data_2npl_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 2npl _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.54 -0.224 . . . . 8.04 112.54 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 2' ' ' SER . . . . . . . . . . . . . 52.8 m -60.05 140.0 57.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 6.38 111.142 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 13.8 m -116.78 108.81 16.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 3.57 110.799 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 4' ' ' GLY . . . . . 0.439 ' HA2' ' CA ' ' X' ' 27' ' ' GLU . . . 99.73 -30.2 10.49 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.824 -0.626 . . . . 2.94 114.422 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.93 129.7 36.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 117.418 0.609 . . . . 1.88 112.362 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -124.66 112.19 16.49 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.076 -1.083 . . . . 4.2 108.076 178.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 7.1 m -140.19 129.02 23.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.252 0.549 . . . . 1.15 111.865 -178.05 -43.331 150.01 78.484 104.416 2.03 102.782 -168.249 -102.211 1 1 . 1 . 001 nuclear orig full ' X' X ' 8' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -170.74 164.67 8.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.407 -0.815 . . . . 2.63 109.466 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 9' ' ' VAL . . . . . 0.414 ' CG1' HD22 ' X' ' 88' ' ' LEU . 24.9 t -137.95 140.02 41.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 112.428 0.529 . . . . 1.36 112.428 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 10' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -122.95 97.19 5.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.483 -0.78 . . . . 1.56 110.208 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.33 118.74 0.91 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.668 -0.777 . . . . 1.05 112.061 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 12' ' ' SER . . . . . 0.5 ' O ' ' HB3' ' X' ' 17' ' ' SER . 0.8 OUTLIER -100.56 118.73 37.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.838 0.319 . . . . 1.86 110.526 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 13' ' ' GLU . . . . . 0.705 ' HA ' ' HA ' ' X' ' 90' ' ' VAL . 0.3 OUTLIER -62.96 104.94 0.61 Allowed 'General case' 0 C--N 1.346 0.447 0 O-C-N 125.478 1.737 . . . . 3.29 114.726 -177.096 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 14' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' X' ' 17' ' ' SER . 31.2 mt-10 -159.64 145.79 16.09 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.646 0.26 . . . . 2.32 110.383 175.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 15' ' ' ILE . . . . . 0.428 HG13 ' HA ' ' X' ' 92' ' ' PRO . 55.3 mt -58.62 96.76 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 108.087 -1.079 . . . . 1.74 108.087 177.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.08 36.72 7.51 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 110.754 -0.938 . . . . 1.0 110.754 -177.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 17' ' ' SER . . . . . 0.5 ' HB3' ' O ' ' X' ' 12' ' ' SER . 0.2 OUTLIER -88.62 -165.79 1.42 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.306 0.642 . . . . 2.21 112.426 -178.659 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 18' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -113.01 130.04 56.28 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.535 0.568 . . . . 1.45 112.535 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 19' ' ' PHE . . . . . 0.51 ' CE1' ' CG2' ' X' ' 90' ' ' VAL . 1.6 m-85 -116.62 158.99 22.83 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-N 115.692 -0.686 . . . . 2.48 111.113 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -176.0 136.86 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.854 -0.612 . . . . 2.51 110.84 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 21' ' ' ILE . . . . . 0.43 HD13 ' CE2' ' X' ' 71' ' ' TYR . 3.0 mt -131.76 144.35 37.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.394 -0.366 . . . . 1.72 110.073 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 12.9 mttp -140.01 128.98 23.46 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.662 -0.415 . . . . 2.73 111.88 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 23' ' ' CYS . . . . . 0.429 ' CB ' ' CZ2' ' X' ' 36' ' ' TRP . 6.4 t -152.28 111.38 3.86 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.971 -0.559 . . . . 0.78 111.209 179.24 -159.983 -171.562 -130.483 103.855 2.027 103.477 -170.67 -140.7 2 2 . 1 . 001 nuclear orig full ' X' X ' 24' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -136.23 122.93 14.12 Favored Pre-proline 0 CA--C 1.538 0.485 0 O-C-N 123.494 0.496 . . . . 2.32 111.416 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 25' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -93.43 101.84 0.15 Allowed 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.781 2.321 . . . . 2.97 112.037 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 26' ' ' LYS . . . . . . . . . . . . . 10.6 mmtp -119.17 87.92 2.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.385 -0.37 . . . . 6.19 111.747 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 27' ' ' GLU . . . . . 0.439 ' CA ' ' HA2' ' X' ' 4' ' ' GLY . 2.8 tt0 -107.82 93.38 4.51 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 120.311 -0.556 . . . . 6.77 111.046 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.63 -51.46 0.04 OUTLIER Glycine 0 CA--C 1.535 1.301 0 N-CA-C 114.477 0.551 . . . . 2.73 114.477 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.49 170.01 14.25 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.594 0.758 . . . . 3.32 108.969 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 mp -57.78 139.48 82.05 Favored Pre-proline 0 CA--C 1.536 0.44 0 C-N-CA 121.101 -0.24 . . . . 4.48 110.983 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 31' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.22 170.15 13.87 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 122.664 2.243 . . . . 2.33 113.077 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 32' ' ' LEU . . . . . . . . . . . . . 9.0 mt -98.68 -60.7 1.49 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.058 -0.519 . . . . 2.52 111.308 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 33' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -146.82 144.22 29.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.816 0.341 . . . . 2.04 111.169 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 34' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -160.34 144.36 14.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 2.46 110.87 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 35' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -146.77 143.68 28.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.412 -0.358 . . . . 1.48 110.995 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 36' ' ' TRP . . . . . 0.477 ' CD1' ' O ' ' X' ' 52' ' ' GLU . 16.7 m0 -81.74 156.41 25.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.119 0.485 . . . . 1.34 112.005 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 37' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -144.51 132.36 21.34 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.594 -0.73 . . . . 2.52 109.094 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 38' ' ' LYS . . . . . 0.465 ' HG2' ' CE2' ' X' ' 71' ' ' TYR . 0.0 OUTLIER -145.43 165.6 28.05 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.446 -0.502 . . . . 4.37 112.175 -178.301 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 39' ' ' LEU . . . . . . . . . . . . . 75.5 mt -133.4 97.73 4.04 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 106.76 -1.57 . . . . 2.34 106.76 176.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 40' ' ' SER . . . . . 0.41 ' O ' ' NE2' ' X' ' 43' ' ' GLN . 53.6 m -138.42 124.53 20.22 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.461 -0.791 . . . . 2.76 110.029 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 41' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -45.73 -28.11 0.96 Allowed 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.987 -0.551 . . . . 5.42 111.87 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 42' ' ' SER . . . . . 0.507 ' O ' ' N ' ' X' ' 44' ' ' LYS . 14.4 m -89.97 15.33 10.21 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.893 -0.594 . . . . 4.3 112.487 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 43' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' X' ' 40' ' ' SER . 0.4 OUTLIER -34.56 -12.09 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 116.627 2.084 . . . . 6.95 116.627 -177.826 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 44' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' X' ' 42' ' ' SER . 49.9 mttm -75.4 94.34 3.07 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 120.377 1.444 . . . . 7.1 110.128 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 45' ' ' MET . . . . . 0.401 ' HB2' ' CD1' ' X' ' 49' ' ' TRP . 3.1 mtt -153.06 74.25 6.9 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 114.789 -1.096 . . . . 4.23 109.852 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 46' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -62.22 -60.34 0.21 Allowed 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 121.868 1.712 . . . . 2.45 112.61 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.15 -36.07 82.84 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.227 -0.442 . . . . 2.97 110.034 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -40.45 72.33 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.033 -0.53 . . . . 2.25 111.441 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 49' ' ' TRP . . . . . 0.401 ' CD1' ' HB2' ' X' ' 45' ' ' MET . 12.1 m0 -73.32 -18.18 61.22 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.28 -0.568 . . . . 4.73 110.577 178.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 50' ' ' LEU . . . . . . . . . . . . . 16.2 mt -69.82 -50.55 41.71 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.318 -0.993 . . . . 2.66 108.318 177.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.0 -29.63 68.6 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 114.863 -1.062 . . . . 1.68 109.067 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 52' ' ' GLU . . . . . 0.477 ' O ' ' CD1' ' X' ' 36' ' ' TRP . 55.3 mt-10 -73.6 -29.97 62.71 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.87 -0.604 . . . . 2.29 109.961 178.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 53' ' ' MET . . . . . . . . . . . . . 28.3 mtp -54.7 -40.07 68.79 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 107.343 -1.355 . . . . 3.15 107.343 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 54' ' ' THR . . . . . . . . . . . . . 54.5 p -149.96 98.62 2.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.099 -1.409 . . . . 1.64 107.261 174.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 55' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' X' ' 56' ' ' SER . 0.1 OUTLIER -108.02 -72.44 0.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 114.119 1.155 . . . . 2.26 114.119 -176.489 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 56' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' X' ' 55' ' ' SER . 2.6 m 94.32 -44.78 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 107.91 -1.144 . . . . 1.71 107.91 -175.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 57' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -154.9 136.39 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 115.233 -0.894 . . . . 1.4 109.12 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 58' ' ' ILE . . . . . 0.405 HD12 ' CH2' ' X' ' 36' ' ' TRP . 34.8 mt -142.26 153.34 18.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.224 0.535 . . . . 2.23 112.288 -178.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -129.98 133.26 46.67 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.434 -0.803 . . . . 1.79 109.288 178.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 60' ' ' VAL . . . . . 0.488 ' O ' ' HB2' ' X' ' 19' ' ' PHE . 0.2 OUTLIER -130.0 169.95 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.743 0.306 . . . . 1.39 110.437 -179.118 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 61' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -110.25 135.59 50.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.238 -0.437 . . . . 2.83 110.804 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 62' ' ' ASN . . . . . 0.499 ' ND2' ' CG ' ' X' ' 19' ' ' PHE . 3.9 m-80 -90.02 20.72 4.07 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 116.409 -0.36 . . . . 2.64 110.584 178.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.82 -23.52 2.83 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.364 0.505 . . . . 1.68 112.364 -177.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.48 123.29 49.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.901 0.381 . . . . 1.26 111.312 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 65' ' ' SER . . . . . 0.493 ' O ' ' HA ' ' X' ' 91' ' ' VAL . 0.5 OUTLIER -72.39 4.39 3.81 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.869 -0.605 . . . . 1.35 112.458 179.023 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 66' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -107.32 7.95 29.49 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.571 -0.706 . . . . 2.22 111.122 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 67' ' ' TYR . . . . . 0.469 ' CE1' ' CB ' ' X' ' 42' ' ' SER . 2.4 m-85 -85.4 57.54 4.52 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-O 121.253 0.549 . . . . 2.61 111.817 -178.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 68' ' ' SER . . . . . . . . . . . . . 34.5 t -113.13 113.56 25.56 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.554 -0.535 . . . . 2.02 109.554 178.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 69' ' ' GLY . . . . . . . . . . . . . . . -155.14 169.3 33.16 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.127 -1.035 . . . . 1.14 113.116 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.48 109.83 22.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.846 0.355 . . . . 1.73 110.472 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 71' ' ' TYR . . . . . 0.465 ' CE2' ' HG2' ' X' ' 38' ' ' LYS . 1.6 m-85 -85.33 172.53 11.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.121 -0.49 . . . . 4.7 110.883 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.98 150.22 13.09 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.178 -0.464 . . . . 2.06 110.876 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 73' ' ' CYS . . . . . 0.435 ' HB3' ' HB2' ' X' ' 84' ' ' CYS . 0.5 OUTLIER -126.86 143.6 51.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.998 -0.546 . . . . 0.84 110.354 179.959 -140.7 -170.67 -130.483 103.477 2.027 103.855 -171.562 -159.983 3 3 . 1 . 001 nuclear orig full ' X' X ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.5 130.33 38.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.965 0.412 . . . . 1.65 110.98 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 t -130.14 144.66 37.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.953 -0.567 . . . . 1.45 109.821 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 76' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -137.81 98.82 3.75 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.568 -0.453 . . . . 4.08 112.018 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 77' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -125.87 138.53 53.81 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.104 -0.702 . . . . 3.05 109.104 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 78' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -48.09 -32.16 6.44 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.623 0.725 . . . . 6.8 110.078 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 79' ' ' VAL . . . . . . . . . . . . . 10.0 m -106.2 55.98 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 114.519 -1.219 . . . . 3.65 109.635 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 80' ' ' GLY . . . . . . . . . . . . . . . 124.18 65.37 0.2 Allowed Glycine 0 CA--C 1.526 0.745 0 C-N-CA 119.838 -1.172 . . . . 3.29 115.147 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 81' ' ' SER . . . . . . . . . . . . . 5.0 p -99.83 109.19 21.6 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.008 -0.738 . . . . 2.43 109.008 177.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 82' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -150.63 -170.32 3.62 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 121.118 0.485 . . . . 2.34 111.924 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 83' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -118.08 -174.05 2.57 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.735 -0.666 . . . . 2.5 111.206 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 84' ' ' CYS . . . . . 0.435 ' HB2' ' HB3' ' X' ' 73' ' ' CYS . 0.8 OUTLIER -156.08 162.23 40.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.869 -0.605 . . . . 1.15 111.342 -179.129 -102.211 -168.249 78.484 102.782 2.03 104.416 150.01 -43.331 3 3 . 1 . 001 nuclear orig full ' X' X ' 85' ' ' LEU . . . . . . . . . . . . . 79.6 mt -122.83 117.22 25.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.823 -0.626 . . . . 2.36 110.632 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 86' ' ' LEU . . . . . 0.417 ' HB2' ' HB3' ' X' ' 71' ' ' TYR . 91.3 mt -119.47 154.62 33.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 2.02 110.237 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 87' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -142.98 142.27 31.59 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.871 0.693 . . . . 3.65 112.871 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 88' ' ' LEU . . . . . 0.461 ' CD2' ' CE2' ' X' ' 19' ' ' PHE . 2.2 mt -137.79 141.1 40.87 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.825 -0.625 . . . . 2.22 109.93 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 89' ' ' ASN . . . . . 0.498 ' O ' ' HG3' ' X' ' 13' ' ' GLU . 27.6 t-20 -143.95 124.75 14.21 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 113.221 0.823 . . . . 1.76 113.221 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 90' ' ' VAL . . . . . 0.705 ' HA ' ' HA ' ' X' ' 13' ' ' GLU . 11.2 t -130.42 120.55 48.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-N 115.693 -0.685 . . . . 1.58 111.203 178.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 91' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' X' ' 65' ' ' SER . 2.1 m -144.27 -178.17 0.75 Allowed Pre-proline 0 CA--C 1.544 0.741 0 O-C-N 123.659 0.6 . . . . 1.3 111.218 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 92' ' ' PRO . . . . . 0.464 ' CD ' ' HB ' ' X' ' 91' ' ' VAL . 97.1 Cg_endo -89.39 146.72 5.16 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.184 1.923 . . . . 1.0 112.023 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 93' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -69.93 118.97 6.0 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.04 1.827 . . . . 2.12 111.958 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 94' ' ' SER . . . . . . . . . . . . . 5.0 m -79.97 95.22 6.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 3.18 110.365 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 95' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -74.1 147.75 42.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.026 -0.534 . . . . 4.9 110.717 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 96' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.232 -0.889 . . . . 7.6 110.851 179.866 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.54 -0.224 . . . . 7.77 112.54 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 2' ' ' SER . . . . . . . . . . . . . 52.8 m -60.05 140.0 57.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 6.03 111.142 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 13.8 m -116.78 108.81 16.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 3.05 110.799 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 4' ' ' GLY . . . . . 0.468 ' HA2' ' CA ' ' X' ' 27' ' ' GLU . . . 99.73 -30.2 10.49 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.824 -0.626 . . . . 2.33 114.422 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.93 129.7 36.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 117.418 0.609 . . . . 1.5 112.362 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -124.66 112.19 16.49 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.076 -1.083 . . . . 3.73 108.076 178.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 7.1 m -140.19 129.02 23.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.252 0.549 . . . . 1.15 111.865 -178.05 -43.331 150.01 78.484 104.416 2.03 102.782 -168.249 -102.211 1 1 . 1 . 001 nuclear build full ' X' X ' 8' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -170.74 164.67 8.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.407 -0.815 . . . . 1.86 109.466 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 9' ' ' VAL . . . . . 0.934 HG11 ' HG ' ' X' ' 88' ' ' LEU . 24.9 t -137.95 140.02 41.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 112.428 0.529 . . . . 0.87 112.428 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 10' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -122.95 97.19 5.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.483 -0.78 . . . . 1.56 110.208 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.33 118.74 0.91 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.668 -0.777 . . . . 0.92 112.061 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 12' ' ' SER . . . . . 0.512 ' O ' ' HB3' ' X' ' 17' ' ' SER . 0.8 OUTLIER -100.56 118.73 37.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.838 0.319 . . . . 1.43 110.526 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 13' ' ' GLU . . . . . 0.68 ' HA ' ' HA ' ' X' ' 90' ' ' VAL . 0.3 OUTLIER -62.96 104.94 0.61 Allowed 'General case' 0 C--N 1.346 0.447 0 O-C-N 125.478 1.737 . . . . 3.29 114.726 -177.096 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 14' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' X' ' 17' ' ' SER . 31.2 mt-10 -159.64 145.79 16.09 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.646 0.26 . . . . 2.32 110.383 175.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 15' ' ' ILE . . . . . 0.68 HD11 ' HB3' ' X' ' 92' ' ' PRO . 55.3 mt -58.62 96.76 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 108.087 -1.079 . . . . 1.21 108.087 177.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.08 36.72 7.51 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 110.754 -0.938 . . . . 1.0 110.754 -177.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 17' ' ' SER . . . . . 0.536 ' CA ' ' HB2' ' X' ' 62' ' ' ASN . 0.2 OUTLIER -88.62 -165.79 1.42 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.306 0.642 . . . . 1.72 112.426 -178.659 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 18' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -113.01 130.04 56.28 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.535 0.568 . . . . 1.45 112.535 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 19' ' ' PHE . . . . . 0.961 ' HE2' HD22 ' X' ' 88' ' ' LEU . 1.6 m-85 -116.62 158.99 22.83 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-N 115.692 -0.686 . . . . 1.66 111.113 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -176.0 136.86 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.854 -0.612 . . . . 2.03 110.84 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 21' ' ' ILE . . . . . 0.626 HG12 HD21 ' X' ' 88' ' ' LEU . 3.0 mt -131.76 144.35 37.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.394 -0.366 . . . . 1.11 110.073 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 22' ' ' LYS . . . . . 0.479 ' CD ' HG13 ' X' ' 57' ' ' VAL . 12.9 mttp -140.01 128.98 23.46 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.662 -0.415 . . . . 2.28 111.88 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 23' ' ' CYS . . . . . 0.455 ' HB3' ' CZ2' ' X' ' 36' ' ' TRP . 6.4 t -152.28 111.38 3.86 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.971 -0.559 . . . . 0.78 111.209 179.24 -159.983 -171.562 -130.483 103.855 2.027 103.477 -170.67 -140.7 2 2 . 1 . 001 nuclear build full ' X' X ' 24' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' X' ' 56' ' ' SER . 5.1 mt-10 -136.23 122.93 14.12 Favored Pre-proline 0 CA--C 1.538 0.485 0 O-C-N 123.494 0.496 . . . . 2.32 111.416 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 25' ' ' PRO . . . . . 0.805 ' CB ' HG11 ' X' ' 75' ' ' VAL . 42.6 Cg_endo -93.43 101.84 0.15 Allowed 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.781 2.321 . . . . 2.54 112.037 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 26' ' ' LYS . . . . . 0.412 ' C ' ' HA2' ' X' ' 4' ' ' GLY . 10.6 mmtp -119.17 87.92 2.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.385 -0.37 . . . . 5.85 111.747 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 27' ' ' GLU . . . . . 0.468 ' CA ' ' HA2' ' X' ' 4' ' ' GLY . 2.8 tt0 -107.82 93.38 4.51 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 120.311 -0.556 . . . . 6.77 111.046 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.63 -51.46 0.04 OUTLIER Glycine 0 CA--C 1.535 1.301 0 N-CA-C 114.477 0.551 . . . . 2.44 114.477 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 29' ' ' SER . . . . . 0.409 ' N ' ' O ' ' X' ' 27' ' ' GLU . 0.7 OUTLIER -129.49 170.01 14.25 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.594 0.758 . . . . 3.0 108.969 179.738 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 30' ' ' LEU . . . . . 0.489 ' H ' HD12 ' X' ' 30' ' ' LEU . 1.3 mp -57.78 139.48 82.05 Favored Pre-proline 0 CA--C 1.536 0.44 0 C-N-CA 121.101 -0.24 . . . . 4.02 110.983 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 31' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.22 170.15 13.87 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 122.664 2.243 . . . . 2.02 113.077 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 32' ' ' LEU . . . . . 0.469 HD12 ' HG3' ' X' ' 78' ' ' ARG . 9.0 mt -98.68 -60.7 1.49 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.058 -0.519 . . . . 2.01 111.308 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 33' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -146.82 144.22 29.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.816 0.341 . . . . 1.77 111.169 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 34' ' ' TYR . . . . . 0.8 ' HB3' HG13 ' X' ' 75' ' ' VAL . 1.7 p90 -160.34 144.36 14.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 1.63 110.87 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 35' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -146.77 143.68 28.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.412 -0.358 . . . . 1.48 110.995 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 36' ' ' TRP . . . . . 0.561 ' CH2' HD12 ' X' ' 58' ' ' ILE . 16.7 m0 -81.74 156.41 25.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.119 0.485 . . . . 1.15 112.005 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 37' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -144.51 132.36 21.34 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.594 -0.73 . . . . 2.1 109.094 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 38' ' ' LYS . . . . . 0.483 ' HG2' ' CE2' ' X' ' 71' ' ' TYR . 0.0 OUTLIER -145.43 165.6 28.05 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.446 -0.502 . . . . 3.97 112.175 -178.301 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 39' ' ' LEU . . . . . 0.401 HD23 ' O ' ' X' ' 38' ' ' LYS . 75.5 mt -133.4 97.73 4.04 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 106.76 -1.57 . . . . 1.81 106.76 176.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 40' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' X' ' 43' ' ' GLN . 53.6 m -138.42 124.53 20.22 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.461 -0.791 . . . . 2.47 110.029 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 41' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -45.73 -28.11 0.96 Allowed 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.987 -0.551 . . . . 5.42 111.87 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 42' ' ' SER . . . . . 0.507 ' O ' ' N ' ' X' ' 44' ' ' LYS . 14.4 m -89.97 15.33 10.21 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.893 -0.594 . . . . 3.95 112.487 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 43' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' X' ' 40' ' ' SER . 3.0 mt-30 -34.56 -12.09 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 116.627 2.084 . . . . 6.22 116.627 -177.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 44' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' X' ' 42' ' ' SER . 49.9 mttm -75.4 94.34 3.07 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 120.377 1.444 . . . . 6.65 110.128 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 45' ' ' MET . . . . . 0.423 ' HB2' ' CD1' ' X' ' 49' ' ' TRP . 3.1 mtt -153.06 74.25 6.9 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 114.789 -1.096 . . . . 3.87 109.852 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 46' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -62.22 -60.34 0.21 Allowed 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 121.868 1.712 . . . . 2.04 112.61 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.15 -36.07 82.84 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.227 -0.442 . . . . 2.65 110.034 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -40.45 72.33 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.033 -0.53 . . . . 1.87 111.441 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 49' ' ' TRP . . . . . 0.423 ' CD1' ' HB2' ' X' ' 45' ' ' MET . 12.1 m0 -73.32 -18.18 61.22 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.28 -0.568 . . . . 3.87 110.577 178.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 50' ' ' LEU . . . . . . . . . . . . . 16.2 mt -69.82 -50.55 41.71 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.318 -0.993 . . . . 2.25 108.318 177.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.0 -29.63 68.6 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 114.863 -1.062 . . . . 1.18 109.067 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 52' ' ' GLU . . . . . 0.477 ' O ' ' CD1' ' X' ' 36' ' ' TRP . 55.3 mt-10 -73.6 -29.97 62.71 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.87 -0.604 . . . . 2.29 109.961 178.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 53' ' ' MET . . . . . . . . . . . . . 28.3 mtp -54.7 -40.07 68.79 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 107.343 -1.355 . . . . 2.67 107.343 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 54' ' ' THR . . . . . 0.469 HG22 ' CE1' ' X' ' 34' ' ' TYR . 54.5 p -149.96 98.62 2.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.099 -1.409 . . . . 1.14 107.261 174.145 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 55' ' ' SER . . . . . 0.615 ' CB ' HD11 ' X' ' 58' ' ' ILE . 0.1 OUTLIER -108.02 -72.44 0.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 114.119 1.155 . . . . 1.91 114.119 -176.489 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 56' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' X' ' 55' ' ' SER . 2.6 m 94.32 -44.78 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 107.91 -1.144 . . . . 1.27 107.91 -175.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 57' ' ' VAL . . . . . 0.479 HG13 ' CD ' ' X' ' 22' ' ' LYS . 0.2 OUTLIER -154.9 136.39 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 115.233 -0.894 . . . . 0.84 109.12 178.355 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 58' ' ' ILE . . . . . 0.615 HD11 ' CB ' ' X' ' 55' ' ' SER . 34.8 mt -142.26 153.34 18.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.224 0.535 . . . . 1.59 112.288 -178.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 59' ' ' SER . . . . . 0.421 ' N ' HG22 ' X' ' 58' ' ' ILE . 1.5 m -129.98 133.26 46.67 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.434 -0.803 . . . . 1.43 109.288 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 60' ' ' VAL . . . . . 0.565 ' O ' ' HB2' ' X' ' 19' ' ' PHE . 0.2 OUTLIER -130.0 169.95 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.743 0.306 . . . . 0.84 110.437 -179.118 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 61' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -110.25 135.59 50.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.238 -0.437 . . . . 2.33 110.804 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 62' ' ' ASN . . . . . 0.832 ' OD1' HG22 ' X' ' 90' ' ' VAL . 3.9 m-80 -90.02 20.72 4.07 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 116.409 -0.36 . . . . 2.36 110.584 178.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.82 -23.52 2.83 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.364 0.505 . . . . 1.09 112.364 -177.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.48 123.29 49.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.901 0.381 . . . . 1.01 111.312 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 65' ' ' SER . . . . . 0.503 ' O ' ' HA ' ' X' ' 91' ' ' VAL . 0.5 OUTLIER -72.39 4.39 3.81 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.869 -0.605 . . . . 0.93 112.458 179.023 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 66' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -107.32 7.95 29.49 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.571 -0.706 . . . . 2.22 111.122 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 67' ' ' TYR . . . . . 0.472 ' HB2' ' HB ' ' X' ' 90' ' ' VAL . 2.4 m-85 -85.4 57.54 4.52 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-O 121.253 0.549 . . . . 1.79 111.817 -178.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 68' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' X' ' 89' ' ' ASN . 34.5 t -113.13 113.56 25.56 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.554 -0.535 . . . . 1.52 109.554 178.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 69' ' ' GLY . . . . . . . . . . . . . . . -155.14 169.3 33.16 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.127 -1.035 . . . . 0.89 113.116 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.48 109.83 22.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.846 0.355 . . . . 1.3 110.472 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 71' ' ' TYR . . . . . 0.667 ' CG ' HD12 ' X' ' 88' ' ' LEU . 1.6 m-85 -85.33 172.53 11.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.121 -0.49 . . . . 4.5 110.883 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.98 150.22 13.09 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.178 -0.464 . . . . 1.6 110.876 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 73' ' ' CYS . . . . . 0.497 ' HB3' ' HB2' ' X' ' 84' ' ' CYS . 0.5 OUTLIER -126.86 143.6 51.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.998 -0.546 . . . . 0.75 110.354 179.959 -140.7 -170.67 -130.483 103.477 2.027 103.855 -171.562 -159.983 3 3 . 1 . 001 nuclear build full ' X' X ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.5 130.33 38.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.965 0.412 . . . . 1.16 110.98 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 75' ' ' VAL . . . . . 0.805 HG11 ' CB ' ' X' ' 25' ' ' PRO . 2.8 t -130.14 144.66 37.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.953 -0.567 . . . . 0.93 109.821 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 76' ' ' ARG . . . . . 0.406 ' HA ' ' HA ' ' X' ' 81' ' ' SER . 50.5 mtt180 -137.81 98.82 3.75 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.568 -0.453 . . . . 3.54 112.018 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 77' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -125.87 138.53 53.81 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.104 -0.702 . . . . 2.4 109.104 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 78' ' ' ARG . . . . . 0.469 ' HG3' HD12 ' X' ' 32' ' ' LEU . 93.9 mtt180 -48.09 -32.16 6.44 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.623 0.725 . . . . 6.2 110.078 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 79' ' ' VAL . . . . . . . . . . . . . 10.0 m -106.2 55.98 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 114.519 -1.219 . . . . 3.33 109.635 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 80' ' ' GLY . . . . . . . . . . . . . . . 124.18 65.37 0.2 Allowed Glycine 0 CA--C 1.526 0.745 0 C-N-CA 119.838 -1.172 . . . . 2.55 115.147 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 81' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' X' ' 76' ' ' ARG . 5.0 p -99.83 109.19 21.6 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.008 -0.738 . . . . 1.96 109.008 177.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 82' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -150.63 -170.32 3.62 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 121.118 0.485 . . . . 2.34 111.924 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 83' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -118.08 -174.05 2.57 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.735 -0.666 . . . . 2.16 111.206 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 84' ' ' CYS . . . . . 0.497 ' HB2' ' HB3' ' X' ' 73' ' ' CYS . 0.8 OUTLIER -156.08 162.23 40.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.869 -0.605 . . . . 0.95 111.342 -179.129 -102.211 -168.249 78.484 102.782 2.03 104.416 150.01 -43.331 3 3 . 1 . 001 nuclear build full ' X' X ' 85' ' ' LEU . . . . . . . . . . . . . 79.6 mt -122.83 117.22 25.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.823 -0.626 . . . . 1.89 110.632 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 86' ' ' LEU . . . . . 0.477 ' HB2' ' HB3' ' X' ' 71' ' ' TYR . 91.3 mt -119.47 154.62 33.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 1.44 110.237 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 87' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -142.98 142.27 31.59 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.871 0.693 . . . . 3.12 112.871 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 88' ' ' LEU . . . . . 0.961 HD22 ' HE2' ' X' ' 19' ' ' PHE . 2.2 mt -137.79 141.1 40.87 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.825 -0.625 . . . . 1.56 109.93 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 89' ' ' ASN . . . . . 0.522 ' O ' ' HG3' ' X' ' 13' ' ' GLU . 27.6 t-20 -143.95 124.75 14.21 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 113.221 0.823 . . . . 1.22 113.221 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 90' ' ' VAL . . . . . 0.832 HG22 ' OD1' ' X' ' 62' ' ' ASN . 11.2 t -130.42 120.55 48.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-N 115.693 -0.685 . . . . 0.94 111.203 178.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 91' ' ' VAL . . . . . 0.512 ' HB ' ' CD ' ' X' ' 92' ' ' PRO . 2.1 m -144.27 -178.17 0.75 Allowed Pre-proline 0 CA--C 1.544 0.741 0 O-C-N 123.659 0.6 . . . . 0.73 111.218 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 92' ' ' PRO . . . . . 0.68 ' HB3' HD11 ' X' ' 15' ' ' ILE . 97.1 Cg_endo -89.39 146.72 5.16 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.184 1.923 . . . . 1.0 112.023 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 93' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -69.93 118.97 6.0 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.04 1.827 . . . . 1.63 111.958 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 94' ' ' SER . . . . . . . . . . . . . 5.0 m -79.97 95.22 6.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 2.9 110.365 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 95' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -74.1 147.75 42.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.026 -0.534 . . . . 4.31 110.717 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 96' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.232 -0.889 . . . . 7.27 110.851 179.866 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.54 -0.224 . . . . 7.77 112.54 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 2' ' ' SER . . . . . . . . . . . . . 52.8 m -60.05 140.0 57.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 6.03 111.142 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 13.8 m -116.78 108.81 16.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 3.05 110.799 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 4' ' ' GLY . . . . . 0.468 ' HA2' ' CA ' ' X' ' 27' ' ' GLU . . . 99.73 -30.2 10.49 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.824 -0.626 . . . . 2.33 114.422 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.93 129.7 36.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 117.418 0.609 . . . . 1.5 112.362 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -124.66 112.19 16.49 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.076 -1.083 . . . . 3.73 108.076 178.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 7.1 m -140.19 129.02 23.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.252 0.549 . . . . 1.15 111.865 -178.05 -43.331 150.01 78.484 104.416 2.03 102.782 -168.249 -102.211 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 8' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -170.74 164.67 8.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.407 -0.815 . . . . 1.86 109.466 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 9' ' ' VAL . . . . . 0.934 HG11 ' HG ' ' X' ' 88' ' ' LEU . 24.9 t -137.95 140.02 41.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 112.428 0.529 . . . . 0.87 112.428 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 10' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -122.95 97.19 5.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.483 -0.78 . . . . 1.56 110.208 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.33 118.74 0.91 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.668 -0.777 . . . . 0.92 112.061 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . 0.512 ' O ' ' HB3' ' X' ' 17' ' ' SER . 0.8 OUTLIER -100.56 118.73 37.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.838 0.319 . . . . 1.43 110.526 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 13' ' ' GLU . . . . . 0.68 ' HA ' ' HA ' ' X' ' 90' ' ' VAL . 0.3 OUTLIER -62.96 104.94 0.61 Allowed 'General case' 0 C--N 1.346 0.447 0 O-C-N 125.478 1.737 . . . . 3.29 114.726 -177.096 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 14' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' X' ' 17' ' ' SER . 31.2 mt-10 -159.64 145.79 16.09 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 120.646 0.26 . . . . 2.32 110.383 175.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 15' ' ' ILE . . . . . 0.68 HD11 ' HB3' ' X' ' 92' ' ' PRO . 55.3 mt -58.62 96.76 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 108.087 -1.079 . . . . 1.21 108.087 177.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.08 36.72 7.51 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 110.754 -0.938 . . . . 1.0 110.754 -177.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 17' ' ' SER . . . . . 0.536 ' CA ' ' HB2' ' X' ' 62' ' ' ASN . 0.2 OUTLIER -88.62 -165.79 1.42 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.306 0.642 . . . . 1.72 112.426 -178.659 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 18' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -113.01 130.04 56.28 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.535 0.568 . . . . 1.45 112.535 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 19' ' ' PHE . . . . . 0.961 ' HE2' HD22 ' X' ' 88' ' ' LEU . 1.6 m-85 -116.62 158.99 22.83 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-N 115.692 -0.686 . . . . 1.66 111.113 -179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -176.0 136.86 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.854 -0.612 . . . . 2.03 110.84 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 21' ' ' ILE . . . . . 0.626 HG12 HD21 ' X' ' 88' ' ' LEU . 3.0 mt -131.76 144.35 37.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.394 -0.366 . . . . 1.11 110.073 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . 0.479 ' CD ' HG13 ' X' ' 57' ' ' VAL . 12.9 mttp -140.01 128.98 23.46 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.662 -0.415 . . . . 2.28 111.88 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 23' ' ' CYS . . . . . 0.455 ' HB3' ' CZ2' ' X' ' 36' ' ' TRP . 6.4 t -152.28 111.38 3.86 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.971 -0.559 . . . . 0.78 111.209 179.24 -159.983 -171.562 -130.483 103.855 2.027 103.477 -170.67 -140.7 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 24' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' X' ' 56' ' ' SER . 5.1 mt-10 -136.23 122.93 14.12 Favored Pre-proline 0 CA--C 1.538 0.485 0 O-C-N 123.494 0.496 . . . . 2.32 111.416 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 25' ' ' PRO . . . . . 0.805 ' CB ' HG11 ' X' ' 75' ' ' VAL . 42.6 Cg_endo -93.43 101.84 0.15 Allowed 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.781 2.321 . . . . 2.54 112.037 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 26' ' ' LYS . . . . . 0.412 ' C ' ' HA2' ' X' ' 4' ' ' GLY . 10.6 mmtp -119.17 87.92 2.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.385 -0.37 . . . . 5.85 111.747 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 27' ' ' GLU . . . . . 0.468 ' CA ' ' HA2' ' X' ' 4' ' ' GLY . 2.8 tt0 -107.82 93.38 4.51 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 120.311 -0.556 . . . . 6.77 111.046 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.63 -51.46 0.04 OUTLIER Glycine 0 CA--C 1.535 1.301 0 N-CA-C 114.477 0.551 . . . . 2.44 114.477 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 29' ' ' SER . . . . . 0.409 ' N ' ' O ' ' X' ' 27' ' ' GLU . 0.7 OUTLIER -129.49 170.01 14.25 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.594 0.758 . . . . 3.0 108.969 179.738 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 30' ' ' LEU . . . . . 0.489 ' H ' HD12 ' X' ' 30' ' ' LEU . 1.3 mp -57.78 139.48 82.05 Favored Pre-proline 0 CA--C 1.536 0.44 0 C-N-CA 121.101 -0.24 . . . . 4.02 110.983 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 31' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.22 170.15 13.87 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 122.664 2.243 . . . . 2.02 113.077 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 32' ' ' LEU . . . . . 0.469 HD12 ' HG3' ' X' ' 78' ' ' ARG . 9.0 mt -98.68 -60.7 1.49 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.058 -0.519 . . . . 2.01 111.308 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 33' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -146.82 144.22 29.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.816 0.341 . . . . 1.77 111.169 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 34' ' ' TYR . . . . . 0.8 ' HB3' HG13 ' X' ' 75' ' ' VAL . 1.7 p90 -160.34 144.36 14.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 1.63 110.87 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 35' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -146.77 143.68 28.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.412 -0.358 . . . . 1.48 110.995 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 36' ' ' TRP . . . . . 0.561 ' CH2' HD12 ' X' ' 58' ' ' ILE . 16.7 m0 -81.74 156.41 25.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.119 0.485 . . . . 1.15 112.005 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 37' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -144.51 132.36 21.34 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.594 -0.73 . . . . 2.1 109.094 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 38' ' ' LYS . . . . . 0.483 ' HG2' ' CE2' ' X' ' 71' ' ' TYR . 0.0 OUTLIER -145.43 165.6 28.05 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.446 -0.502 . . . . 3.97 112.175 -178.301 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 39' ' ' LEU . . . . . 0.401 HD23 ' O ' ' X' ' 38' ' ' LYS . 75.5 mt -133.4 97.73 4.04 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 106.76 -1.57 . . . . 1.81 106.76 176.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 40' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' X' ' 43' ' ' GLN . 53.6 m -138.42 124.53 20.22 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.461 -0.791 . . . . 2.47 110.029 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 41' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -45.73 -28.11 0.96 Allowed 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.987 -0.551 . . . . 5.42 111.87 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 42' ' ' SER . . . . . 0.507 ' O ' ' N ' ' X' ' 44' ' ' LYS . 14.4 m -89.97 15.33 10.21 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.893 -0.594 . . . . 3.95 112.487 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 43' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' X' ' 40' ' ' SER . 0.4 OUTLIER -34.56 -12.09 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 116.627 2.084 . . . . 6.22 116.627 -177.826 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 44' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' X' ' 42' ' ' SER . 49.9 mttm -75.4 94.34 3.07 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 120.377 1.444 . . . . 6.65 110.128 -179.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 45' ' ' MET . . . . . 0.423 ' HB2' ' CD1' ' X' ' 49' ' ' TRP . 3.1 mtt -153.06 74.25 6.9 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 114.789 -1.096 . . . . 3.87 109.852 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 46' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -62.22 -60.34 0.21 Allowed 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 121.868 1.712 . . . . 2.04 112.61 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.15 -36.07 82.84 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.227 -0.442 . . . . 2.65 110.034 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -40.45 72.33 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.033 -0.53 . . . . 1.87 111.441 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 49' ' ' TRP . . . . . 0.423 ' CD1' ' HB2' ' X' ' 45' ' ' MET . 12.1 m0 -73.32 -18.18 61.22 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 120.28 -0.568 . . . . 3.87 110.577 178.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 50' ' ' LEU . . . . . . . . . . . . . 16.2 mt -69.82 -50.55 41.71 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.318 -0.993 . . . . 2.25 108.318 177.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.0 -29.63 68.6 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 114.863 -1.062 . . . . 1.18 109.067 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 52' ' ' GLU . . . . . 0.477 ' O ' ' CD1' ' X' ' 36' ' ' TRP . 55.3 mt-10 -73.6 -29.97 62.71 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.87 -0.604 . . . . 2.29 109.961 178.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 53' ' ' MET . . . . . . . . . . . . . 28.3 mtp -54.7 -40.07 68.79 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 107.343 -1.355 . . . . 2.67 107.343 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 54' ' ' THR . . . . . 0.469 HG22 ' CE1' ' X' ' 34' ' ' TYR . 54.5 p -149.96 98.62 2.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.099 -1.409 . . . . 1.14 107.261 174.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 55' ' ' SER . . . . . 0.615 ' CB ' HD11 ' X' ' 58' ' ' ILE . 0.1 OUTLIER -108.02 -72.44 0.72 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 114.119 1.155 . . . . 1.91 114.119 -176.489 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 56' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' X' ' 55' ' ' SER . 2.6 m 94.32 -44.78 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 107.91 -1.144 . . . . 1.27 107.91 -175.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 57' ' ' VAL . . . . . 0.479 HG13 ' CD ' ' X' ' 22' ' ' LYS . 0.2 OUTLIER -154.9 136.39 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 115.233 -0.894 . . . . 0.84 109.12 178.355 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 58' ' ' ILE . . . . . 0.615 HD11 ' CB ' ' X' ' 55' ' ' SER . 34.8 mt -142.26 153.34 18.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.224 0.535 . . . . 1.59 112.288 -178.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 59' ' ' SER . . . . . 0.421 ' N ' HG22 ' X' ' 58' ' ' ILE . 1.5 m -129.98 133.26 46.67 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.434 -0.803 . . . . 1.43 109.288 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 60' ' ' VAL . . . . . 0.565 ' O ' ' HB2' ' X' ' 19' ' ' PHE . 0.2 OUTLIER -130.0 169.95 20.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.743 0.306 . . . . 0.84 110.437 -179.118 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 61' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -110.25 135.59 50.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.238 -0.437 . . . . 2.33 110.804 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 62' ' ' ASN . . . . . 0.832 ' OD1' HG22 ' X' ' 90' ' ' VAL . 3.9 m-80 -90.02 20.72 4.07 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 116.409 -0.36 . . . . 2.36 110.584 178.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.82 -23.52 2.83 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.364 0.505 . . . . 1.09 112.364 -177.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.48 123.29 49.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.901 0.381 . . . . 1.01 111.312 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 65' ' ' SER . . . . . 0.503 ' O ' ' HA ' ' X' ' 91' ' ' VAL . 0.5 OUTLIER -72.39 4.39 3.81 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.869 -0.605 . . . . 0.93 112.458 179.023 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 66' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -107.32 7.95 29.49 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.571 -0.706 . . . . 2.22 111.122 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 67' ' ' TYR . . . . . 0.472 ' HB2' ' HB ' ' X' ' 90' ' ' VAL . 2.4 m-85 -85.4 57.54 4.52 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-O 121.253 0.549 . . . . 1.79 111.817 -178.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 68' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' X' ' 89' ' ' ASN . 34.5 t -113.13 113.56 25.56 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.554 -0.535 . . . . 1.52 109.554 178.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 69' ' ' GLY . . . . . . . . . . . . . . . -155.14 169.3 33.16 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.127 -1.035 . . . . 0.89 113.116 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.48 109.83 22.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.846 0.355 . . . . 1.3 110.472 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 71' ' ' TYR . . . . . 0.667 ' CG ' HD12 ' X' ' 88' ' ' LEU . 1.6 m-85 -85.33 172.53 11.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.121 -0.49 . . . . 4.5 110.883 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 72' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.98 150.22 13.09 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.178 -0.464 . . . . 1.6 110.876 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 73' ' ' CYS . . . . . 0.497 ' HB3' ' HB2' ' X' ' 84' ' ' CYS . 0.5 OUTLIER -126.86 143.6 51.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.998 -0.546 . . . . 0.75 110.354 179.959 -140.7 -170.67 -130.483 103.477 2.027 103.855 -171.562 -159.983 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 74' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.5 130.33 38.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.965 0.412 . . . . 1.16 110.98 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 75' ' ' VAL . . . . . 0.805 HG11 ' CB ' ' X' ' 25' ' ' PRO . 2.8 t -130.14 144.66 37.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.953 -0.567 . . . . 0.93 109.821 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 76' ' ' ARG . . . . . 0.406 ' HA ' ' HA ' ' X' ' 81' ' ' SER . 50.5 mtt180 -137.81 98.82 3.75 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.568 -0.453 . . . . 3.54 112.018 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 77' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -125.87 138.53 53.81 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.104 -0.702 . . . . 2.4 109.104 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 78' ' ' ARG . . . . . 0.469 ' HG3' HD12 ' X' ' 32' ' ' LEU . 93.9 mtt180 -48.09 -32.16 6.44 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.623 0.725 . . . . 6.2 110.078 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 79' ' ' VAL . . . . . . . . . . . . . 10.0 m -106.2 55.98 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 114.519 -1.219 . . . . 3.33 109.635 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 80' ' ' GLY . . . . . . . . . . . . . . . 124.18 65.37 0.2 Allowed Glycine 0 CA--C 1.526 0.745 0 C-N-CA 119.838 -1.172 . . . . 2.55 115.147 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 81' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' X' ' 76' ' ' ARG . 5.0 p -99.83 109.19 21.6 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.008 -0.738 . . . . 1.96 109.008 177.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 82' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -150.63 -170.32 3.62 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 121.118 0.485 . . . . 2.34 111.924 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 83' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -118.08 -174.05 2.57 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.735 -0.666 . . . . 2.16 111.206 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 84' ' ' CYS . . . . . 0.497 ' HB2' ' HB3' ' X' ' 73' ' ' CYS . 0.8 OUTLIER -156.08 162.23 40.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.869 -0.605 . . . . 0.95 111.342 -179.129 -102.211 -168.249 78.484 102.782 2.03 104.416 150.01 -43.331 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 85' ' ' LEU . . . . . . . . . . . . . 79.6 mt -122.83 117.22 25.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.823 -0.626 . . . . 1.89 110.632 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 86' ' ' LEU . . . . . 0.477 ' HB2' ' HB3' ' X' ' 71' ' ' TYR . 91.3 mt -119.47 154.62 33.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 1.44 110.237 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 87' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -142.98 142.27 31.59 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.871 0.693 . . . . 3.12 112.871 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 88' ' ' LEU . . . . . 0.961 HD22 ' HE2' ' X' ' 19' ' ' PHE . 2.2 mt -137.79 141.1 40.87 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.825 -0.625 . . . . 1.56 109.93 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 89' ' ' ASN . . . . . 0.522 ' O ' ' HG3' ' X' ' 13' ' ' GLU . 27.6 t-20 -143.95 124.75 14.21 Favored 'General case' 0 C--O 1.239 0.515 0 N-CA-C 113.221 0.823 . . . . 1.22 113.221 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 90' ' ' VAL . . . . . 0.832 HG22 ' OD1' ' X' ' 62' ' ' ASN . 11.2 t -130.42 120.55 48.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-N 115.693 -0.685 . . . . 0.94 111.203 178.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 91' ' ' VAL . . . . . 0.512 ' HB ' ' CD ' ' X' ' 92' ' ' PRO . 2.1 m -144.27 -178.17 0.75 Allowed Pre-proline 0 CA--C 1.544 0.741 0 O-C-N 123.659 0.6 . . . . 0.73 111.218 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 92' ' ' PRO . . . . . 0.68 ' HB3' HD11 ' X' ' 15' ' ' ILE . 97.1 Cg_endo -89.39 146.72 5.16 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.184 1.923 . . . . 1.0 112.023 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 93' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -69.93 118.97 6.0 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.04 1.827 . . . . 1.63 111.958 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 94' ' ' SER . . . . . . . . . . . . . 5.0 m -79.97 95.22 6.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.416 . . . . 2.9 110.365 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 95' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -74.1 147.75 42.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.026 -0.534 . . . . 4.31 110.717 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 96' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.232 -0.889 . . . . 7.27 110.851 179.866 . . . . . . . . 0 0 . 1 stop_ save_