt -50.52 -39.97 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.993 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.792 ' CD ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -68.1 -49.35 61.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.882 179.28 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.52 ' OD2' HD12 ' A' ' 29' ' ' LEU . 31.4 t70 -50.87 -22.5 2.23 Favored 'General case' 0 CA--C 1.527 0.086 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.78 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.521 ' HB3' HD11 ' A' ' 25' ' ' LEU . 47.5 t -82.56 -43.34 17.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.517 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.9 mtt-85 -67.68 -46.66 71.67 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.206 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.827 HG23 ' CD2' ' A' ' 20' ' ' HIS . 1.4 m -40.94 -32.85 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.136 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.827 ' CD2' HG23 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -108.21 -19.41 13.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.365 -178.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.474 ' N ' ' HB2' ' A' ' 26' ' ' HIS . . . -74.03 64.97 1.94 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.692 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -54.52 106.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 110.689 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.26 -43.92 2.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.357 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.8 m -138.99 145.2 39.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.68 0.276 . . . . 0.0 110.837 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 17' ' ' SER . 28.9 tp -45.48 121.98 3.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.88 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.816 ' ND1' HG23 ' A' ' 28' ' ' VAL . 6.7 t-80 -68.5 130.32 92.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.104 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.478 ' HB2' ' CE1' ' A' ' 123' ' ' TYR . 37.1 Cg_endo -64.53 11.59 0.11 Allowed 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 122.598 2.199 . . . . 0.0 113.716 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.816 HG23 ' ND1' ' A' ' 26' ' ' HIS . 54.6 t -92.58 35.66 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.099 0 CA-C-O 120.608 0.242 . . . . 0.0 110.98 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.874 HD22 ' SG ' ' A' ' 13' ' ' CYS . 5.8 mt 158.3 46.06 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.491 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.81 ' C ' HD22 ' A' ' 31' ' ' LEU . 9.7 pt-20 -97.06 -45.25 6.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.23 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.81 HD22 ' C ' ' A' ' 30' ' ' GLU . 3.3 mm? -140.48 72.41 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.857 0.361 . . . . 0.0 110.979 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.514 ' HB1' ' HG ' ' A' ' 134' ' ' LEU . . . -63.41 -63.66 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.036 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -177.13 90.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.442 HH12 ' HB3' ' A' ' 32' ' ' ALA . 14.6 ptt-85 171.71 106.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.988 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -107.04 143.54 35.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.782 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 36' ' ' THR . 53.2 m 65.49 59.91 1.2 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.922 0.392 . . . . 0.0 111.032 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.65 146.36 88.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.93 2.42 . . . . 0.0 112.753 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.77 HD13 ' N ' ' A' ' 39' ' ' ARG . 3.3 tm? -72.64 143.64 48.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.051 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.77 ' N ' HD13 ' A' ' 38' ' ' LEU . 16.9 tpp180 -56.82 105.74 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.753 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.433 HD23 ' C ' ' A' ' 40' ' ' LEU . 6.7 tt -156.32 153.41 28.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.859 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.409 ' N ' HD23 ' A' ' 40' ' ' LEU . 48.9 m -99.09 95.13 3.05 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 40' ' ' LEU . 43.1 Cg_endo -66.99 63.04 0.61 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.683 2.255 . . . . 0.0 112.425 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -151.94 26.21 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.717 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.632 ' HB3' HG22 ' A' ' 47' ' ' VAL . 14.4 t70 -56.17 -175.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.099 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.2 m -81.48 -54.04 5.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.636 0.255 . . . . 0.0 111.372 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.83 ' O ' HD11 ' A' ' 154' ' ' ILE . 27.5 m -51.58 -47.26 37.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.082 0.468 . . . . 0.0 110.385 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.632 HG22 ' HB3' ' A' ' 44' ' ' ASP . 2.4 m -55.1 -59.76 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.544 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.625 ' H ' HG23 ' A' ' 47' ' ' VAL . 7.7 tt -56.22 -51.45 68.03 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.332 0.587 . . . . 0.0 110.252 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.634 ' O ' HD13 ' A' ' 53' ' ' LEU . 16.9 mmt85 -44.67 -48.62 10.61 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.89 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.698 ' CD2' HD13 ' A' ' 154' ' ' ILE . 2.5 m-85 -55.64 -48.46 74.92 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.759 ' CD2' HD23 ' A' ' 12' ' ' LEU . 32.9 m170 -40.65 -45.14 2.3 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 53' ' ' LEU . 10.8 t -74.49 -70.65 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.205 179.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.634 HD13 ' O ' ' A' ' 49' ' ' ARG . 1.4 mp -30.62 -42.67 0.04 OUTLIER 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.191 0.52 . . . . 0.0 111.8 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -73.0 -53.3 11.53 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.469 -179.168 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.63 ' HA ' HD12 ' A' ' 58' ' ' ILE . 2.5 mm-40 -51.88 -58.38 6.63 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.343 0.592 . . . . 0.0 109.822 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -43.5 -50.47 7.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.6 mt -47.72 -53.66 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.069 0.462 . . . . 0.0 110.727 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.63 HD12 ' HA ' ' A' ' 55' ' ' GLU . 27.3 mt -46.38 -41.94 4.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.405 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -48.85 -30.26 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.723 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.0 mmt-85 -96.27 -49.07 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -110.77 55.48 0.65 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.447 ' HA ' HG23 ' A' ' 58' ' ' ILE . 13.2 t -74.86 -55.21 6.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.873 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -67.13 -41.09 86.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.702 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.447 HG23 ' HD2' ' A' ' 93' ' ' ARG . 16.5 m -47.84 -55.46 9.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.998 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.612 ' CD2' ' HB3' ' A' ' 107' ' ' TRP . 11.8 m-30 -51.58 -67.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.084 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 49.6 m -53.32 -43.1 67.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.33 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -47.06 -58.55 3.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.939 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 28.4 p -53.35 -41.16 65.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.895 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.599 ' CZ3' HG11 ' A' ' 86' ' ' VAL . 47.6 t-105 -57.23 -40.97 78.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.234 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -33.63 70.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.302 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.7 ttt85 -59.58 -65.65 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.265 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.688 ' CE2' HG21 ' A' ' 86' ' ' VAL . 2.4 p90 -59.94 -24.43 64.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.546 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.542 ' O ' ' CB ' ' A' ' 74' ' ' THR . 1.6 tp -37.34 153.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.524 -179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.542 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 4.9 m 95.03 56.96 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.944 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.411 ' CG ' ' OD2' ' A' ' 82' ' ' ASP . 1.8 p80 -108.48 -175.81 2.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.774 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 85.5 m -61.95 -21.93 65.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.461 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.429 ' O ' ' CG ' ' A' ' 78' ' ' HIS . 3.4 mm-40 73.32 16.0 4.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.182 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.429 ' CG ' ' O ' ' A' ' 77' ' ' GLU . 75.5 m-70 -161.85 35.33 0.13 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.8 0.333 . . . . 0.0 111.083 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.854 ' HB ' HD12 ' A' ' 81' ' ' LEU . 6.4 t -152.03 135.18 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.935 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.526 ' HA ' ' CD1' ' A' ' 83' ' ' PHE . 57.8 m-20 -78.67 1.66 22.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.83 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.854 HD12 ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -55.59 -29.81 59.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.82 0.343 . . . . 0.0 111.523 -179.18 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.855 ' O ' HG23 ' A' ' 86' ' ' VAL . 15.3 p-10 -101.36 -25.03 14.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.175 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 80' ' ' ASP . 19.6 m-85 -65.31 -32.31 73.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.82 -179.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -75.63 -47.44 26.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.658 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 51.9 m -60.08 -38.48 83.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.03 0.443 . . . . 0.0 110.235 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 82' ' ' ASP . 94.7 t -67.72 -37.28 78.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.727 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.479 ' CZ ' HD11 ' A' ' 140' ' ' LEU . 3.7 t80 -53.67 -40.86 66.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.081 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.543 ' N ' HD23 ' A' ' 88' ' ' LEU . 3.6 mt -91.67 -28.81 17.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.523 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.415 ' HA ' ' HB2' ' A' ' 92' ' ' HIS . 38.6 tt0 -82.79 -23.7 33.75 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.764 HG23 HG12 ' A' ' 86' ' ' VAL . 0.7 OUTLIER -47.39 -26.3 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.485 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.599 ' O ' ' CG ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -128.52 11.98 6.35 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 120.681 0.277 . . . . 0.0 111.653 -179.522 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 89' ' ' GLU . 80.9 t60 -38.63 -40.18 0.56 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.75 0.309 . . . . 0.0 111.588 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.447 ' HD2' HG23 ' A' ' 64' ' ' THR . 13.7 mtt180 -48.3 -36.76 14.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.172 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.28 -109.63 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.634 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.471 ' HB3' ' HD3' ' A' ' 96' ' ' PRO . 0.2 OUTLIER 171.25 -53.67 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.622 0.249 . . . . 0.0 111.153 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.471 ' HD3' ' HB3' ' A' ' 95' ' ' ASP . 77.3 Cg_exo -47.31 172.95 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.498 2.132 . . . . 0.0 112.106 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 72.5 p -89.71 -64.39 1.15 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.198 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.858 HD13 HD11 ' A' ' 153' ' ' LEU . 4.1 tt -62.04 -20.79 64.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.121 0.486 . . . . 0.0 110.327 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -50.3 -22.72 5.34 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.539 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.506 ' O ' HD11 ' A' ' 90' ' ' ILE . 45.0 mtt180 -71.84 -33.01 68.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.111 0.482 . . . . 0.0 109.995 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.612 ' HB3' HD23 ' A' ' 98' ' ' LEU . . . -79.45 -33.08 42.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.166 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.547 HD11 HD13 ' A' ' 153' ' ' LEU . 4.2 mt -71.05 -38.6 72.53 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.92 -46.42 71.6 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.513 ' HA ' HD13 ' A' ' 90' ' ' ILE . 73.5 t-105 -44.45 -57.57 3.48 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.792 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.539 ' SD ' HD13 ' A' ' 12' ' ' LEU . 49.4 mtm -69.49 -22.34 63.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.657 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.562 ' O ' HD11 ' A' ' 58' ' ' ILE . . . -77.34 -70.22 0.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.369 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.612 ' HB3' ' CD2' ' A' ' 65' ' ' PHE . 18.2 p-90 -53.07 -42.79 66.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.095 0.474 . . . . 0.0 110.019 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.481 ' N ' ' CG ' ' A' ' 107' ' ' TRP . 53.0 t -55.03 -28.39 51.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.783 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 15.9 ttm -69.61 -57.26 5.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.532 ' CD2' ' HA ' ' A' ' 107' ' ' TRP . 5.3 p80 -69.91 -33.09 71.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 0.0 110.422 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.404 ' N ' ' ND1' ' A' ' 110' ' ' HIS . . . -58.84 -41.83 87.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.762 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' CYS . . . . . . . . . . . . . 97.0 m -69.36 -36.02 76.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.996 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -66.34 -43.48 85.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.946 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 63.7 m -71.04 -41.57 70.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.282 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 111' ' ' ALA . 17.7 mt -62.75 -34.54 77.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.126 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' CYS . . . . . . . . . . . . . 21.3 p -85.83 -41.03 15.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.155 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' CYS . . . . . . . . . . . . . 21.1 m -56.8 -54.05 50.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -67.34 139.91 57.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -69.85 65.59 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.52 ' C ' HG23 ' A' ' 121' ' ' THR . 79.6 p -163.01 150.03 12.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.822 ' O ' ' O ' ' A' ' 122' ' ' PRO . 0.1 OUTLIER 47.38 39.72 0.61 Allowed Pre-proline 0 CA--C 1.532 0.286 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.108 179.777 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.822 ' O ' ' O ' ' A' ' 121' ' ' THR . 31.3 Cg_exo -28.56 -171.2 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 124.369 3.379 . . . . 0.0 114.747 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . 0.478 ' CE1' ' HB2' ' A' ' 27' ' ' PRO . 1.0 OUTLIER -43.11 -23.5 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.271 -179.501 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.933 ' CE2' HG23 ' A' ' 125' ' ' VAL . 14.1 p90 -69.71 -38.67 77.0 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -178.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.933 HG23 ' CE2' ' A' ' 124' ' ' TYR . 7.5 t -82.5 -39.21 15.84 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.152 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.086 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.646 HG12 HG11 ' A' ' 28' ' ' VAL . 14.6 t -60.14 -44.81 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.04 0.447 . . . . 0.0 110.36 179.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -66.35 -42.84 87.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.874 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 125' ' ' VAL . 20.4 mt -50.49 -53.77 27.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.831 0.348 . . . . 0.0 110.662 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.4 ' HB3' ' CE ' ' A' ' 133' ' ' MET . 48.0 m -56.09 -45.81 79.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.743 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.698 HG21 ' CG1' ' A' ' 28' ' ' VAL . 51.0 t -58.11 -42.58 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 14.1 mtp85 -53.82 -50.11 66.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.48 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -75.84 -44.3 20.12 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.652 -0.785 . . . . 0.0 111.899 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' MET . . . . . 0.452 ' HE2' ' CH2' ' A' ' 69' ' ' TRP . 46.3 mtt -57.77 -52.54 65.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.89 0.376 . . . . 0.0 110.549 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.649 ' O ' HD13 ' A' ' 134' ' ' LEU . 2.8 tm? -51.94 -42.04 62.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.505 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -55.07 -44.19 74.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.534 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.32 -28.36 63.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.071 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.432 ' HB3' HD23 ' A' ' 9' ' ' LEU . 39.5 m -54.97 -38.75 68.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -55.95 -22.89 28.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.459 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -65.43 -27.68 72.77 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.534 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.675 HD23 ' HH2' ' A' ' 150' ' ' TRP . 11.0 mp -51.11 -33.45 26.42 Favored 'General case' 0 C--O 1.221 -0.441 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 140' ' ' LEU . 56.4 t0 -41.1 -74.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.794 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -75.6 -36.56 42.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.448 -0.882 . . . . 0.0 111.389 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' TRP . . . . . 0.708 ' CZ3' HD13 ' A' ' 144' ' ' ILE . 9.7 t90 -56.43 -33.49 65.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.343 -0.429 . . . . 0.0 110.531 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.708 HD13 ' CZ3' ' A' ' 143' ' ' TRP . 21.9 mm -78.79 -42.44 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.577 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -46.73 -52.79 13.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.776 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -58.44 -21.29 50.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.832 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 143' ' ' TRP . 4.3 mm-40 -82.48 -36.27 26.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.609 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 121.28 21.84 2.99 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.564 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 59.22 160.28 0.05 OUTLIER Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.228 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 1.0 ' NE1' HG22 ' A' ' 5' ' ' THR . 8.9 m95 -57.68 -23.11 49.86 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 47.5 t -40.81 -26.37 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.738 -176.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 150' ' ' TRP . 4.9 m -87.88 -49.47 7.07 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . 0.858 HD11 HD13 ' A' ' 98' ' ' LEU . 0.6 OUTLIER -72.89 -56.31 5.37 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.381 0.61 . . . . 0.0 111.611 -179.067 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.83 HD11 ' O ' ' A' ' 46' ' ' VAL . 0.6 OUTLIER -65.33 40.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.693 -178.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.48 ' H ' ' C ' ' A' ' 153' ' ' LEU . 32.7 mt-10 -161.75 -80.27 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.883 0.373 . . . . 0.0 110.194 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -71.62 -13.46 61.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.006 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . 0.404 ' O ' ' HB ' ' A' ' 158' ' ' ILE . 5.8 m120 66.37 51.08 1.23 Allowed 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.44 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ILE . . . . . 0.724 HG13 HD23 ' A' ' 153' ' ' LEU . 1.3 mp 65.08 128.96 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.057 178.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.92 141.76 21.61 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.712 2.275 . . . . 0.0 112.135 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -154.61 126.37 1.88 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.611 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 2.2 p30 176.84 47.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -166.81 140.89 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.032 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -175.95 -47.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 53.02 -163.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.774 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 36.0 tp -147.37 57.46 1.13 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.817 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' A' ' 167' ' ' HIS . 56.0 mt-10 -141.37 129.12 21.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' HIS . . . . . 0.429 ' CD2' ' O ' ' A' ' 166' ' ' GLU . 1.6 m170 -179.49 -56.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.73 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -103.03 -164.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.742 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -154.68 37.57 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -91.4 -41.75 10.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -116.63 132.43 56.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.772 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' HIS . . . . . . . . . . . . . 23.6 m80 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.946 -179.984 . . . . . . . . 0 0 . 1 stop_ save_