data_2jn0_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 2jn0 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 CA--C 1.518 -0.271 0 CA-C-O 121.173 0.511 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.499 ' HE1' HD13 ' A' ' 15' ' ' ILE . 56.1 ttp -113.03 101.14 9.18 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.368 179.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.599 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . . . -80.28 122.64 27.14 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 173.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.4 p -104.04 -179.66 4.01 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -171.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.661 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 33.7 ttpt -48.9 -43.09 38.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.507 -1.224 . . . . 0.0 112.161 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -78.0 -2.61 37.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.579 -175.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.28 -7.27 82.08 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.597 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 13' ' ' ARG . 7.5 ptp85 -74.45 134.52 42.33 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.087 0.47 . . . . 0.0 110.455 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.5 ttm -91.71 114.85 27.49 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.097 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.499 HD13 ' HE1' ' A' ' 7' ' ' MET . 69.7 mt -95.89 125.95 48.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.516 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 16' ' ' LEU . 2.9 mm? -75.28 111.28 10.37 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 176.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.436 ' HB ' ' H ' ' A' ' 19' ' ' GLY . 3.7 p -110.95 156.66 20.89 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.365 -176.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.897 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 7.5 t70 -65.2 -22.37 66.89 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 164.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.436 ' H ' ' HB ' ' A' ' 17' ' ' THR . . . 93.96 -170.14 30.22 Favored Glycine 0 CA--C 1.496 -1.127 0 CA-C-N 113.438 -1.71 . . . . 0.0 110.956 171.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp 65.86 55.03 1.04 Allowed Pre-proline 0 CA--C 1.534 0.339 0 C-N-CA 118.751 -1.18 . . . . 0.0 111.82 160.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -85.55 149.63 10.1 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.531 2.154 . . . . 0.0 113.808 -170.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -109.36 117.7 34.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.432 177.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.492 HG12 HG23 ' A' ' 30' ' ' VAL . 50.5 mt -95.65 130.47 44.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.804 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -82.85 96.36 8.22 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 169.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -77.58 2.35 16.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.632 -170.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -87.11 -12.89 45.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.983 0.421 . . . . 0.0 110.266 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.557 HG21 ' HG ' ' A' ' 29' ' ' LEU . 6.4 t -137.74 -35.52 0.65 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.204 178.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.425 ' O ' ' HG2' ' A' ' 44' ' ' ARG . . . 105.14 32.49 4.01 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.573 -179.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.557 ' HG ' HG21 ' A' ' 27' ' ' THR . 52.2 mt -103.23 132.59 49.37 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.559 HG21 HG22 ' A' ' 47' ' ' VAL . 46.8 t -107.08 110.87 33.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.277 -174.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.4 m -84.52 105.17 15.13 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.475 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 16.3 p90 -110.47 175.56 5.38 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.897 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 24.9 m170 -120.59 117.58 27.96 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.497 ' HB3' ' OE1' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -74.36 175.83 7.3 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.178 0.513 . . . . 0.0 111.698 175.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -57.35 -31.72 66.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.45 -177.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.497 ' OE1' ' HB3' ' A' ' 34' ' ' ASP . 15.8 mp0 -80.61 0.34 34.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.797 -175.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.6 35.32 29.18 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.489 -0.862 . . . . 0.0 111.284 -176.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.525 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 92.7 m-20 -103.18 125.72 50.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.692 -0.254 . . . . 0.0 110.911 -177.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 32' ' ' TYR . . . -90.69 100.22 13.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.942 176.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.451 ' HE3' ' OH ' ' A' ' 32' ' ' TYR . 77.8 mtm -121.91 160.26 25.16 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.155 -177.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.526 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 77.2 mt-30 -113.97 124.59 52.54 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.173 -176.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.517 HD13 HG21 ' A' ' 47' ' ' VAL . 10.9 pt -110.0 -179.79 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.903 0.382 . . . . 0.0 110.319 175.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -85.11 137.57 32.95 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.056 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 28' ' ' GLY . 0.8 OUTLIER -57.16 -35.49 69.6 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 123.12 0.263 . . . . 0.0 111.497 177.65 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.52 -19.28 62.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.06 0.457 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.661 ' HA ' ' HB2' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -86.09 -11.89 51.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.538 178.584 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.559 HG22 HG21 ' A' ' 30' ' ' VAL . 15.6 t -82.17 116.56 26.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 175.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.1 t -105.94 -72.4 0.72 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.665 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.599 ' HB2' ' HB2' ' A' ' 8' ' ' ALA . 15.6 mm100 -124.88 110.71 14.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.122 0.487 . . . . 0.0 111.913 -175.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.484 HD13 ' HG3' ' A' ' 7' ' ' MET . 49.9 mm . . . . . 0 C--N 1.322 -0.607 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 171.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 120.969 0.414 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 59.1 ttp -121.29 105.11 10.24 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.75 ' HB2' ' HG3' ' A' ' 49' ' ' GLN . . . -93.86 119.79 33.26 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.415 ' HB ' ' OD2' ' A' ' 46' ' ' ASP . 43.0 p -86.12 172.46 10.56 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.355 -175.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.637 ' HB3' ' HZ3' ' A' ' 10' ' ' LYS . 6.7 ttpm? -62.95 -25.99 68.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.835 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -54.78 -31.66 59.12 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.853 175.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.44 16.61 24.26 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.205 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -105.72 144.14 32.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.756 0.313 . . . . 0.0 110.618 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -97.84 104.1 16.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.059 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.4 mt -95.46 115.13 33.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.36 96.52 1.89 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.4 p -102.76 163.28 12.31 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.876 -174.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.5 157.77 25.81 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 169.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.6 72.45 2.83 Favored Glycine 0 CA--C 1.506 -0.47 0 C-N-CA 119.762 -1.208 . . . . 0.0 110.893 -177.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.609 ' H ' ' HD3' ' A' ' 21' ' ' PRO . 4.4 tmtt? 170.31 52.29 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.492 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -155.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.609 ' HD3' ' H ' ' A' ' 20' ' ' LYS . 6.2 Cg_exo -73.81 110.55 3.1 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.696 1.597 . . . . 0.0 110.545 173.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.402 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 4.5 tp10 -76.14 100.83 5.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.738 -176.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.466 HG12 HG23 ' A' ' 30' ' ' VAL . 50.3 mt -94.28 106.92 18.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.721 -175.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -83.09 107.45 15.67 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 174.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -73.52 -11.51 60.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.313 0.577 . . . . 0.0 110.836 -172.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -79.5 -58.16 3.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.971 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.457 ' HB ' HD11 ' A' ' 29' ' ' LEU . 36.7 p -82.9 -28.78 29.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.007 0.432 . . . . 0.0 110.857 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.12 15.09 55.0 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.976 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.457 HD11 ' HB ' ' A' ' 27' ' ' THR . 11.1 mp -95.0 144.49 25.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.336 0.589 . . . . 0.0 111.541 -178.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.466 HG23 HG12 ' A' ' 23' ' ' ILE . 90.0 t -114.81 108.7 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.91 177.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 40' ' ' MET . 7.5 m -87.7 115.97 25.52 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.836 177.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.512 ' CE1' HG21 ' A' ' 42' ' ' ILE . 27.8 p90 -116.54 141.27 48.4 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.951 0.405 . . . . 0.0 110.596 -177.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.632 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 15.7 t-80 -94.42 117.68 30.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.531 178.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.572 ' OD2' ' HE1' ' A' ' 40' ' ' MET . 56.3 m-20 -66.62 163.24 19.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.16 176.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -70.66 -16.22 62.79 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 166.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.517 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 10.1 tt0 -76.08 -12.52 60.13 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.157 -1.383 . . . . 0.0 110.462 178.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.454 ' HA2' ' NE2' ' A' ' 33' ' ' HIS . . . 85.28 37.05 10.13 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.687 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.632 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 92.8 m-20 -119.7 150.52 40.23 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.64 96.61 6.38 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 170.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.572 ' HE1' ' OD2' ' A' ' 34' ' ' ASP . 62.7 mtm -104.5 160.34 15.01 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.17 131.34 53.64 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.236 -175.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.521 HD12 HG21 ' A' ' 47' ' ' VAL . 15.0 pt -114.33 -179.08 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 167.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -99.34 151.27 21.25 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.598 174.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' HA ' HG23 ' A' ' 47' ' ' VAL . 50.3 ttp180 -63.22 -23.77 67.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.71 -18.67 60.6 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.802 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.543 ' OD1' ' HB3' ' A' ' 10' ' ' LYS . 14.6 t70 -111.71 -0.14 16.1 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.504 -176.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.521 HG21 HD12 ' A' ' 42' ' ' ILE . 8.3 t -78.59 103.94 6.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 176.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.0 t -92.58 -64.7 1.07 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.749 0.309 . . . . 0.0 111.301 -174.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.75 ' HG3' ' HB2' ' A' ' 8' ' ' ALA . 12.2 pt20 -138.84 126.38 21.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.193 0.52 . . . . 0.0 111.04 -177.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.3 tt . . . . . 0 C--N 1.321 -0.645 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.382 -178.58 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 112.008 0.374 . . . . 0.0 112.008 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.0 ttp -132.45 111.2 11.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.134 0.493 . . . . 0.0 111.25 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.777 ' HB2' ' HB3' ' A' ' 49' ' ' GLN . . . -87.13 139.3 30.71 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 172.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.521 ' OG1' ' HG2' ' A' ' 13' ' ' ARG . 19.0 p -114.11 164.07 14.34 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -175.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -56.14 -39.13 71.79 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.319 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -55.64 -32.52 63.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.224 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.65 56.21 0.87 Allowed Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.803 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.521 ' HG2' ' OG1' ' A' ' 9' ' ' THR . 4.6 ptm180 -150.6 134.37 16.64 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.8 ttm -91.54 110.91 22.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.109 -178.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.6 mt -94.78 120.37 44.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.49 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.492 HD13 ' HB3' ' A' ' 35' ' ' GLN . 0.3 OUTLIER -74.81 104.79 5.58 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.525 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.1 p -97.24 143.23 28.23 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.992 -174.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.624 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 3.1 t70 -62.44 -43.47 98.73 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 168.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.83 -176.42 23.17 Favored Glycine 0 CA--C 1.497 -1.092 0 N-CA-C 109.579 -1.409 . . . . 0.0 109.579 171.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 71.63 78.44 0.21 Allowed Pre-proline 0 N--CA 1.455 -0.195 0 C-N-CA 118.559 -1.257 . . . . 0.0 112.666 164.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -80.94 93.56 1.01 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 121.942 1.762 . . . . 0.0 111.112 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -79.64 87.96 5.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.544 0.688 . . . . 0.0 109.608 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.508 HG12 HG21 ' A' ' 30' ' ' VAL . 30.3 mt -80.7 103.27 7.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.864 -175.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -74.89 97.15 3.26 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 176.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -77.57 2.93 14.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.601 -170.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -69.03 -32.03 71.25 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 174.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.8 t -118.88 -26.54 6.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.717 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.1 27.98 11.51 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.858 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.1 mt -106.41 149.98 26.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.932 0.396 . . . . 0.0 110.116 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.508 HG21 HG12 ' A' ' 23' ' ' ILE . 49.0 t -103.57 105.16 17.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.495 -177.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 m -83.55 95.91 8.46 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.303 0.573 . . . . 0.0 109.729 176.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.549 ' OH ' ' HE1' ' A' ' 40' ' ' MET . 16.9 p90 -102.2 175.75 5.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.838 -177.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.624 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 8.9 m170 -119.55 129.35 54.62 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -69.73 163.53 25.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.393 177.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.492 ' HB3' HD13 ' A' ' 16' ' ' LEU . 30.1 pt20 -68.72 -19.77 64.37 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 163.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -72.84 -27.19 61.79 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.346 -1.297 . . . . 0.0 110.118 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.07 20.81 9.42 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.526 -0.845 . . . . 0.0 114.07 174.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.429 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 3.3 m-80 -108.95 160.01 16.36 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 117.535 0.667 . . . . 0.0 109.969 176.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' A' ' 32' ' ' TYR . . . -107.43 105.43 15.35 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 173.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.549 ' HE1' ' OH ' ' A' ' 32' ' ' TYR . 64.6 mtm -112.7 159.89 18.46 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.132 -178.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 38.1 mt-30 -115.92 117.26 29.67 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.041 -175.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.511 HD13 HG22 ' A' ' 47' ' ' VAL . 5.9 pt -104.35 -179.66 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 172.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.463 ' ND2' ' HB3' ' A' ' 45' ' ' ASP . 53.4 t30 -89.03 142.05 27.97 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.416 ' HA ' HG21 ' A' ' 47' ' ' VAL . 55.2 ttp180 -68.3 -32.19 72.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.895 0.379 . . . . 0.0 110.691 -178.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.463 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 19.6 t70 -70.78 -20.37 62.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.507 0.67 . . . . 0.0 110.24 175.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.27 -3.28 59.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.288 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.511 HG22 HD13 ' A' ' 42' ' ' ILE . 12.5 t -80.24 103.5 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.7 t -92.57 -33.26 14.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -175.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.777 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 1.4 tm0? -152.06 149.6 29.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.738 0.304 . . . . 0.0 110.314 178.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.1 tt . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.427 174.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.24 0.543 . . . . 0.0 111.692 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 50.1 ttp -75.53 102.07 5.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.058 174.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.05 120.22 18.37 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.1 p -105.31 172.78 6.61 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.938 0.399 . . . . 0.0 111.924 -173.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -53.54 -38.49 63.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.842 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -66.91 -17.95 65.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.055 -177.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.65 1.37 63.88 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.164 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 ptm85 -96.3 142.1 28.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.945 0.402 . . . . 0.0 110.928 -178.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -93.49 111.78 23.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.364 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.1 mt -91.52 127.34 43.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 175.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.52 111.28 4.62 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -175.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.44 ' HB ' ' HA ' ' A' ' 20' ' ' LYS . 1.4 p -124.26 78.75 1.68 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -170.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -93.24 121.61 34.78 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 163.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.446 ' HA3' ' HB2' ' A' ' 33' ' ' HIS . . . 116.42 -60.85 0.42 Allowed Glycine 0 CA--C 1.502 -0.731 0 N-CA-C 108.184 -1.967 . . . . 0.0 108.184 -162.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.526 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER 77.13 132.76 0.04 OUTLIER Pre-proline 0 CA--C 1.537 0.466 0 N-CA-C 116.868 2.173 . . . . 0.0 116.868 140.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.526 ' HD2' ' HG2' ' A' ' 20' ' ' LYS . 74.2 Cg_exo -45.3 130.32 11.17 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 124.826 3.684 . . . . 0.0 115.456 -174.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.46 ' HB3' ' OG ' ' A' ' 31' ' ' SER . 10.7 tt0 -117.0 112.39 20.89 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 169.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.9 mt -70.81 108.23 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.122 0.487 . . . . 0.0 110.899 -176.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -82.15 88.06 6.48 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 176.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -80.31 -14.03 58.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.225 -161.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -93.04 -2.48 55.61 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.629 0.728 . . . . 0.0 109.623 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.26 -35.54 3.42 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.163 -173.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.46 12.56 44.37 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.567 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.1 mp -118.14 172.45 7.42 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 -179.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 21' ' ' PRO . 61.5 t -136.75 116.34 16.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.46 ' OG ' ' HB3' ' A' ' 22' ' ' GLU . 7.0 p -82.92 106.91 15.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.842 0.353 . . . . 0.0 111.021 -178.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -113.14 154.87 25.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.022 0.439 . . . . 0.0 109.898 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.463 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 48.9 m170 -114.89 127.54 55.76 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.812 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.88 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -66.06 174.21 2.65 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.772 0.796 . . . . 0.0 112.92 -178.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -69.67 -9.29 53.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.268 -1.333 . . . . 0.0 110.36 175.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.415 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 27.5 mm-40 -114.87 20.95 14.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.419 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.39 40.47 94.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.825 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.88 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 78.0 m-20 -97.22 117.47 31.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 178.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.86 103.41 15.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.798 0.332 . . . . 0.0 110.93 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 78.9 mtm -131.09 154.49 48.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.764 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -113.22 124.4 52.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.867 0.365 . . . . 0.0 110.807 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.778 HD11 ' HB ' ' A' ' 47' ' ' VAL . 9.0 pt -100.06 -179.0 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.482 175.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -87.88 151.33 22.92 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.667 0.27 . . . . 0.0 110.525 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.2 ttt-85 -63.01 -24.25 67.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.173 0.511 . . . . 0.0 110.313 177.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -86.96 -18.94 29.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.158 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -79.85 -30.46 40.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.815 0.34 . . . . 0.0 110.821 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.778 ' HB ' HD11 ' A' ' 42' ' ' ILE . 9.5 p -85.22 139.35 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.276 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.8 t -108.73 -58.69 1.98 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.678 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -150.35 137.92 19.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.652 0.263 . . . . 0.0 110.518 -178.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.48 HG21 ' HG2' ' A' ' 21' ' ' PRO . 20.6 pt . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.009 176.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.7 t . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.7 ttp -119.42 116.32 25.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.193 0.521 . . . . 0.0 111.172 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.75 131.93 35.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.167 174.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.0 p -104.07 167.26 9.88 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.497 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 30.7 ttpt -55.19 -40.64 70.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.542 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -66.82 -27.8 67.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.845 -176.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.65 18.01 11.39 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.367 -0.921 . . . . 0.0 112.703 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -103.97 138.87 39.9 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 176.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 91.8 mmm -94.97 116.98 29.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.823 -174.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.6 mt -102.38 121.06 52.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.273 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -81.39 125.28 30.21 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 33' ' ' HIS . 12.5 p -117.97 143.7 46.15 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.454 0.645 . . . . 0.0 112.051 -173.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 29.5 t70 -75.62 -9.29 58.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 122.117 0.96 . . . . 0.0 108.525 171.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.48 179.73 18.75 Favored Glycine 0 CA--C 1.503 -0.667 0 CA-C-N 114.31 -1.313 . . . . 0.0 110.804 171.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 8.6 mtpm? 72.63 78.45 0.2 Allowed Pre-proline 0 C--N 1.342 0.279 0 C-N-CA 119.167 -1.013 . . . . 0.0 113.102 166.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -86.17 98.07 0.56 Allowed 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 122.459 2.106 . . . . 0.0 111.84 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 67.2 mm-40 -81.92 90.78 6.48 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.211 0.529 . . . . 0.0 110.719 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.556 HG12 HG23 ' A' ' 30' ' ' VAL . 18.1 mt -85.0 119.59 34.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.153 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.424 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 2.1 p30 -77.59 165.48 24.24 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -115.68 12.11 15.92 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.259 0.552 . . . . 0.0 110.679 177.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -75.1 -50.33 16.72 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 173.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.641 HG21 ' HG ' ' A' ' 29' ' ' LEU . 5.0 t -130.22 -26.81 2.3 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.377 177.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 24' ' ' ASP . . . 101.0 35.09 4.36 Favored Glycine 0 N--CA 1.441 -0.982 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.307 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.641 ' HG ' HG21 ' A' ' 27' ' ' THR . 64.0 mt -84.26 134.59 34.52 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.355 0.598 . . . . 0.0 110.232 176.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.556 HG23 HG12 ' A' ' 23' ' ' ILE . 44.5 t -91.61 102.69 13.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.32 -178.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.531 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . 12.0 m -84.09 103.94 13.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.066 0.46 . . . . 0.0 109.768 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.537 ' CE1' HG23 ' A' ' 42' ' ' ILE . 49.8 p90 -109.78 171.83 7.21 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.57 -175.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.444 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 34.0 m80 -109.54 115.32 29.69 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 173.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.683 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -66.48 164.35 16.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.653 0.263 . . . . 0.0 111.147 176.804 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -59.74 -30.82 69.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.491 0.662 . . . . 0.0 109.701 173.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.1 -3.3 38.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.162 -178.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.11 30.14 32.08 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.941 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.683 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 74.9 m-20 -97.08 140.77 31.1 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -179.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.64 92.4 4.09 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 176.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.508 ' HE2' ' OD2' ' A' ' 34' ' ' ASP . 21.0 mtm -121.21 169.32 10.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.368 -172.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.508 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . 22.9 mt-30 -125.06 123.3 39.49 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.465 0.172 . . . . 0.0 111.465 -172.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.537 HG23 ' CE1' ' A' ' 32' ' ' TYR . 5.9 pt -105.33 -179.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 170.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.12 144.31 25.6 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 121.218 -0.193 . . . . 0.0 111.001 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 44' ' ' ARG . 14.2 ptt85 -61.05 -31.98 71.62 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.595 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -75.98 -12.48 60.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.503 0.668 . . . . 0.0 110.181 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.497 ' HA ' ' HB2' ' A' ' 10' ' ' LYS . 1.1 m-20 -100.91 2.14 40.56 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.515 -175.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.476 HG21 HD12 ' A' ' 42' ' ' ILE . 12.6 t -82.43 108.49 15.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.0 t -93.08 -63.66 1.19 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.203 -174.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -147.81 144.5 28.23 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 59.1 mt . . . . . 0 C--N 1.326 -0.45 0 CA-C-O 120.834 0.35 . . . . 0.0 110.534 178.583 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.449 -0.493 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -129.84 129.32 43.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.898 0.38 . . . . 0.0 110.075 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.41 117.13 29.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.718 -176.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.3 p -90.65 169.23 11.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.057 0.456 . . . . 0.0 111.373 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -77.59 -23.38 49.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.528 175.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.38 -40.79 98.19 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.834 176.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.59 -18.41 7.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.639 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -70.53 137.17 49.94 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 120.999 0.428 . . . . 0.0 110.489 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 92.0 mmm -101.02 95.13 6.37 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 177.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.1 mt -77.89 115.4 19.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.967 0.413 . . . . 0.0 110.927 -174.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.536 ' H ' HD23 ' A' ' 16' ' ' LEU . 2.1 mm? -71.9 121.15 18.55 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 176.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.441 HG22 ' CD2' ' A' ' 32' ' ' TYR . 16.8 p -117.37 151.52 36.86 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.857 0.36 . . . . 0.0 111.381 -175.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -75.67 -32.05 60.01 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 167.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.64 -166.19 26.6 Favored Glycine 0 CA--C 1.502 -0.761 0 CA-C-N 113.829 -1.532 . . . . 0.0 109.809 171.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 25.8 mmmt 72.95 79.7 0.18 Allowed Pre-proline 0 N--CA 1.455 -0.176 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 161.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -93.93 93.72 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 122.702 2.268 . . . . 0.0 111.735 173.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -86.44 99.1 11.41 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.555 HG12 HG23 ' A' ' 30' ' ' VAL . 53.5 mt -85.47 125.01 40.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.557 -172.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -98.83 107.2 19.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.506 173.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -72.85 -23.56 60.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.883 -171.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -63.2 -40.13 96.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.943 0.401 . . . . 0.0 111.016 -176.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 t -103.92 -29.25 11.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.717 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.03 39.03 6.22 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.515 -177.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.519 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 63.2 mt -119.25 149.69 41.34 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.555 HG23 HG12 ' A' ' 23' ' ' ILE . 98.0 t -112.28 114.52 47.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.833 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.51 ' HA ' ' O ' ' A' ' 40' ' ' MET . 19.1 m -85.29 101.13 12.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.159 177.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.52 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 26.9 p90 -107.15 162.12 14.16 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.174 -178.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -102.9 115.61 30.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.219 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.413 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -66.81 175.52 2.4 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -57.83 -29.14 64.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.099 -1.41 . . . . 0.0 110.554 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -90.51 -2.5 57.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.579 -177.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.99 17.34 59.61 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.033 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.413 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 94.1 m-20 -81.16 132.67 35.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.63 0.253 . . . . 0.0 111.018 -178.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.93 104.35 15.98 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.428 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.51 ' O ' ' HA ' ' A' ' 31' ' ' SER . 23.0 ptp -131.72 164.02 26.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.292 -179.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.519 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . 42.0 mt-30 -111.92 124.58 52.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.126 -175.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.537 HD11 HG21 ' A' ' 47' ' ' VAL . 6.3 pt -104.18 176.23 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 170.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -83.54 135.66 34.55 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.552 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.9 ttp85 -61.18 -33.13 72.94 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.065 0.459 . . . . 0.0 110.276 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -63.07 -27.26 69.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.935 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -83.86 -21.2 32.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.537 HG21 HD11 ' A' ' 42' ' ' ILE . 15.7 t -69.78 111.92 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.162 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.8 t -99.63 -64.29 1.05 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.409 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -142.98 179.21 7.17 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 41.0 mm . . . . . 0 C--N 1.325 -0.491 0 CA-C-O 121.074 0.464 . . . . 0.0 109.841 177.034 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 C--O 1.237 0.437 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.51 ' HG2' HG12 ' A' ' 50' ' ' ILE . 14.6 tmm? -108.39 110.37 21.9 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.108 0.48 . . . . 0.0 109.908 -178.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.814 ' HB1' ' HB3' ' A' ' 49' ' ' GLN . . . -91.69 129.18 37.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.26 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.0 p -93.05 -179.97 5.26 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.691 0.757 . . . . 0.0 112.216 -174.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 46' ' ' ASP . 34.6 ttpt -55.04 -43.34 73.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.231 -1.35 . . . . 0.0 111.691 177.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.535 ' HB2' ' HG2' ' A' ' 13' ' ' ARG . 7.3 m-20 -63.74 -30.56 71.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.883 -176.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.38 -11.54 28.47 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.31 -175.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.535 ' HG2' ' HB2' ' A' ' 11' ' ' ASP . 20.5 ptt180 -71.27 132.26 44.66 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 176.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 87.3 mtp -98.4 117.4 32.74 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.454 -176.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.9 mt -97.68 126.76 50.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.459 -177.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.32 115.34 14.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.523 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 p -129.84 155.52 45.86 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.562 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -84.54 140.42 31.44 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 161.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.62 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -61.12 156.55 33.36 Favored Glycine 0 CA--C 1.499 -0.919 0 CA-C-O 118.69 -1.061 . . . . 0.0 113.235 -158.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.62 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 48.3 mtmt 92.83 76.69 0.03 OUTLIER Pre-proline 0 C--N 1.351 0.634 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 172.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -76.25 130.89 12.4 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 122.332 2.021 . . . . 0.0 111.271 173.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.34 107.41 18.81 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 59.8 mt -87.27 127.31 40.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.109 0.481 . . . . 0.0 111.078 -174.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.457 ' OD1' HG21 ' A' ' 27' ' ' THR . 10.2 t70 -93.81 113.5 25.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.672 177.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -87.52 6.5 33.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.949 -175.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -95.12 -52.81 4.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.848 0.356 . . . . 0.0 110.182 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.669 HG23 ' HG ' ' A' ' 29' ' ' LEU . 7.8 t -98.06 -18.05 18.77 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.979 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.41 33.43 13.92 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.377 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.669 ' HG ' HG23 ' A' ' 27' ' ' THR . 49.5 mt -106.5 162.57 13.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.814 0.34 . . . . 0.0 110.536 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.0 t -123.27 112.33 33.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.97 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 40' ' ' MET . 10.9 m -84.18 100.73 11.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.217 0.532 . . . . 0.0 110.586 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -97.54 177.59 5.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.513 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -124.72 132.73 53.36 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.957 0.408 . . . . 0.0 111.893 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.609 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -67.5 151.82 46.71 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.231 168.387 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -74.76 -7.92 54.84 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 170.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -83.27 -11.27 57.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.152 -1.386 . . . . 0.0 110.164 175.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.22 31.86 8.19 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.635 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.609 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 82.4 m-20 -113.58 128.25 56.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.91 0.386 . . . . 0.0 111.788 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.86 121.47 32.01 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 174.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.419 ' O ' ' HA ' ' A' ' 31' ' ' SER . 72.2 mtm -135.88 157.71 46.19 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -178.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -119.23 125.52 49.35 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.259 -175.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.504 HD12 ' HB2' ' A' ' 46' ' ' ASP . 4.8 pt -105.39 -179.45 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 169.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.424 ' HB2' ' OD2' ' A' ' 46' ' ' ASP . 62.1 m-80 -81.17 144.92 31.29 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.332 176.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -71.42 -11.16 60.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 122.059 0.933 . . . . 0.0 108.592 172.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -74.2 -21.1 59.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.238 -1.346 . . . . 0.0 110.061 172.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.504 ' HB2' HD12 ' A' ' 42' ' ' ILE . 68.9 m-20 -102.19 -12.83 17.74 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -173.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.452 HG13 HD13 ' A' ' 42' ' ' ILE . 12.7 m -79.2 158.68 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.159 175.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.2 t -152.56 -62.41 0.16 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.664 0.268 . . . . 0.0 111.656 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.814 ' HB3' ' HB1' ' A' ' 8' ' ' ALA . 27.6 tt0 -118.65 100.21 7.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.097 0.475 . . . . 0.0 110.963 -172.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.51 HG12 ' HG2' ' A' ' 7' ' ' MET . 66.2 mt . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.886 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.4 p . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 120.838 0.351 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.9 ttp -124.79 115.75 21.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.449 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.44 119.54 31.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.817 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.2 p -97.78 -179.1 4.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.191 0.519 . . . . 0.0 111.834 -176.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -44.94 -41.43 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.789 -1.096 . . . . 0.0 111.745 176.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.551 ' HB2' ' HG2' ' A' ' 13' ' ' ARG . 1.5 m-20 -65.1 -21.27 66.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.331 -174.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.03 0.36 71.45 Favored Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -174.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.551 ' HG2' ' HB2' ' A' ' 11' ' ' ASP . 33.0 ptt180 -82.8 143.18 31.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.86 0.362 . . . . 0.0 110.334 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 63.4 mtt -98.06 104.2 16.22 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.002 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 67.0 mt -84.22 126.33 40.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.256 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.401 HD22 ' N ' ' A' ' 16' ' ' LEU . 3.1 mm? -77.45 122.28 24.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.936 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.478 HG22 ' CD2' ' A' ' 32' ' ' TYR . 56.2 p -123.0 158.61 30.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.392 -176.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.43 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 28.9 t70 -74.45 -11.58 60.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 122.304 1.05 . . . . 0.0 108.602 171.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.47 165.77 20.14 Favored Glycine 0 CA--C 1.499 -0.942 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.758 172.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt 72.71 78.46 0.2 Allowed Pre-proline 0 C--N 1.343 0.317 0 C-N-CA 118.647 -1.221 . . . . 0.0 111.981 166.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -81.64 119.69 3.38 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.341 2.027 . . . . 0.0 112.3 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -83.2 99.07 9.71 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mt -83.69 108.39 16.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.679 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.46 ' HB3' HG21 ' A' ' 27' ' ' THR . 2.5 m-20 -68.92 113.25 6.16 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -73.72 -27.42 61.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.573 -168.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -84.97 -52.51 5.93 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.439 -175.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.46 HG21 ' HB3' ' A' ' 24' ' ' ASP . 7.7 t -82.88 -29.41 29.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.725 0.298 . . . . 0.0 111.346 -176.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.02 24.15 30.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.688 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.459 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 60.5 mt -101.33 140.31 35.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.519 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 46.4 t -100.8 100.34 10.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 120.868 0.365 . . . . 0.0 110.317 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.9 m -85.82 109.56 18.76 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.156 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.565 ' OH ' ' HE1' ' A' ' 40' ' ' MET . 32.4 p90 -120.07 161.23 21.32 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.031 0.443 . . . . 0.0 111.128 -176.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.43 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 32.5 m170 -92.17 124.17 36.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.975 177.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.741 ' HB2' ' H ' ' A' ' 38' ' ' ASN . 8.8 m-20 -64.79 162.19 16.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.167 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -17.69 60.97 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 169.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -83.4 -13.3 55.19 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.982 176.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.01 29.81 8.31 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.094 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.741 ' H ' ' HB2' ' A' ' 34' ' ' ASP . 18.1 m-80 -108.6 -179.62 3.92 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 176.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -136.09 107.3 6.79 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.312 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.565 ' HE1' ' OH ' ' A' ' 32' ' ' TYR . 19.1 ptt? -135.3 169.51 17.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.758 0.313 . . . . 0.0 110.972 -179.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.519 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 20.0 mp0 -111.17 148.18 33.33 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -170.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.635 HD12 ' HB ' ' A' ' 47' ' ' VAL . 11.1 pt -120.97 -178.91 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 166.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -86.78 143.88 27.31 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -66.11 -25.56 67.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.048 0.451 . . . . 0.0 109.845 176.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.21 -28.32 61.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.065 0.46 . . . . 0.0 110.858 175.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -84.41 -20.27 32.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.797 -174.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.635 ' HB ' HD12 ' A' ' 42' ' ' ILE . 12.1 p -83.04 140.97 15.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 176.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.5 t -128.71 -73.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.812 -173.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -111.45 113.34 25.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.298 0.571 . . . . 0.0 112.01 -175.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.494 HD12 HG22 ' A' ' 47' ' ' VAL . 60.7 mt . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.69 173.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 m . . . . . 0 N--CA 1.472 0.649 0 CA-C-O 121.631 0.729 . . . . 0.0 112.125 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -69.58 108.0 3.65 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.612 -175.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.25 126.81 33.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.486 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.62 ' OG1' ' HG3' ' A' ' 13' ' ' ARG . 27.6 p -95.39 166.47 11.86 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.064 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.4 ' HE2' ' HA ' ' A' ' 46' ' ' ASP . 36.6 ttpt -58.23 -31.38 67.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.899 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.47 -35.96 76.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.464 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.41 -10.04 11.69 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.069 -178.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.62 ' HG3' ' OG1' ' A' ' 9' ' ' THR . 5.7 ptt85 -73.76 124.5 26.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.194 0.521 . . . . 0.0 110.546 177.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.8 mmt -89.11 119.58 29.74 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.451 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.8 mt -105.56 124.51 60.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.856 0.36 . . . . 0.0 111.499 -176.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.48 116.22 9.65 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 174.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.499 HG21 ' CD2' ' A' ' 32' ' ' TYR . 12.7 p -130.0 150.56 51.22 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -169.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.736 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 21.6 t70 -63.77 156.03 28.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.919 167.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -78.95 73.03 2.37 Favored Glycine 0 N--CA 1.466 0.641 0 C-N-CA 119.848 -1.168 . . . . 0.0 112.444 -169.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 19.8 tttt 162.52 85.98 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.289 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -158.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -91.9 98.31 0.2 Allowed 'Trans proline' 0 N--CA 1.448 -1.15 0 C-N-CA 122.633 2.222 . . . . 0.0 110.655 169.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -80.09 95.44 6.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.406 0.622 . . . . 0.0 109.709 -173.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.457 HG12 HG23 ' A' ' 30' ' ' VAL . 39.5 mt -80.42 120.34 31.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.927 -175.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -104.59 93.37 4.73 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 174.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -75.42 -17.39 60.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.792 -172.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -55.18 -46.45 75.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.277 176.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 t -94.05 -29.22 15.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.201 175.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.47 32.67 6.84 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.676 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.6 mt -119.25 158.05 26.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.943 0.401 . . . . 0.0 110.476 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.495 HG21 HG23 ' A' ' 47' ' ' VAL . 87.8 t -118.82 110.19 29.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 175.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.1 m -88.34 105.41 17.55 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.264 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.512 ' CZ ' ' HG3' ' A' ' 40' ' ' MET . 42.7 p90 -113.03 175.35 5.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.777 0.322 . . . . 0.0 110.167 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.736 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 30.1 m80 -116.9 128.37 55.16 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 174.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.04 167.4 6.42 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.284 0.365 . . . . 0.0 111.275 176.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -62.61 -23.6 67.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.351 0.596 . . . . 0.0 109.634 171.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.423 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 63.2 mt-30 -73.85 -28.0 61.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.976 176.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.54 7.15 30.34 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.965 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.552 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 42.3 m-80 -76.84 148.89 36.27 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.997 0.398 . . . . 0.0 110.529 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.07 114.91 28.58 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 174.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 2.7 ptm -146.01 145.91 30.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.984 0.421 . . . . 0.0 111.18 -172.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -105.04 145.74 30.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.569 -173.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.508 HD12 HG22 ' A' ' 47' ' ' VAL . 11.9 pt -122.8 -178.97 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 165.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -83.8 142.12 30.88 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.354 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.403 ' HA ' HG22 ' A' ' 30' ' ' VAL . 4.7 tmm_? -65.03 -28.06 69.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.18 -178.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -87.08 -3.98 59.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.272 0.558 . . . . 0.0 110.619 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.4 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 25.7 t70 -93.27 -3.82 52.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.094 -178.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.508 HG22 HD12 ' A' ' 42' ' ' ILE . 2.8 t -86.19 150.34 3.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.158 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.4 t -126.92 -61.53 1.17 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.88 -0.146 . . . . 0.0 111.123 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.85 146.88 49.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 -176.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.2 mt . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.475 179.087 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.2 t . . . . . 0 C--O 1.234 0.251 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.569 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 43.7 ttm -98.27 115.42 28.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.609 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.55 108.86 21.65 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.5 p -86.63 -179.34 6.58 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.295 0.569 . . . . 0.0 112.121 -174.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -62.81 -40.61 97.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.189 176.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -58.8 -38.51 78.74 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.263 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.27 -4.0 28.29 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.752 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -68.96 134.71 49.89 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-O 121.223 0.535 . . . . 0.0 110.429 176.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.3 tpt -93.68 100.11 12.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.481 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.569 ' HB ' ' HB3' ' A' ' 7' ' ' MET . 60.9 mt -86.84 119.08 34.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 120.833 0.349 . . . . 0.0 110.308 -178.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.92 91.04 4.15 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.464 ' HA ' ' O ' ' A' ' 33' ' ' HIS . 6.0 p -87.25 134.53 33.53 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -178.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -56.26 -39.94 73.4 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 155.19 142.42 3.43 Favored Glycine 0 CA--C 1.504 -0.651 0 CA-C-N 114.491 -1.231 . . . . 0.0 111.313 161.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.9 tttt 79.49 95.42 0.04 OUTLIER Pre-proline 0 C--N 1.349 0.582 0 C-N-CA 118.767 -1.173 . . . . 0.0 112.325 166.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.6 126.85 10.5 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.67 2.247 . . . . 0.0 111.687 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 5.6 tp10 -85.64 97.95 10.4 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 176.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.421 HG22 HG23 ' A' ' 30' ' ' VAL . 45.2 mt -91.29 116.29 32.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 -173.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -89.46 101.42 14.1 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 171.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -72.84 -28.89 62.8 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.537 -167.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -67.39 -46.03 74.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.285 -177.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.551 HG22 ' HG ' ' A' ' 29' ' ' LEU . 8.1 t -94.23 -17.89 22.24 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.84 30.79 31.08 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.2 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.551 ' HG ' HG22 ' A' ' 27' ' ' THR . 61.6 mt -108.95 136.69 48.07 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.548 ' HB ' HG13 ' A' ' 42' ' ' ILE . 60.0 t -114.23 105.42 18.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 120.838 0.352 . . . . 0.0 110.43 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.538 ' HB3' ' HB3' ' A' ' 22' ' ' GLU . 21.4 t -84.44 101.68 12.21 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.482 0.658 . . . . 0.0 110.223 -179.187 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.633 ' CE1' HG23 ' A' ' 42' ' ' ILE . 4.6 p90 -97.35 172.73 7.59 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.866 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.464 ' O ' ' HA ' ' A' ' 17' ' ' THR . 37.2 m80 -129.51 114.28 15.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.015 -177.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.804 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -60.96 160.54 9.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.26 0.553 . . . . 0.0 112.127 176.645 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -61.12 -27.96 68.76 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.568 169.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -72.91 -19.42 61.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.585 176.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.83 18.77 19.39 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.835 -0.698 . . . . 0.0 111.909 -176.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.804 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 84.2 m-20 -81.57 115.15 20.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.486 0.184 . . . . 0.0 110.645 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.67 91.51 8.69 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 173.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.537 ' O ' ' HA ' ' A' ' 31' ' ' SER . 77.3 mtm -115.35 176.27 5.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.174 -175.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -131.87 121.84 24.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.989 0.424 . . . . 0.0 111.784 -174.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.636 HD11 ' HB ' ' A' ' 47' ' ' VAL . 17.7 pt -100.35 -178.84 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 171.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.416 HD21 ' HA ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -88.55 145.51 25.68 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.842 0.353 . . . . 0.0 110.567 175.259 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -64.32 -18.28 64.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.508 0.671 . . . . 0.0 109.91 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -88.11 -15.71 35.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.863 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.56 -32.11 15.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.978 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.636 ' HB ' HD11 ' A' ' 42' ' ' ILE . 14.8 p -70.76 144.62 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 176.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.0 t -137.21 -66.83 0.5 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.811 0.338 . . . . 0.0 111.21 -175.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.568 ' HA ' HE21 ' A' ' 49' ' ' GLN . 0.0 OUTLIER -114.6 118.65 34.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.134 0.493 . . . . 0.0 111.811 -174.731 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 43.0 mm . . . . . 0 C--N 1.317 -0.828 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 170.064 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.483 ' HB ' ' SD ' ' A' ' 14' ' ' MET . 14.1 m . . . . . 0 CA--C 1.517 -0.323 0 CA-C-O 120.996 0.426 . . . . 0.0 111.328 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 56.5 ttp -135.07 109.05 8.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.869 177.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.811 ' HB1' ' HB2' ' A' ' 49' ' ' GLN . . . -89.59 121.56 31.91 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.321 -0.4 . . . . 0.0 109.958 178.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.0 p -85.86 178.07 7.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.972 -178.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.439 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 34.7 ttpt -63.06 -22.08 66.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.727 -178.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -65.46 -34.07 77.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.761 174.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.42 -4.28 33.02 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.258 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.415 ' O ' ' HA ' ' A' ' 8' ' ' ALA . 17.3 ptp180 -76.93 133.4 39.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.825 0.345 . . . . 0.0 110.154 177.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.483 ' SD ' ' HB ' ' A' ' 6' ' ' VAL . 52.6 tpp -89.16 100.13 12.98 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 177.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.3 mt -81.33 122.09 35.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.877 -178.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.437 ' H ' HD23 ' A' ' 16' ' ' LEU . 2.0 mm? -75.38 107.71 7.68 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 p -110.91 142.58 42.8 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -169.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.934 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 15.9 t70 -71.86 126.69 30.38 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 159.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.633 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -59.4 159.33 20.57 Favored Glycine 0 CA--C 1.502 -0.775 0 CA-C-O 118.149 -1.362 . . . . 0.0 111.805 -166.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.633 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 60.6 mttp 91.61 76.98 0.04 OUTLIER Pre-proline 0 C--N 1.354 0.792 0 CA-C-N 117.975 0.887 . . . . 0.0 112.268 176.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -88.04 126.73 2.08 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 122.681 2.254 . . . . 0.0 111.949 176.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.58 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 10.6 mm-40 -85.34 105.74 16.22 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.425 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.0 mt -86.76 104.31 13.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.407 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -85.02 139.35 31.84 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.712 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -109.93 9.66 24.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.92 0.391 . . . . 0.0 111.346 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -86.12 -55.22 4.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.273 0.559 . . . . 0.0 110.291 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.767 HG21 ' HG ' ' A' ' 29' ' ' LEU . 5.0 t -112.12 -12.35 13.68 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.046 177.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.4 34.0 18.14 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.051 177.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.767 ' HG ' HG21 ' A' ' 27' ' ' THR . 55.8 mt -101.39 141.2 34.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.983 0.42 . . . . 0.0 110.812 178.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.2 t -106.46 106.9 21.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.729 176.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.58 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . 5.6 m -81.63 130.56 35.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.721 -177.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.428 ' CE1' HG22 ' A' ' 42' ' ' ILE . 31.2 p90 -140.75 165.17 28.24 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.934 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 20.2 m170 -110.25 133.92 52.76 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.33 170.71 15.83 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 174.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.31 -28.88 68.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.962 0.411 . . . . 0.0 110.636 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -66.01 -32.23 73.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.565 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.22 -5.92 21.57 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.689 -0.767 . . . . 0.0 113.009 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -76.83 150.74 36.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.968 0.413 . . . . 0.0 110.738 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.46 118.93 37.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.883 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.412 ' O ' ' HA ' ' A' ' 31' ' ' SER . 74.7 mtm -122.3 171.33 9.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.543 179.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.625 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . 49.0 mt-30 -137.16 116.96 13.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.887 -0.142 . . . . 0.0 110.897 -175.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.454 HD13 HG21 ' A' ' 47' ' ' VAL . 19.2 pt -91.61 -179.71 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.78 148.45 22.11 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.06 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -56.03 -40.0 72.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.126 177.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -75.42 0.05 18.32 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.532 -177.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.439 ' OD1' ' HB3' ' A' ' 10' ' ' LYS . 25.0 t70 -112.17 -0.57 15.52 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.094 0.473 . . . . 0.0 110.926 -174.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.454 HG21 HD13 ' A' ' 42' ' ' ILE . 6.4 t -81.6 109.49 15.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.9 t -109.01 -78.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -173.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.811 ' HB2' ' HB1' ' A' ' 8' ' ' ALA . 71.9 mm-40 -109.21 111.78 23.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.685 0.278 . . . . 0.0 111.242 -171.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.8 mt . . . . . 0 C--N 1.322 -0.607 0 CA-C-O 120.919 0.39 . . . . 0.0 110.062 175.648 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.615 HG21 HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.466 0.353 0 CA-C-O 121.37 0.605 . . . . 0.0 111.659 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 58.9 ttp -127.18 102.46 6.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.104 0.478 . . . . 0.0 110.339 177.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.76 ' HB1' ' HB2' ' A' ' 49' ' ' GLN . . . -72.71 135.02 45.29 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 174.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.467 HG21 ' O ' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -127.67 155.55 43.76 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 120.863 0.363 . . . . 0.0 111.252 -173.578 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.834 ' HE3' ' HA ' ' A' ' 46' ' ' ASP . 27.6 ttpp -60.52 -44.22 96.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.199 -175.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -76.76 29.55 0.13 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.963 0.411 . . . . 0.0 111.858 -173.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.437 ' H ' ' C ' ' A' ' 10' ' ' LYS . . . 70.5 68.59 1.59 Allowed Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 116.236 -0.438 . . . . 0.0 113.07 173.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.18 142.8 7.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.049 0.452 . . . . 0.0 110.802 176.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -111.65 87.82 2.65 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 170.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.5 mt -73.88 123.61 29.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.085 -171.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.615 HD12 HG21 ' A' ' 6' ' ' VAL . 4.1 mm? -68.47 109.72 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 174.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.8 p -131.25 157.04 44.31 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.31 -170.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 1.027 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 20.9 t70 -68.41 109.67 3.78 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 164.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.32 95.36 0.51 Allowed Glycine 0 N--CA 1.467 0.713 0 C-N-CA 121.027 -0.606 . . . . 0.0 113.2 -163.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 21' ' ' PRO . 7.5 mttp 157.86 65.62 0.0 OUTLIER Pre-proline 0 C--O 1.233 0.185 0 O-C-N 124.252 0.619 . . . . 0.0 112.154 -160.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 20' ' ' LYS . 6.4 Cg_endo -86.92 154.92 8.56 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.668 2.245 . . . . 0.0 111.549 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.08 110.93 18.23 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.071 0.462 . . . . 0.0 110.364 178.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.52 HG12 HG21 ' A' ' 30' ' ' VAL . 46.1 mt -88.41 100.61 10.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.132 177.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -70.12 125.16 25.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.004 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -73.69 -28.95 62.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.58 -169.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -72.42 -55.05 7.68 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.484 -175.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.6 t -84.94 -23.32 28.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.58 0.228 . . . . 0.0 111.377 -178.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.19 40.97 27.81 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.723 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 23' ' ' ILE . 79.1 mt -115.44 152.39 32.99 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.672 0.272 . . . . 0.0 110.459 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.52 HG21 HG12 ' A' ' 23' ' ' ILE . 47.8 t -106.23 102.06 13.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.052 178.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.595 ' HA ' ' O ' ' A' ' 40' ' ' MET . 15.9 m -87.23 106.84 18.18 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.631 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.429 ' CE1' ' HB2' ' A' ' 40' ' ' MET . 32.6 p90 -109.51 167.72 9.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.799 0.333 . . . . 0.0 110.702 -179.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 1.027 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 27.4 m170 -105.82 134.84 48.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.24 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.434 ' HB2' ' H ' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -64.28 158.67 22.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.377 178.15 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -62.94 -28.54 70.14 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 169.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -76.34 -23.28 54.2 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.86 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.62 21.72 7.4 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.897 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.434 ' H ' ' HB2' ' A' ' 34' ' ' ASP . 18.0 m-80 -96.76 -172.61 2.52 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -140.14 128.7 22.9 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.485 -0.191 . . . . 0.0 110.485 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.595 ' O ' ' HA ' ' A' ' 31' ' ' SER . 39.9 mtt -122.24 159.58 27.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.373 178.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.406 ' HG2' ' OG ' ' A' ' 31' ' ' SER . 49.0 mt-30 -116.51 108.19 15.69 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 176.198 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.536 HD11 ' HB ' ' A' ' 47' ' ' VAL . 6.9 pt -101.15 -179.96 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.847 0.356 . . . . 0.0 110.499 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -78.75 141.33 37.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.5 ' O ' HG13 ' A' ' 47' ' ' VAL . 35.3 ttp180 -58.91 -40.95 86.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.064 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.92 -19.25 60.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.642 -177.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.834 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 37.2 t70 -84.77 -32.79 23.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.443 -174.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.536 ' HB ' HD11 ' A' ' 42' ' ' ILE . 11.1 p -65.48 143.15 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 176.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.1 t -118.97 -68.52 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.581 -174.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.76 ' HB2' ' HB1' ' A' ' 8' ' ' ALA . 53.8 mt-30 -130.02 149.24 51.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 111.333 -176.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.0 mm . . . . . 0 C--N 1.324 -0.514 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 172.461 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 83.4 t . . . . . 0 N--CA 1.468 0.431 0 CA-C-O 121.521 0.677 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.425 ' HE1' HD13 ' A' ' 15' ' ' ILE . 57.3 ttp -122.16 109.88 15.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.444 -179.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.03 125.48 34.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.945 176.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 p -119.25 -177.49 3.36 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -173.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -28.12 -59.81 0.11 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.148 1.379 . . . . 0.0 114.336 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.561 ' HB2' ' HD2' ' A' ' 13' ' ' ARG . 31.1 m-20 -76.24 5.84 6.35 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -170.203 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.29 29.4 70.27 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -175.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.561 ' HD2' ' HB2' ' A' ' 11' ' ' ASP . 10.8 ptm180 -96.34 129.72 43.61 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -177.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 86.4 mmm -87.31 95.7 10.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.831 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.425 HD13 ' HE1' ' A' ' 7' ' ' MET . 59.0 mt -79.91 111.33 16.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.918 0.39 . . . . 0.0 110.105 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.8 mt -77.6 94.76 4.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.471 0.653 . . . . 0.0 110.508 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.4 p -97.29 160.25 14.44 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.602 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -60.81 -40.7 93.71 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 169.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.81 170.88 12.65 Favored Glycine 0 CA--C 1.501 -0.793 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.488 166.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.5 mttt 67.78 75.1 0.3 Allowed Pre-proline 0 C--O 1.235 0.34 0 C-N-CA 118.594 -1.242 . . . . 0.0 113.164 162.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -82.98 145.93 12.65 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.542 2.161 . . . . 0.0 112.373 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.476 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 26.5 tt0 -99.86 111.37 23.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.444 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mt -82.46 102.75 8.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -70.12 143.58 52.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.805 -175.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -90.06 -23.53 21.41 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.236 -178.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -70.55 -64.16 0.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.079 -177.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.657 HG21 ' HG ' ' A' ' 29' ' ' LEU . 5.9 t -108.51 -3.98 17.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.945 0.402 . . . . 0.0 111.31 -176.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.57 28.94 62.4 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.171 174.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.657 ' HG ' HG21 ' A' ' 27' ' ' THR . 55.3 mt -99.38 141.67 31.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.795 0.331 . . . . 0.0 110.215 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 47.9 t -93.01 100.41 11.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.495 -178.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.48 ' HA ' ' HG3' ' A' ' 41' ' ' GLN . 3.5 m -75.53 115.14 14.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.369 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.54 ' CE1' HG23 ' A' ' 42' ' ' ILE . 42.0 p90 -121.43 173.39 7.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.014 0.435 . . . . 0.0 110.876 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -127.11 111.76 14.39 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.814 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.76 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 45.7 m-20 -62.34 152.27 34.38 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 173.144 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -62.63 -18.74 62.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.282 0.563 . . . . 0.0 110.129 173.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -84.97 0.88 49.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.956 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.85 11.93 58.45 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.891 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.76 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 90.6 m-20 -81.84 113.23 19.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.763 0.316 . . . . 0.0 111.191 -177.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -96.47 107.13 19.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.103 175.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.6 ptt? -156.29 179.7 8.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.464 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.48 ' HG3' ' HA ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -126.36 159.44 33.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.851 0.358 . . . . 0.0 111.792 -170.384 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.54 HG23 ' CE1' ' A' ' 32' ' ' TYR . 7.3 pt -121.36 -179.87 2.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 165.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.508 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 61.3 t30 -88.58 143.19 27.11 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 110.53 -0.174 . . . . 0.0 110.53 178.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -66.98 -17.89 65.13 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.07 0.462 . . . . 0.0 111.182 -178.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.464 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 31.5 t70 -82.24 -17.86 44.53 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.086 0.47 . . . . 0.0 110.412 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.508 ' OD1' ' HB3' ' A' ' 43' ' ' ASN . 6.1 m-20 -99.79 9.92 42.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.44 -175.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.516 HG23 HD12 ' A' ' 42' ' ' ILE . 13.1 t -85.94 128.22 39.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.065 178.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.2 t -91.11 -68.88 0.76 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -179.49 147.85 0.32 Allowed 'General case' 0 C--O 1.232 0.142 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.7 mm . . . . . 0 C--N 1.325 -0.486 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 174.395 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.473 0.717 0 CA-C-O 121.243 0.544 . . . . 0.0 111.52 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.446 ' HE2' HD12 ' A' ' 15' ' ' ILE . 57.9 ttp -132.75 131.3 41.03 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.048 -0.408 . . . . 0.0 111.135 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.13 119.95 41.07 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.959 176.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 46' ' ' ASP . 34.8 p -94.34 -179.66 4.99 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.764 -176.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -48.65 -48.76 39.44 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.827 0.851 . . . . 0.0 112.443 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -66.93 -21.61 65.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.746 -173.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.22 8.38 44.4 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.971 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -84.65 141.86 30.32 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 86.1 mtp -102.62 112.82 25.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.983 0.421 . . . . 0.0 110.236 -177.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.446 HD12 ' HE2' ' A' ' 7' ' ' MET . 63.0 mt -89.28 131.85 35.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.067 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 16' ' ' LEU . 3.5 mm? -80.95 83.99 6.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.56 0.695 . . . . 0.0 110.48 -176.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.562 HG23 ' CD2' ' A' ' 32' ' ' TYR . 29.6 p -81.63 156.2 25.25 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.611 -177.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.45 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 11.4 t70 -78.35 -24.48 46.44 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 165.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.66 -165.87 22.04 Favored Glycine 0 CA--C 1.499 -0.953 0 CA-C-N 113.385 -1.734 . . . . 0.0 109.016 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 20' ' ' LYS . 3.3 mptp? 69.46 73.49 0.3 Allowed Pre-proline 0 CA--C 1.531 0.226 0 CA-C-N 118.448 1.124 . . . . 0.0 112.896 162.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -87.47 93.63 0.47 Allowed 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.338 2.025 . . . . 0.0 111.859 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.459 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 29.3 tt0 -81.57 95.59 7.19 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.056 -178.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.459 HG12 HG23 ' A' ' 30' ' ' VAL . 28.5 mt -69.81 103.26 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -70.0 123.14 20.78 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.368 -175.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -76.98 -23.83 52.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.069 -173.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -79.4 -56.8 4.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.084 -178.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.2 p -83.31 -30.03 27.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 -176.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.482 ' O ' ' HB2' ' A' ' 44' ' ' ARG . . . 90.11 5.19 70.74 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.787 -177.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.595 ' HG ' ' HA ' ' A' ' 43' ' ' ASN . 10.8 mp -100.73 152.52 20.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.884 0.373 . . . . 0.0 111.024 -178.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 96.2 t -91.52 111.17 23.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.659 -178.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.459 ' HB2' ' HB3' ' A' ' 22' ' ' GLU . 4.8 m -84.7 106.97 16.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.799 177.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.562 ' CD2' HG23 ' A' ' 17' ' ' THR . 23.1 p90 -118.54 166.06 13.17 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.68 -175.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.45 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 29.6 m170 -107.78 133.67 51.84 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.79 175.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.544 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 5.1 m-20 -80.82 145.33 31.47 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 169.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -75.06 -8.75 57.42 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 172.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.463 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 7.5 tt0 -68.32 -26.3 65.55 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.361 170.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.08 21.85 5.47 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.003 -0.617 . . . . 0.0 112.697 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.544 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 88.5 m-20 -110.03 163.2 13.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.961 0.41 . . . . 0.0 111.265 -177.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -140.38 119.97 13.25 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 173.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.2 ptp -153.65 169.2 23.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.65 0.262 . . . . 0.0 110.62 -175.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.505 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . 21.2 mt-30 -112.99 126.97 56.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.047 -176.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.692 HD11 ' HB ' ' A' ' 47' ' ' VAL . 3.5 pt -102.85 166.36 2.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 172.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.595 ' HA ' ' HG ' ' A' ' 29' ' ' LEU . 62.0 t30 -76.58 152.88 35.78 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 120.822 0.344 . . . . 0.0 111.666 -174.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.482 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 9.0 tpt180 -60.9 -36.14 78.47 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 121.26 0.552 . . . . 0.0 110.133 177.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -80.2 -9.73 59.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.438 ' O ' ' HB ' ' A' ' 9' ' ' THR . 33.6 t70 -90.06 -36.15 15.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.632 -176.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.692 ' HB ' HD11 ' A' ' 42' ' ' ILE . 13.2 p -72.64 144.26 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.83 -0.434 . . . . 0.0 109.83 176.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.1 t -130.8 -65.49 0.79 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.408 -176.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -135.45 141.64 45.42 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -171.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 50.7 mm . . . . . 0 C--N 1.323 -0.553 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 169.431 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 59.9 ttp -144.96 116.2 7.96 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.06 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.67 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . . . -91.02 122.05 33.35 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.5 ' HB ' ' O ' ' A' ' 46' ' ' ASP . 62.2 p -92.25 -177.63 4.71 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.932 0.396 . . . . 0.0 111.837 -176.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.82 ' HB3' ' HZ1' ' A' ' 10' ' ' LYS . 6.1 ttpm? -41.6 -46.39 3.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.832 -1.076 . . . . 0.0 112.276 -178.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.47 4.1 22.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.846 -170.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.75 2.75 90.64 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.448 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -83.59 136.87 34.08 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 67.0 mtt -92.06 118.94 31.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.489 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.4 mm -84.93 129.62 37.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.43 65.46 5.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.382 0.61 . . . . 0.0 110.634 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 33' ' ' HIS . 35.1 p -73.62 134.77 43.74 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.75 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -56.99 -38.26 72.79 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 172.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.96 175.45 23.66 Favored Glycine 0 CA--C 1.499 -0.926 0 CA-C-O 118.958 -0.912 . . . . 0.0 111.532 164.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt 71.94 71.52 0.28 Allowed Pre-proline 0 N--CA 1.454 -0.27 0 C-N-CA 118.697 -1.201 . . . . 0.0 113.249 164.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -82.16 105.52 1.48 Allowed 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 122.364 2.043 . . . . 0.0 111.389 176.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -82.93 108.87 16.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.573 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.525 HG12 HG22 ' A' ' 30' ' ' VAL . 52.3 mt -78.89 116.88 23.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.704 -178.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -71.01 94.92 1.13 Allowed 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 174.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -66.44 -19.28 65.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.313 -172.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.22 -48.04 83.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.468 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.7 HG21 ' HG ' ' A' ' 29' ' ' LEU . 9.1 t -116.14 -26.27 7.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.737 -175.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.24 34.21 4.6 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.5 -177.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.7 ' HG ' HG21 ' A' ' 27' ' ' THR . 63.0 mt -101.01 161.19 13.77 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 175.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.525 HG22 HG12 ' A' ' 23' ' ' ILE . 60.1 t -121.5 110.35 27.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.021 0.438 . . . . 0.0 110.61 178.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 40' ' ' MET . 66.9 m -78.04 101.89 7.16 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.2 177.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.48 ' CZ ' ' HE2' ' A' ' 40' ' ' MET . 6.4 p90 -116.69 153.89 31.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 -176.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.571 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 32.5 m170 -109.05 123.15 48.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.683 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.66 163.95 13.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.701 174.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -74.46 58.79 0.78 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.904 0.859 . . . . 0.0 110.99 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.513 ' HB3' ' HB2' ' A' ' 38' ' ' ASN . 22.0 tp60 -150.15 7.39 0.61 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.749 -1.114 . . . . 0.0 108.823 176.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.66 43.8 91.14 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 109.028 -1.629 . . . . 0.0 109.028 -167.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.571 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 9.4 t-20 -111.63 114.3 27.25 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.804 -0.698 . . . . 0.0 110.64 -167.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.94 107.73 18.66 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.48 ' HE2' ' CZ ' ' A' ' 32' ' ' TYR . 68.1 mtm -127.02 161.79 27.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.617 -177.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -120.1 111.71 18.2 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.424 HG22 ' HB ' ' A' ' 30' ' ' VAL . 7.9 tp -105.64 141.1 21.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.577 -177.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -62.54 146.21 52.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.044 0.45 . . . . 0.0 111.618 -176.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -59.47 -25.81 64.71 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.09 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -83.77 -9.27 58.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.886 0.375 . . . . 0.0 111.029 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.5 ' O ' ' HB ' ' A' ' 9' ' ' THR . 11.5 m-20 -97.79 -22.79 16.2 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.863 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.2 m -85.11 163.14 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 171.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.6 t -151.45 -78.94 0.12 Allowed 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.226 -0.59 . . . . 0.0 112.056 -176.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.67 ' HB2' ' HB2' ' A' ' 8' ' ' ALA . 10.2 mm100 -103.23 116.8 33.16 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.029 0.442 . . . . 0.0 112.165 -167.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.9 mt . . . . . 0 CA--C 1.536 0.44 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.47 176.899 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 121.042 0.449 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.3 ttp -130.8 127.97 39.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.326 -174.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.438 ' HB2' ' SD ' ' A' ' 14' ' ' MET . . . -98.08 127.82 44.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.982 176.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.9 p -113.09 -176.69 2.95 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.85 -176.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.568 ' HZ2' ' HB3' ' A' ' 10' ' ' LYS . 5.6 ttpm? -29.14 -55.02 0.13 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.85 1.26 . . . . 0.0 112.994 174.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.412 ' HB2' ' HG2' ' A' ' 13' ' ' ARG . 2.1 m-20 -68.9 -7.79 38.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.389 -171.05 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.16 16.25 80.69 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -174.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 8' ' ' ALA . 9.0 ptp180 -88.26 142.8 27.45 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.438 ' SD ' ' HB2' ' A' ' 8' ' ' ALA . 26.4 mmt -97.4 103.27 15.19 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.493 178.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mt -83.67 111.96 20.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.82 77.69 1.6 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.95 177.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.8 p -69.31 155.85 39.75 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.644 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.52 -35.08 79.37 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 171.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.89 169.53 15.12 Favored Glycine 0 CA--C 1.505 -0.583 0 CA-C-N 114.432 -1.258 . . . . 0.0 110.621 168.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.5 mttt 73.76 90.39 0.07 OUTLIER Pre-proline 0 C--N 1.347 0.48 0 CA-C-N 118.573 1.187 . . . . 0.0 114.005 163.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -90.34 108.61 0.36 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.751 2.301 . . . . 0.0 111.852 173.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -91.7 104.22 16.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.0 mt -75.89 113.45 14.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.752 -177.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -82.01 106.72 14.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.693 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -66.18 -22.68 66.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.262 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.36 -68.37 0.28 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.415 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.441 HG23 ' HG ' ' A' ' 29' ' ' LEU . 3.7 t -96.39 -9.48 29.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.983 -172.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.18 37.53 32.03 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.033 -1.08 . . . . 0.0 110.955 -177.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.441 ' HG ' HG23 ' A' ' 27' ' ' THR . 41.9 mt -121.9 177.45 5.29 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.595 HG22 ' HA ' ' A' ' 44' ' ' ARG . 70.3 t -128.62 114.98 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.551 0.215 . . . . 0.0 110.772 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.9 m -80.32 99.87 8.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.197 175.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.402 ' HH ' ' HE2' ' A' ' 40' ' ' MET . 8.6 p90 -101.81 177.17 4.98 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.6 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 68.7 m80 -117.95 122.5 43.43 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 178.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.65 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -54.85 175.49 0.06 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 177.442 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -62.42 -30.62 71.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.515 -1.221 . . . . 0.0 108.681 169.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.487 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 59.5 mm-40 -84.13 -13.72 52.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.87 178.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.37 0.53 47.11 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.882 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.65 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 84.1 m-20 -56.86 129.59 42.1 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 122.393 0.277 . . . . 0.0 111.635 -178.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.48 100.96 11.08 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 171.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.402 ' HE2' ' HH ' ' A' ' 32' ' ' TYR . 37.5 mtp -128.5 146.65 50.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.267 -173.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 24.2 mt-30 -101.81 124.09 46.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.225 -175.216 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.53 HD11 HG22 ' A' ' 47' ' ' VAL . 13.2 pt -107.39 178.33 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 171.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.956 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 9.7 t30 -75.64 128.31 34.96 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 110.197 -0.298 . . . . 0.0 110.197 -178.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.595 ' HA ' HG22 ' A' ' 30' ' ' VAL . 49.8 ttp180 -54.18 -43.52 70.77 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.206 0.527 . . . . 0.0 111.402 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -86.41 7.63 24.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.925 -176.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.956 ' HB2' ' HB3' ' A' ' 43' ' ' ASN . 8.0 t70 -95.39 -19.72 19.69 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.53 HG22 HD11 ' A' ' 42' ' ' ILE . 3.8 t -68.31 107.54 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.453 177.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.7 t -86.21 -48.81 8.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.529 -172.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -164.12 137.94 5.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 110.882 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 C--N 1.318 -0.798 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 170.842 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.477 ' SD ' HG21 ' A' ' 47' ' ' VAL . 16.3 tmm? -96.93 117.16 30.51 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 48' ' ' SER . . . -91.9 126.79 37.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.006 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.0 p -95.49 165.41 12.36 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.061 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -78.47 -18.39 54.92 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 172.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -63.13 -42.69 99.54 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.354 174.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.33 -23.5 5.75 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.733 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -70.22 143.45 52.18 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.098 0.475 . . . . 0.0 111.277 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.5 mmt -110.26 119.47 39.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.727 178.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.447 HG23 ' CE2' ' A' ' 32' ' ' TYR . 72.8 mt -108.99 126.21 66.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.887 -178.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.28 137.09 52.75 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.567 ' HB ' ' H ' ' A' ' 19' ' ' GLY . 13.3 p -141.18 169.39 17.7 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.373 -176.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -90.26 -4.9 56.89 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 164.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.567 ' H ' ' HB ' ' A' ' 17' ' ' THR . . . 108.38 -169.85 14.54 Favored Glycine 0 CA--C 1.501 -0.785 0 CA-C-N 113.829 -1.532 . . . . 0.0 110.915 172.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.0 mttt 71.15 72.3 0.28 Allowed Pre-proline 0 C--O 1.234 0.25 0 C-N-CA 119.093 -1.043 . . . . 0.0 113.162 162.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -77.86 105.2 1.98 Allowed 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.664 2.243 . . . . 0.0 111.514 175.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 34.1 tt0 -81.63 105.32 12.69 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.6 mt -79.41 107.66 12.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.043 0.449 . . . . 0.0 110.68 -176.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -79.91 134.53 36.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.388 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -108.0 9.5 28.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.382 0.611 . . . . 0.0 110.869 -178.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -87.77 -44.6 11.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.011 178.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.577 HG23 ' HG ' ' A' ' 29' ' ' LEU . 5.3 t -112.83 -19.08 12.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.437 173.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.3 35.32 12.34 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.055 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.577 ' HG ' HG23 ' A' ' 27' ' ' THR . 43.7 mt -113.0 155.8 24.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.971 0.415 . . . . 0.0 110.218 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.84 112.55 36.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.646 -177.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.529 ' HB2' ' HB3' ' A' ' 22' ' ' GLU . 15.5 m -83.02 111.68 19.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.093 0.473 . . . . 0.0 110.742 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.642 ' CE1' HG23 ' A' ' 42' ' ' ILE . 3.2 p90 -111.09 149.1 31.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.777 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -102.82 123.7 46.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.809 -175.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.716 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -61.36 160.45 10.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.289 -179.02 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -74.27 -14.89 60.98 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 168.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.505 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 82.8 mt-30 -85.22 -6.09 59.29 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.461 176.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.28 35.08 12.67 Favored Glycine 0 C--O 1.229 -0.204 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.01 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.716 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 84.9 m-20 -107.95 161.84 14.57 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -121.73 107.49 12.41 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.938 0.399 . . . . 0.0 110.01 174.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.43 ' HE3' ' OD2' ' A' ' 34' ' ' ASP . 76.3 mtm -121.82 170.97 9.24 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.892 -178.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -131.93 129.46 40.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.692 0.282 . . . . 0.0 111.359 -175.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.841 HD12 ' HB ' ' A' ' 47' ' ' VAL . 10.8 pt -108.4 -177.89 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -84.42 148.95 26.31 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.731 0.301 . . . . 0.0 110.875 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.543 ' O ' HG13 ' A' ' 47' ' ' VAL . 27.3 ttp85 -62.91 -42.13 99.68 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -175.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -89.45 3.93 50.75 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.761 -178.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -88.28 -34.79 17.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.16 0.505 . . . . 0.0 109.696 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.841 ' HB ' HD12 ' A' ' 42' ' ' ILE . 11.5 p -72.4 147.29 10.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.285 178.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 8' ' ' ALA . 30.3 t -117.57 -76.73 0.57 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 177.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -146.23 152.87 39.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.666 0.27 . . . . 0.0 110.64 -177.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.431 HD11 ' H ' ' A' ' 50' ' ' ILE . 4.2 mp . . . . . 0 C--N 1.325 -0.478 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 174.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.448 -0.526 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -136.78 116.59 13.11 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.724 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . . . -104.49 124.17 48.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.083 179.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.5 p -82.75 172.31 13.02 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.417 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -75.03 -0.07 17.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.361 0.601 . . . . 0.0 110.495 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -73.85 -36.91 64.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.708 173.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.72 -3.64 21.31 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.774 -175.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -86.27 137.8 32.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.944 0.402 . . . . 0.0 110.287 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 50.9 ttm -102.65 105.81 16.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.138 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.7 mt -97.41 137.24 25.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.936 -175.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -85.39 118.81 25.15 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 175.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.9 p -121.46 143.77 49.06 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.115 -172.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.911 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 25.2 t70 -64.19 111.04 2.4 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 161.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.62 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -62.58 156.13 39.76 Favored Glycine 0 CA--C 1.496 -1.125 0 CA-C-O 118.517 -1.157 . . . . 0.0 112.325 -163.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.62 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 58.9 mttp 82.61 70.3 0.11 Allowed Pre-proline 0 C--N 1.351 0.662 0 C-N-CA 119.078 -1.049 . . . . 0.0 110.804 178.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -88.38 162.14 6.81 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.795 2.33 . . . . 0.0 112.778 -176.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 13.3 mm-40 -100.35 97.22 8.0 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.627 -178.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.534 HG12 HG12 ' A' ' 30' ' ' VAL . 5.9 mt -85.41 97.92 6.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.497 -0.481 . . . . 0.0 109.751 174.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.577 ' OD1' HG22 ' A' ' 27' ' ' THR . 15.7 t70 -83.86 98.62 9.85 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 174.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -75.44 -10.96 59.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.244 0.545 . . . . 0.0 109.903 -174.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.464 ' HB3' ' OD1' ' A' ' 24' ' ' ASP . 15.9 t70 -67.21 -51.62 51.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.406 178.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.577 HG22 ' OD1' ' A' ' 24' ' ' ASP . 8.8 t -87.94 -23.22 23.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.935 0.398 . . . . 0.0 110.272 174.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.3 24.07 38.19 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 121.026 -0.606 . . . . 0.0 111.952 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.3 mt -116.61 142.98 46.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.952 0.406 . . . . 0.0 110.344 -177.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.534 HG12 HG12 ' A' ' 23' ' ' ILE . 61.9 t -108.88 107.21 22.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.776 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.616 ' HG ' ' HG2' ' A' ' 41' ' ' GLN . 15.1 m -82.01 119.66 24.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.11 179.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.548 ' CE1' HG22 ' A' ' 42' ' ' ILE . 6.6 p90 -129.43 154.36 47.03 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.981 -178.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.911 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 73.5 m80 -104.74 136.92 43.36 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.904 0.383 . . . . 0.0 110.497 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.73 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.9 OUTLIER -68.18 165.56 18.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.61 176.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.496 ' OE1' ' HA ' ' A' ' 35' ' ' GLN . 5.9 tp60 -74.51 -14.34 60.8 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 172.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.457 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 6.4 tp-100 -83.85 -20.03 33.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.304 176.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.86 8.44 27.95 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.66 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.73 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 87.4 m-20 -75.06 152.48 38.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.702 0.287 . . . . 0.0 110.766 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.8 101.18 8.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.976 0.417 . . . . 0.0 110.036 176.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 70.6 mtm -123.29 174.27 7.41 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.586 -175.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.616 ' HG2' ' HG ' ' A' ' 31' ' ' SER . 45.9 mt-30 -138.54 129.32 26.54 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.674 -176.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.548 HG22 ' CE1' ' A' ' 32' ' ' TYR . 13.0 pt -109.33 -178.24 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 172.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.571 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 49.9 t30 -91.05 149.25 21.9 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.847 0.356 . . . . 0.0 110.806 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 -53.2 -51.7 61.24 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 123.803 0.841 . . . . 0.0 113.203 -175.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -84.55 5.54 27.28 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -173.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.571 ' OD1' ' HB3' ' A' ' 43' ' ' ASN . 3.3 m-20 -87.58 -18.82 28.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.083 0.468 . . . . 0.0 110.11 174.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.532 HG21 HG23 ' A' ' 30' ' ' VAL . 3.4 t -72.09 146.35 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.662 178.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.2 t -146.44 -75.15 0.21 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.377 -0.529 . . . . 0.0 112.216 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.724 ' HB2' ' HB2' ' A' ' 8' ' ' ALA . 47.5 mt-30 -102.63 108.14 19.3 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 -168.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.9 pt . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.595 174.884 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 N--CA 1.465 0.303 0 CA-C-O 121.283 0.563 . . . . 0.0 111.841 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 59.8 ttp -99.21 106.85 19.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.471 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.77 110.91 22.52 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.472 175.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.9 p -88.06 164.9 15.52 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 121.251 0.548 . . . . 0.0 111.105 -177.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.64 ' HB2' ' HB2' ' A' ' 48' ' ' SER . 30.5 ttpt -82.89 -0.47 48.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.864 -174.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.545 ' OD1' ' HG2' ' A' ' 13' ' ' ARG . 1.8 p30 -88.07 -16.74 32.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.982 0.42 . . . . 0.0 110.028 175.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.62 -27.55 6.83 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.665 -0.779 . . . . 0.0 113.257 176.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.545 ' HG2' ' OD1' ' A' ' 11' ' ' ASP . 11.7 ptm180 -74.54 149.02 40.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.17 0.51 . . . . 0.0 111.067 -178.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 50.8 ttm -121.97 114.33 20.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.766 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.9 mt -102.25 134.83 41.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.949 -174.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -77.87 86.53 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.153 0.501 . . . . 0.0 110.735 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.9 p -101.99 126.56 48.94 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.262 174.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.53 -30.28 71.18 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.761 176.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.07 -179.74 30.05 Favored Glycine 0 CA--C 1.501 -0.811 0 C-N-CA 120.34 -0.933 . . . . 0.0 112.303 163.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 79.2 mttt 73.19 73.2 0.23 Allowed Pre-proline 0 N--CA 1.45 -0.433 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 165.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -94.43 116.59 0.24 Allowed 'Trans proline' 0 N--CA 1.443 -1.494 0 C-N-CA 123.508 2.806 . . . . 0.0 110.934 172.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.68 102.44 9.88 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -178.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.4 mt -70.77 107.22 2.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.029 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.516 ' CG ' ' HG1' ' A' ' 27' ' ' THR . 10.4 t70 -73.17 128.56 35.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.059 -177.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.642 ' HA ' ' NH2' ' A' ' 44' ' ' ARG . 4.6 p30 -102.49 8.54 39.95 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -177.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -104.99 -47.35 4.03 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-O 122.415 1.102 . . . . 0.0 108.802 175.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.516 ' HG1' ' CG ' ' A' ' 24' ' ' ASP . 0.2 OUTLIER -96.19 -12.28 24.88 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 113.128 -1.851 . . . . 0.0 112.218 -165.421 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.17 20.96 78.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.419 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.3 mt -117.6 176.97 4.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.646 -0.277 . . . . 0.0 110.633 -176.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 44' ' ' ARG . 39.3 t -135.03 115.92 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.403 178.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 40' ' ' MET . 5.9 m -79.92 101.57 8.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.965 -178.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.627 ' HH ' ' HE1' ' A' ' 40' ' ' MET . 1.1 p90 -105.77 169.09 8.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.948 0.404 . . . . 0.0 110.215 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -115.55 117.21 29.69 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.015 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.671 ' OD2' ' HE2' ' A' ' 40' ' ' MET . 54.6 m-20 -62.65 158.49 18.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.938 177.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -76.41 -8.52 57.31 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 168.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.506 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 26.2 tp60 -85.91 -10.96 54.37 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.354 177.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.16 30.75 9.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 113.33 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.476 ' HB2' ' OD2' ' A' ' 34' ' ' ASP . 55.4 m-80 -118.5 146.17 44.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 117.088 0.444 . . . . 0.0 110.757 176.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.25 102.79 12.18 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.671 ' HE2' ' OD2' ' A' ' 34' ' ' ASP . 62.5 mtm -124.46 169.91 11.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.264 -175.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.487 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 35.8 mt-30 -122.8 115.74 22.53 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.397 -175.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.543 HD12 HG23 ' A' ' 47' ' ' VAL . 8.3 pt -94.59 177.23 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 175.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.624 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 11.7 t30 -76.33 134.73 39.63 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.675 0.274 . . . . 0.0 110.285 -178.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.642 ' NH2' ' HA ' ' A' ' 25' ' ' ASP . 29.7 ttm180 -57.7 -36.67 72.29 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -174.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -70.53 -7.1 41.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.817 -172.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.624 ' OD1' ' HB3' ' A' ' 43' ' ' ASN . 9.3 m-20 -90.84 -33.53 15.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.606 0.241 . . . . 0.0 111.184 -178.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.543 HG23 HD12 ' A' ' 42' ' ' ILE . 15.8 t -66.43 121.56 15.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.159 -176.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.64 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . 33.0 t -125.01 -70.13 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.776 -174.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -120.23 116.14 25.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.794 0.331 . . . . 0.0 111.495 -173.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.3 mm . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.429 178.438 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.1 ttp -130.89 104.74 7.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.974 0.416 . . . . 0.0 109.948 -178.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.823 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . . . -87.56 141.02 28.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.234 -179.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.528 HG21 ' HA ' ' A' ' 47' ' ' VAL . 20.6 p -104.38 169.57 8.4 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.405 -176.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.539 ' HB2' ' HB2' ' A' ' 48' ' ' SER . 32.3 ttpt -80.92 -7.88 59.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.363 0.601 . . . . 0.0 110.142 -177.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -101.02 7.52 43.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.628 175.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.84 26.1 54.4 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.799 -0.637 . . . . 0.0 113.536 174.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -98.52 130.31 45.1 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 176.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -96.42 94.83 7.64 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.767 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.8 mt -92.83 134.32 31.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.58 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -89.72 142.06 28.04 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.526 ' HA ' ' O ' ' A' ' 33' ' ' HIS . 17.6 p -135.82 176.01 9.07 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.884 -177.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -102.28 18.2 21.54 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 106.865 -1.532 . . . . 0.0 106.865 165.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.99 -159.48 37.71 Favored Glycine 0 CA--C 1.503 -0.706 0 CA-C-N 112.811 -1.995 . . . . 0.0 109.85 -173.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.0 mttm 65.74 51.0 0.79 Allowed Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 155.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.472 ' HG3' HD13 ' A' ' 50' ' ' ILE . 89.3 Cg_endo -81.05 140.4 12.49 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.845 1.696 . . . . 0.0 112.349 -178.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -106.05 112.32 25.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.21 177.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.531 HG12 HG22 ' A' ' 30' ' ' VAL . 52.9 mt -91.71 109.73 21.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 CA-C-O 121.255 0.55 . . . . 0.0 109.947 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -74.81 95.12 2.86 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.281 178.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -78.89 -1.94 37.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.445 -170.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -71.63 -32.1 67.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.002 0.43 . . . . 0.0 110.394 174.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.617 HG23 ' HG ' ' A' ' 29' ' ' LEU . 2.8 t -127.49 -32.03 2.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.544 -176.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.453 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . 104.5 36.2 3.12 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.415 -0.898 . . . . 0.0 111.739 -175.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.617 ' HG ' HG23 ' A' ' 27' ' ' THR . 80.3 mt -104.8 167.73 9.53 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 176.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.531 HG22 HG12 ' A' ' 23' ' ' ILE . 77.9 t -135.5 116.86 19.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.813 0.339 . . . . 0.0 110.394 -178.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.01 119.47 32.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.388 177.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.494 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 7.1 p90 -135.31 171.63 14.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.543 -176.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.546 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 37.4 m80 -114.79 140.29 49.03 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 175.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.88 -174.81 4.64 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.118 169.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -70.83 2.31 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.678 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -98.83 -2.56 37.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.011 0.434 . . . . 0.0 110.21 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.65 16.45 80.64 Favored Glycine 0 C--N 1.331 0.269 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -175.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.546 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 12.7 p-10 -94.41 133.22 38.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.909 -0.646 . . . . 0.0 110.608 -177.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.494 ' HA ' ' O ' ' A' ' 32' ' ' TYR . . . -96.12 116.98 29.81 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.198 -177.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.3 mtm -121.4 169.44 10.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.08 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.43 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 38.7 tt0 -129.77 128.41 42.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.961 0.41 . . . . 0.0 110.724 -173.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.587 HD11 ' HB3' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -134.35 140.9 44.99 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.48 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.534 -175.731 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.428 ' OD1' ' HB2' ' A' ' 45' ' ' ASP . 26.5 t-20 -66.02 136.81 56.55 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 122.384 -0.197 . . . . 0.0 111.283 -177.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -66.61 -8.99 30.98 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -170.871 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.428 ' HB2' ' OD1' ' A' ' 43' ' ' ASN . 0.9 OUTLIER -79.65 -11.11 59.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.967 0.413 . . . . 0.0 110.699 176.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.587 ' HB3' HD11 ' A' ' 42' ' ' ILE . 13.4 t70 -86.65 -45.95 10.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.996 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.528 ' HA ' HG21 ' A' ' 9' ' ' THR . 6.8 m -70.46 163.86 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-O 120.936 0.398 . . . . 0.0 111.319 178.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.539 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . 36.2 t -157.55 -69.83 0.1 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.041 -179.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.823 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 26.2 mt-30 -93.82 98.47 11.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.254 0.549 . . . . 0.0 111.621 -174.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.472 HD13 ' HG3' ' A' ' 21' ' ' PRO . 13.7 tt . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.794 171.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.738 0.304 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -118.75 12.68 13.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.425 -169.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.47 134.46 62.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.173 0.511 . . . . 0.0 111.329 177.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.499 ' HE1' HD13 ' A' ' 15' ' ' ILE . 56.1 ttp -113.03 101.14 9.18 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.368 179.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.599 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . . . -80.28 122.64 27.14 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 173.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.4 p -104.04 -179.66 4.01 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -171.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.661 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 33.7 ttpt -48.9 -43.09 38.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.507 -1.224 . . . . 0.0 112.161 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -78.0 -2.61 37.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.579 -175.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.28 -7.27 82.08 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.597 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 13' ' ' ARG . 7.5 ptp85 -74.45 134.52 42.33 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.087 0.47 . . . . 0.0 110.455 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.5 ttm -91.71 114.85 27.49 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.097 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.499 HD13 ' HE1' ' A' ' 7' ' ' MET . 69.7 mt -95.89 125.95 48.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.516 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 16' ' ' LEU . 2.9 mm? -75.28 111.28 10.37 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 176.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.436 ' HB ' ' H ' ' A' ' 19' ' ' GLY . 3.7 p -110.95 156.66 20.89 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.365 -176.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.897 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 7.5 t70 -65.2 -22.37 66.89 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 164.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.436 ' H ' ' HB ' ' A' ' 17' ' ' THR . . . 93.96 -170.14 30.22 Favored Glycine 0 CA--C 1.496 -1.127 0 CA-C-N 113.438 -1.71 . . . . 0.0 110.956 171.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp 65.86 55.03 1.04 Allowed Pre-proline 0 CA--C 1.534 0.339 0 C-N-CA 118.751 -1.18 . . . . 0.0 111.82 160.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -85.55 149.63 10.1 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.531 2.154 . . . . 0.0 113.808 -170.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -109.36 117.7 34.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.432 177.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.492 HG12 HG23 ' A' ' 30' ' ' VAL . 50.5 mt -95.65 130.47 44.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.804 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -82.85 96.36 8.22 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 169.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -77.58 2.35 16.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.632 -170.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -87.11 -12.89 45.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.983 0.421 . . . . 0.0 110.266 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.557 HG21 ' HG ' ' A' ' 29' ' ' LEU . 6.4 t -137.74 -35.52 0.65 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.204 178.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.425 ' O ' ' HG2' ' A' ' 44' ' ' ARG . . . 105.14 32.49 4.01 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.573 -179.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.557 ' HG ' HG21 ' A' ' 27' ' ' THR . 52.2 mt -103.23 132.59 49.37 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.559 HG21 HG22 ' A' ' 47' ' ' VAL . 46.8 t -107.08 110.87 33.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.277 -174.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.4 m -84.52 105.17 15.13 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.475 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 16.3 p90 -110.47 175.56 5.38 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.897 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 24.9 m170 -120.59 117.58 27.96 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.497 ' HB3' ' OE1' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -74.36 175.83 7.3 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.178 0.513 . . . . 0.0 111.698 175.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -57.35 -31.72 66.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.45 -177.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.497 ' OE1' ' HB3' ' A' ' 34' ' ' ASP . 15.8 mp0 -80.61 0.34 34.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.797 -175.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.6 35.32 29.18 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.489 -0.862 . . . . 0.0 111.284 -176.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.525 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 92.7 m-20 -103.18 125.72 50.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.692 -0.254 . . . . 0.0 110.911 -177.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 32' ' ' TYR . . . -90.69 100.22 13.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.942 176.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.451 ' HE3' ' OH ' ' A' ' 32' ' ' TYR . 77.8 mtm -121.91 160.26 25.16 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.155 -177.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.526 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 77.2 mt-30 -113.97 124.59 52.54 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.173 -176.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.517 HD13 HG21 ' A' ' 47' ' ' VAL . 10.9 pt -110.0 -179.79 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.903 0.382 . . . . 0.0 110.319 175.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -85.11 137.57 32.95 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.056 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 28' ' ' GLY . 0.8 OUTLIER -57.16 -35.49 69.6 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 123.12 0.263 . . . . 0.0 111.497 177.65 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.52 -19.28 62.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.06 0.457 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.661 ' HA ' ' HB2' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -86.09 -11.89 51.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.538 178.584 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.559 HG22 HG21 ' A' ' 30' ' ' VAL . 15.6 t -82.17 116.56 26.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 175.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.1 t -105.94 -72.4 0.72 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.665 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.599 ' HB2' ' HB2' ' A' ' 8' ' ' ALA . 15.6 mm100 -124.88 110.71 14.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.122 0.487 . . . . 0.0 111.913 -175.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.484 HD13 ' HG3' ' A' ' 7' ' ' MET . 49.9 mm -104.97 -56.13 5.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 171.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.547 HG12 ' H ' ' A' ' 52' ' ' GLU . 15.0 tt -178.32 175.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 178.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.547 ' H ' HG12 ' A' ' 51' ' ' ILE . 32.1 tt0 -68.34 107.6 2.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.336 0.589 . . . . 0.0 110.03 177.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.445 ' HG3' HH11 ' A' ' 53' ' ' ARG . 59.9 mtm-85 . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.915 -173.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 . . . . . 0 CA--C 1.518 -0.251 0 CA-C-O 120.903 0.382 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -136.77 176.13 8.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.306 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.2 p -172.74 139.32 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.969 0.414 . . . . 0.0 110.568 -178.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 59.1 ttp -121.29 105.11 10.24 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.75 ' HB2' ' HG3' ' A' ' 49' ' ' GLN . . . -93.86 119.79 33.26 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.415 ' HB ' ' OD2' ' A' ' 46' ' ' ASP . 43.0 p -86.12 172.46 10.56 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.355 -175.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.637 ' HB3' ' HZ3' ' A' ' 10' ' ' LYS . 6.7 ttpm? -62.95 -25.99 68.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.835 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -54.78 -31.66 59.12 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.853 175.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.44 16.61 24.26 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.205 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -105.72 144.14 32.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.756 0.313 . . . . 0.0 110.618 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -97.84 104.1 16.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.059 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.4 mt -95.46 115.13 33.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.36 96.52 1.89 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.4 p -102.76 163.28 12.31 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.876 -174.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.5 157.77 25.81 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 169.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.6 72.45 2.83 Favored Glycine 0 CA--C 1.506 -0.47 0 C-N-CA 119.762 -1.208 . . . . 0.0 110.893 -177.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.609 ' H ' ' HD3' ' A' ' 21' ' ' PRO . 4.4 tmtt? 170.31 52.29 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.492 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -155.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.609 ' HD3' ' H ' ' A' ' 20' ' ' LYS . 6.2 Cg_exo -73.81 110.55 3.1 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.696 1.597 . . . . 0.0 110.545 173.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.402 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 4.5 tp10 -76.14 100.83 5.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.738 -176.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.466 HG12 HG23 ' A' ' 30' ' ' VAL . 50.3 mt -94.28 106.92 18.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.721 -175.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -83.09 107.45 15.67 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 174.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -73.52 -11.51 60.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.313 0.577 . . . . 0.0 110.836 -172.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -79.5 -58.16 3.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.971 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.457 ' HB ' HD11 ' A' ' 29' ' ' LEU . 36.7 p -82.9 -28.78 29.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.007 0.432 . . . . 0.0 110.857 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.12 15.09 55.0 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.976 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.457 HD11 ' HB ' ' A' ' 27' ' ' THR . 11.1 mp -95.0 144.49 25.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.336 0.589 . . . . 0.0 111.541 -178.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.466 HG23 HG12 ' A' ' 23' ' ' ILE . 90.0 t -114.81 108.7 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.91 177.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 40' ' ' MET . 7.5 m -87.7 115.97 25.52 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.836 177.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.512 ' CE1' HG21 ' A' ' 42' ' ' ILE . 27.8 p90 -116.54 141.27 48.4 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.951 0.405 . . . . 0.0 110.596 -177.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.632 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 15.7 t-80 -94.42 117.68 30.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.531 178.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.572 ' OD2' ' HE1' ' A' ' 40' ' ' MET . 56.3 m-20 -66.62 163.24 19.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.16 176.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -70.66 -16.22 62.79 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 166.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.517 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 10.1 tt0 -76.08 -12.52 60.13 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.157 -1.383 . . . . 0.0 110.462 178.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.454 ' HA2' ' NE2' ' A' ' 33' ' ' HIS . . . 85.28 37.05 10.13 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.687 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.632 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 92.8 m-20 -119.7 150.52 40.23 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.64 96.61 6.38 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 170.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.572 ' HE1' ' OD2' ' A' ' 34' ' ' ASP . 62.7 mtm -104.5 160.34 15.01 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.17 131.34 53.64 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.236 -175.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.521 HD12 HG21 ' A' ' 47' ' ' VAL . 15.0 pt -114.33 -179.08 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 167.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -99.34 151.27 21.25 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.598 174.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' HA ' HG23 ' A' ' 47' ' ' VAL . 50.3 ttp180 -63.22 -23.77 67.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.71 -18.67 60.6 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.802 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.543 ' OD1' ' HB3' ' A' ' 10' ' ' LYS . 14.6 t70 -111.71 -0.14 16.1 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.504 -176.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.521 HG21 HD12 ' A' ' 42' ' ' ILE . 8.3 t -78.59 103.94 6.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 176.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.0 t -92.58 -64.7 1.07 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.749 0.309 . . . . 0.0 111.301 -174.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.75 ' HG3' ' HB2' ' A' ' 8' ' ' ALA . 12.2 pt20 -138.84 126.38 21.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.193 0.52 . . . . 0.0 111.04 -177.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.3 tt -120.15 -23.79 3.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.382 -178.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.2 mp 71.19 117.55 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.647 177.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -77.61 130.46 36.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 174.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.649 ' O ' ' HD2' ' A' ' 53' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.308 0 CA-C-O 121.686 0.755 . . . . 0.0 112.03 -175.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.2 t70 . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 121.441 0.639 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.602 ' O ' HG21 ' A' ' 6' ' ' VAL . 80.0 m-85 -142.16 -158.12 0.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.771 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.602 HG21 ' O ' ' A' ' 5' ' ' TYR . 2.1 m 62.35 177.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.747 1.219 . . . . 0.0 112.008 179.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.0 ttp -132.45 111.2 11.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.134 0.493 . . . . 0.0 111.25 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.777 ' HB2' ' HB3' ' A' ' 49' ' ' GLN . . . -87.13 139.3 30.71 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 172.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.521 ' OG1' ' HG2' ' A' ' 13' ' ' ARG . 19.0 p -114.11 164.07 14.34 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -175.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -56.14 -39.13 71.79 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.319 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -55.64 -32.52 63.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.224 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.65 56.21 0.87 Allowed Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.803 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.521 ' HG2' ' OG1' ' A' ' 9' ' ' THR . 4.6 ptm180 -150.6 134.37 16.64 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.8 ttm -91.54 110.91 22.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.109 -178.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.6 mt -94.78 120.37 44.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.49 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.492 HD13 ' HB3' ' A' ' 35' ' ' GLN . 0.3 OUTLIER -74.81 104.79 5.58 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.525 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.1 p -97.24 143.23 28.23 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.992 -174.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.624 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 3.1 t70 -62.44 -43.47 98.73 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 168.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.83 -176.42 23.17 Favored Glycine 0 CA--C 1.497 -1.092 0 N-CA-C 109.579 -1.409 . . . . 0.0 109.579 171.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 71.63 78.44 0.21 Allowed Pre-proline 0 N--CA 1.455 -0.195 0 C-N-CA 118.559 -1.257 . . . . 0.0 112.666 164.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -80.94 93.56 1.01 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 121.942 1.762 . . . . 0.0 111.112 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -79.64 87.96 5.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.544 0.688 . . . . 0.0 109.608 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.508 HG12 HG21 ' A' ' 30' ' ' VAL . 30.3 mt -80.7 103.27 7.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.864 -175.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -74.89 97.15 3.26 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 176.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -77.57 2.93 14.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.601 -170.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -69.03 -32.03 71.25 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 174.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.8 t -118.88 -26.54 6.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.717 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.1 27.98 11.51 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.858 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.1 mt -106.41 149.98 26.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.932 0.396 . . . . 0.0 110.116 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.508 HG21 HG12 ' A' ' 23' ' ' ILE . 49.0 t -103.57 105.16 17.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.495 -177.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 m -83.55 95.91 8.46 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.303 0.573 . . . . 0.0 109.729 176.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.549 ' OH ' ' HE1' ' A' ' 40' ' ' MET . 16.9 p90 -102.2 175.75 5.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.838 -177.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.624 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 8.9 m170 -119.55 129.35 54.62 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -69.73 163.53 25.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.393 177.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.492 ' HB3' HD13 ' A' ' 16' ' ' LEU . 30.1 pt20 -68.72 -19.77 64.37 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 163.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -72.84 -27.19 61.79 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.346 -1.297 . . . . 0.0 110.118 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.07 20.81 9.42 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.526 -0.845 . . . . 0.0 114.07 174.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.429 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 3.3 m-80 -108.95 160.01 16.36 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 117.535 0.667 . . . . 0.0 109.969 176.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' A' ' 32' ' ' TYR . . . -107.43 105.43 15.35 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 173.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.549 ' HE1' ' OH ' ' A' ' 32' ' ' TYR . 64.6 mtm -112.7 159.89 18.46 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.132 -178.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 38.1 mt-30 -115.92 117.26 29.67 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.041 -175.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.511 HD13 HG22 ' A' ' 47' ' ' VAL . 5.9 pt -104.35 -179.66 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 172.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.463 ' ND2' ' HB3' ' A' ' 45' ' ' ASP . 53.4 t30 -89.03 142.05 27.97 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.416 ' HA ' HG21 ' A' ' 47' ' ' VAL . 55.2 ttp180 -68.3 -32.19 72.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.895 0.379 . . . . 0.0 110.691 -178.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.463 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 19.6 t70 -70.78 -20.37 62.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.507 0.67 . . . . 0.0 110.24 175.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.27 -3.28 59.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.288 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.511 HG22 HD13 ' A' ' 42' ' ' ILE . 12.5 t -80.24 103.5 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.7 t -92.57 -33.26 14.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -175.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.777 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 1.4 tm0? -152.06 149.6 29.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.738 0.304 . . . . 0.0 110.314 178.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.1 tt -173.15 -32.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.427 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.1 mt 65.23 99.76 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.741 176.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -99.75 79.66 2.26 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.94 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? . . . . . 0 C--N 1.318 -0.798 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 177.565 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 121.169 0.509 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.737 ' HA ' ' HG3' ' A' ' 52' ' ' GLU . 34.3 m-85 -105.19 93.85 4.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.463 177.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 m -147.57 108.92 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.24 0.543 . . . . 0.0 111.692 -170.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 50.1 ttp -75.53 102.07 5.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.058 174.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.05 120.22 18.37 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.1 p -105.31 172.78 6.61 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.938 0.399 . . . . 0.0 111.924 -173.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -53.54 -38.49 63.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.842 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -66.91 -17.95 65.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.055 -177.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.65 1.37 63.88 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.164 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 ptm85 -96.3 142.1 28.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.945 0.402 . . . . 0.0 110.928 -178.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -93.49 111.78 23.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.364 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.1 mt -91.52 127.34 43.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 175.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.52 111.28 4.62 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -175.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.452 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 1.4 p -124.26 78.75 1.68 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -170.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -93.24 121.61 34.78 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 163.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.446 ' HA3' ' HB2' ' A' ' 33' ' ' HIS . . . 116.42 -60.85 0.42 Allowed Glycine 0 CA--C 1.502 -0.731 0 N-CA-C 108.184 -1.967 . . . . 0.0 108.184 -162.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.526 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER 77.13 132.76 0.04 OUTLIER Pre-proline 0 CA--C 1.537 0.466 0 N-CA-C 116.868 2.173 . . . . 0.0 116.868 140.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.526 ' HD2' ' HG2' ' A' ' 20' ' ' LYS . 74.2 Cg_exo -45.3 130.32 11.17 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 124.826 3.684 . . . . 0.0 115.456 -174.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.46 ' HB3' ' OG ' ' A' ' 31' ' ' SER . 10.7 tt0 -117.0 112.39 20.89 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 169.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.9 mt -70.81 108.23 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.122 0.487 . . . . 0.0 110.899 -176.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -82.15 88.06 6.48 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 176.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -80.31 -14.03 58.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.225 -161.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -93.04 -2.48 55.61 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.629 0.728 . . . . 0.0 109.623 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.26 -35.54 3.42 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.163 -173.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.46 12.56 44.37 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.567 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.1 mp -118.14 172.45 7.42 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 -179.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 21' ' ' PRO . 61.5 t -136.75 116.34 16.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.46 ' OG ' ' HB3' ' A' ' 22' ' ' GLU . 7.0 p -82.92 106.91 15.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.842 0.353 . . . . 0.0 111.021 -178.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -113.14 154.87 25.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.022 0.439 . . . . 0.0 109.898 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.463 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 48.9 m170 -114.89 127.54 55.76 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.812 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.88 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -66.06 174.21 2.65 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.772 0.796 . . . . 0.0 112.92 -178.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -69.67 -9.29 53.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.268 -1.333 . . . . 0.0 110.36 175.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.415 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 27.5 mm-40 -114.87 20.95 14.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.419 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.39 40.47 94.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.825 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.88 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 78.0 m-20 -97.22 117.47 31.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 178.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.86 103.41 15.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.798 0.332 . . . . 0.0 110.93 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 78.9 mtm -131.09 154.49 48.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.764 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -113.22 124.4 52.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.867 0.365 . . . . 0.0 110.807 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.778 HD11 ' HB ' ' A' ' 47' ' ' VAL . 9.0 pt -100.06 -179.0 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.482 175.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -87.88 151.33 22.92 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.667 0.27 . . . . 0.0 110.525 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.2 ttt-85 -63.01 -24.25 67.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.173 0.511 . . . . 0.0 110.313 177.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -86.96 -18.94 29.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.158 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -79.85 -30.46 40.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.815 0.34 . . . . 0.0 110.821 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.778 ' HB ' HD11 ' A' ' 42' ' ' ILE . 9.5 p -85.22 139.35 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.276 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.8 t -108.73 -58.69 1.98 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.678 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -150.35 137.92 19.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.652 0.263 . . . . 0.0 110.518 -178.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.48 HG21 ' HG2' ' A' ' 21' ' ' PRO . 20.6 pt -129.13 138.05 55.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.009 176.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.0 pt -144.72 14.74 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.072 -175.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.737 ' HG3' ' HA ' ' A' ' 5' ' ' TYR . 1.9 mp0 -49.67 -63.72 1.02 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.84 -178.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.7 mtt-85 . . . . . 0 C--N 1.326 -0.421 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.8 p30 . . . . . 0 CA--C 1.527 0.062 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -137.26 136.13 37.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.397 0.617 . . . . 0.0 111.656 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.7 t -134.57 135.56 53.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.7 ttp -119.42 116.32 25.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.193 0.521 . . . . 0.0 111.172 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.75 131.93 35.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.167 174.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.0 p -104.07 167.26 9.88 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.497 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 30.7 ttpt -55.19 -40.64 70.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.542 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -66.82 -27.8 67.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.845 -176.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.65 18.01 11.39 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.367 -0.921 . . . . 0.0 112.703 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -103.97 138.87 39.9 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 176.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 91.8 mmm -94.97 116.98 29.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.823 -174.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.6 mt -102.38 121.06 52.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.273 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -81.39 125.28 30.21 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 33' ' ' HIS . 12.5 p -117.97 143.7 46.15 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.454 0.645 . . . . 0.0 112.051 -173.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 29.5 t70 -75.62 -9.29 58.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 122.117 0.96 . . . . 0.0 108.525 171.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.48 179.73 18.75 Favored Glycine 0 CA--C 1.503 -0.667 0 CA-C-N 114.31 -1.313 . . . . 0.0 110.804 171.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' A' ' 20' ' ' LYS . 8.6 mtpm? 72.63 78.45 0.2 Allowed Pre-proline 0 C--N 1.342 0.279 0 C-N-CA 119.167 -1.013 . . . . 0.0 113.102 166.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -86.17 98.07 0.56 Allowed 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 122.459 2.106 . . . . 0.0 111.84 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.531 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 67.2 mm-40 -81.92 90.78 6.48 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.211 0.529 . . . . 0.0 110.719 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.556 HG12 HG23 ' A' ' 30' ' ' VAL . 18.1 mt -85.0 119.59 34.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.153 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.424 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 2.1 p30 -77.59 165.48 24.24 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -115.68 12.11 15.92 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.259 0.552 . . . . 0.0 110.679 177.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -75.1 -50.33 16.72 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 173.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.641 HG21 ' HG ' ' A' ' 29' ' ' LEU . 5.0 t -130.22 -26.81 2.3 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.377 177.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 24' ' ' ASP . . . 101.0 35.09 4.36 Favored Glycine 0 N--CA 1.441 -0.982 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.307 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.641 ' HG ' HG21 ' A' ' 27' ' ' THR . 64.0 mt -84.26 134.59 34.52 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.355 0.598 . . . . 0.0 110.232 176.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.556 HG23 HG12 ' A' ' 23' ' ' ILE . 44.5 t -91.61 102.69 13.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.32 -178.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.531 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . 12.0 m -84.09 103.94 13.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.066 0.46 . . . . 0.0 109.768 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.537 ' CE1' HG23 ' A' ' 42' ' ' ILE . 49.8 p90 -109.78 171.83 7.21 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.57 -175.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.444 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 34.0 m80 -109.54 115.32 29.69 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 173.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.683 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -66.48 164.35 16.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.653 0.263 . . . . 0.0 111.147 176.804 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -59.74 -30.82 69.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.491 0.662 . . . . 0.0 109.701 173.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.1 -3.3 38.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.162 -178.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.11 30.14 32.08 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.941 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.683 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 74.9 m-20 -97.08 140.77 31.1 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -179.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.64 92.4 4.09 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 176.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.508 ' HE2' ' OD2' ' A' ' 34' ' ' ASP . 21.0 mtm -121.21 169.32 10.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.368 -172.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.508 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . 22.9 mt-30 -125.06 123.3 39.49 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.465 0.172 . . . . 0.0 111.465 -172.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.537 HG23 ' CE1' ' A' ' 32' ' ' TYR . 5.9 pt -105.33 -179.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 170.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.12 144.31 25.6 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 121.218 -0.193 . . . . 0.0 111.001 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 44' ' ' ARG . 14.2 ptt85 -61.05 -31.98 71.62 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.595 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -75.98 -12.48 60.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.503 0.668 . . . . 0.0 110.181 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.497 ' HA ' ' HB2' ' A' ' 10' ' ' LYS . 1.1 m-20 -100.91 2.14 40.56 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.515 -175.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.476 HG21 HD12 ' A' ' 42' ' ' ILE . 12.6 t -82.43 108.49 15.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.0 t -93.08 -63.66 1.19 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.203 -174.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -147.81 144.5 28.23 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.586 HG22 HG21 ' A' ' 51' ' ' ILE . 59.1 mt -130.69 -74.28 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.834 0.35 . . . . 0.0 110.534 178.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.586 HG21 HG22 ' A' ' 50' ' ' ILE . 23.5 pt -128.44 -175.62 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.322 -177.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.52 159.03 16.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.625 -178.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.437 ' HD3' ' HA ' ' A' ' 53' ' ' ARG . 50.7 mmt-85 . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 121.738 0.78 . . . . 0.0 112.493 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.5 t70 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.402 ' HB2' ' O ' ' A' ' 17' ' ' THR . 85.3 m-85 -126.35 156.25 40.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.248 0.547 . . . . 0.0 111.481 -176.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.8 p -158.44 153.1 6.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.366 -0.833 . . . . 0.0 109.152 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -129.84 129.32 43.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.898 0.38 . . . . 0.0 110.075 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.41 117.13 29.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.718 -176.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.3 p -90.65 169.23 11.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.057 0.456 . . . . 0.0 111.373 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -77.59 -23.38 49.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.528 175.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.38 -40.79 98.19 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.834 176.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.59 -18.41 7.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.639 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -70.53 137.17 49.94 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 120.999 0.428 . . . . 0.0 110.489 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 92.0 mmm -101.02 95.13 6.37 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 177.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.1 mt -77.89 115.4 19.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.967 0.413 . . . . 0.0 110.927 -174.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.536 ' H ' HD23 ' A' ' 16' ' ' LEU . 2.1 mm? -71.9 121.15 18.55 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 176.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.441 HG22 ' CD2' ' A' ' 32' ' ' TYR . 16.8 p -117.37 151.52 36.86 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.857 0.36 . . . . 0.0 111.381 -175.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -75.67 -32.05 60.01 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 167.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.64 -166.19 26.6 Favored Glycine 0 CA--C 1.502 -0.761 0 CA-C-N 113.829 -1.532 . . . . 0.0 109.809 171.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 25.8 mmmt 72.95 79.7 0.18 Allowed Pre-proline 0 N--CA 1.455 -0.176 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 161.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -93.93 93.72 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 122.702 2.268 . . . . 0.0 111.735 173.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -86.44 99.1 11.41 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.555 HG12 HG23 ' A' ' 30' ' ' VAL . 53.5 mt -85.47 125.01 40.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.557 -172.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -98.83 107.2 19.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.506 173.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -72.85 -23.56 60.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.883 -171.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -63.2 -40.13 96.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.943 0.401 . . . . 0.0 111.016 -176.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 t -103.92 -29.25 11.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.717 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.03 39.03 6.22 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.515 -177.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.519 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 63.2 mt -119.25 149.69 41.34 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.555 HG23 HG12 ' A' ' 23' ' ' ILE . 98.0 t -112.28 114.52 47.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.833 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.51 ' HA ' ' O ' ' A' ' 40' ' ' MET . 19.1 m -85.29 101.13 12.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.159 177.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.52 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 26.9 p90 -107.15 162.12 14.16 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.174 -178.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -102.9 115.61 30.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.219 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.413 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -66.81 175.52 2.4 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -57.83 -29.14 64.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.099 -1.41 . . . . 0.0 110.554 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -90.51 -2.5 57.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.579 -177.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.99 17.34 59.61 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.033 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.413 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 94.1 m-20 -81.16 132.67 35.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.63 0.253 . . . . 0.0 111.018 -178.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.93 104.35 15.98 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.428 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.51 ' O ' ' HA ' ' A' ' 31' ' ' SER . 23.0 ptp -131.72 164.02 26.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.292 -179.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.519 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . 42.0 mt-30 -111.92 124.58 52.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.126 -175.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.537 HD11 HG21 ' A' ' 47' ' ' VAL . 6.3 pt -104.18 176.23 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 170.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -83.54 135.66 34.55 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.552 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.9 ttp85 -61.18 -33.13 72.94 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.065 0.459 . . . . 0.0 110.276 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -63.07 -27.26 69.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.935 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -83.86 -21.2 32.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.537 HG21 HD11 ' A' ' 42' ' ' ILE . 15.7 t -69.78 111.92 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.162 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.8 t -99.63 -64.29 1.05 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.409 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -142.98 179.21 7.17 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 41.0 mm -112.64 -77.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.074 0.464 . . . . 0.0 109.841 177.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.4 tt -115.29 155.86 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.364 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -67.6 156.88 35.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.21 0.529 . . . . 0.0 111.2 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.733 179.731 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 120.781 0.324 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.434 ' HD1' ' HB3' ' A' ' 52' ' ' GLU . 55.2 m-85 -129.94 142.03 50.7 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.904 179.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.512 ' H ' ' HG2' ' A' ' 52' ' ' GLU . 9.0 p -175.95 132.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 123.603 0.564 . . . . 0.0 109.858 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.51 ' HG2' HG12 ' A' ' 50' ' ' ILE . 14.6 tmm? -108.39 110.37 21.9 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.108 0.48 . . . . 0.0 109.908 -178.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.814 ' HB1' ' HB3' ' A' ' 49' ' ' GLN . . . -91.69 129.18 37.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.26 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.0 p -93.05 -179.97 5.26 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.691 0.757 . . . . 0.0 112.216 -174.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 46' ' ' ASP . 34.6 ttpt -55.04 -43.34 73.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.231 -1.35 . . . . 0.0 111.691 177.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.535 ' HB2' ' HG2' ' A' ' 13' ' ' ARG . 7.3 m-20 -63.74 -30.56 71.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.883 -176.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.38 -11.54 28.47 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.31 -175.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.535 ' HG2' ' HB2' ' A' ' 11' ' ' ASP . 20.5 ptt180 -71.27 132.26 44.66 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 176.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 87.3 mtp -98.4 117.4 32.74 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.454 -176.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.9 mt -97.68 126.76 50.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.459 -177.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.32 115.34 14.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.523 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 p -129.84 155.52 45.86 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.562 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -84.54 140.42 31.44 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 161.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.62 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -61.12 156.55 33.36 Favored Glycine 0 CA--C 1.499 -0.919 0 CA-C-O 118.69 -1.061 . . . . 0.0 113.235 -158.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.62 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 48.3 mtmt 92.83 76.69 0.03 OUTLIER Pre-proline 0 C--N 1.351 0.634 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 172.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -76.25 130.89 12.4 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 122.332 2.021 . . . . 0.0 111.271 173.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.34 107.41 18.81 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 59.8 mt -87.27 127.31 40.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.109 0.481 . . . . 0.0 111.078 -174.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.457 ' OD1' HG21 ' A' ' 27' ' ' THR . 10.2 t70 -93.81 113.5 25.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.672 177.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -87.52 6.5 33.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.949 -175.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -95.12 -52.81 4.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.848 0.356 . . . . 0.0 110.182 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.669 HG23 ' HG ' ' A' ' 29' ' ' LEU . 7.8 t -98.06 -18.05 18.77 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.979 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.41 33.43 13.92 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.377 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.669 ' HG ' HG23 ' A' ' 27' ' ' THR . 49.5 mt -106.5 162.57 13.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.814 0.34 . . . . 0.0 110.536 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.0 t -123.27 112.33 33.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.97 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 40' ' ' MET . 10.9 m -84.18 100.73 11.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.217 0.532 . . . . 0.0 110.586 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -97.54 177.59 5.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.513 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -124.72 132.73 53.36 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.957 0.408 . . . . 0.0 111.893 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.609 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -67.5 151.82 46.71 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.231 168.387 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -74.76 -7.92 54.84 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 170.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -83.27 -11.27 57.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.152 -1.386 . . . . 0.0 110.164 175.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.22 31.86 8.19 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.635 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.609 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 82.4 m-20 -113.58 128.25 56.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.91 0.386 . . . . 0.0 111.788 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.86 121.47 32.01 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 174.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.419 ' O ' ' HA ' ' A' ' 31' ' ' SER . 72.2 mtm -135.88 157.71 46.19 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -178.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -119.23 125.52 49.35 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.259 -175.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.504 HD12 ' HB2' ' A' ' 46' ' ' ASP . 4.8 pt -105.39 -179.45 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 169.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.424 ' HB2' ' OD2' ' A' ' 46' ' ' ASP . 62.1 m-80 -81.17 144.92 31.29 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.332 176.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -71.42 -11.16 60.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 122.059 0.933 . . . . 0.0 108.592 172.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -74.2 -21.1 59.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.238 -1.346 . . . . 0.0 110.061 172.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.504 ' HB2' HD12 ' A' ' 42' ' ' ILE . 68.9 m-20 -102.19 -12.83 17.74 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -173.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.452 HG13 HD13 ' A' ' 42' ' ' ILE . 12.7 m -79.2 158.68 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.159 175.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.2 t -152.56 -62.41 0.16 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.664 0.268 . . . . 0.0 111.656 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.814 ' HB3' ' HB1' ' A' ' 8' ' ' ALA . 27.6 tt0 -118.65 100.21 7.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.097 0.475 . . . . 0.0 110.963 -172.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.51 HG12 ' HG2' ' A' ' 7' ' ' MET . 66.2 mt -113.7 109.44 28.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.886 178.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.6 mt -102.53 -11.72 8.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.512 ' HG2' ' H ' ' A' ' 6' ' ' VAL . 26.1 mt-10 -52.83 -74.33 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.24 0.543 . . . . 0.0 110.596 -179.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 53' ' ' ARG . 35.1 ttp180 . . . . . 0 CA--C 1.533 0.325 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.312 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 121.152 0.501 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.456 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 14.7 t80 -151.11 -178.82 6.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.349 -175.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.4 p -134.41 140.77 45.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.838 0.351 . . . . 0.0 110.469 -176.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.9 ttp -124.79 115.75 21.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.449 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.44 119.54 31.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.817 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.2 p -97.78 -179.1 4.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.191 0.519 . . . . 0.0 111.834 -176.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -44.94 -41.43 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.789 -1.096 . . . . 0.0 111.745 176.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.551 ' HB2' ' HG2' ' A' ' 13' ' ' ARG . 1.5 m-20 -65.1 -21.27 66.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.331 -174.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.03 0.36 71.45 Favored Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -174.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.551 ' HG2' ' HB2' ' A' ' 11' ' ' ASP . 33.0 ptt180 -82.8 143.18 31.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.86 0.362 . . . . 0.0 110.334 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 63.4 mtt -98.06 104.2 16.22 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.002 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 67.0 mt -84.22 126.33 40.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.256 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.401 HD22 ' N ' ' A' ' 16' ' ' LEU . 3.1 mm? -77.45 122.28 24.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.936 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.478 HG22 ' CD2' ' A' ' 32' ' ' TYR . 56.2 p -123.0 158.61 30.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.392 -176.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.43 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 28.9 t70 -74.45 -11.58 60.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 122.304 1.05 . . . . 0.0 108.602 171.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.456 ' HA2' ' HB3' ' A' ' 5' ' ' TYR . . . 109.47 165.77 20.14 Favored Glycine 0 CA--C 1.499 -0.942 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.758 172.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt 72.71 78.46 0.2 Allowed Pre-proline 0 C--N 1.343 0.317 0 C-N-CA 118.647 -1.221 . . . . 0.0 111.981 166.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -81.64 119.69 3.38 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.341 2.027 . . . . 0.0 112.3 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -83.2 99.07 9.71 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mt -83.69 108.39 16.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.679 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.46 ' HB3' HG21 ' A' ' 27' ' ' THR . 2.5 m-20 -68.92 113.25 6.16 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -73.72 -27.42 61.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.573 -168.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -84.97 -52.51 5.93 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.439 -175.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.46 HG21 ' HB3' ' A' ' 24' ' ' ASP . 7.7 t -82.88 -29.41 29.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.725 0.298 . . . . 0.0 111.346 -176.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.02 24.15 30.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.688 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.459 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 60.5 mt -101.33 140.31 35.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.519 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 46.4 t -100.8 100.34 10.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 120.868 0.365 . . . . 0.0 110.317 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.9 m -85.82 109.56 18.76 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.156 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.565 ' OH ' ' HE1' ' A' ' 40' ' ' MET . 32.4 p90 -120.07 161.23 21.32 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.031 0.443 . . . . 0.0 111.128 -176.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.43 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 32.5 m170 -92.17 124.17 36.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.975 177.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.741 ' HB2' ' H ' ' A' ' 38' ' ' ASN . 8.8 m-20 -64.79 162.19 16.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.167 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -17.69 60.97 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 169.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -83.4 -13.3 55.19 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.982 176.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.01 29.81 8.31 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.094 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.741 ' H ' ' HB2' ' A' ' 34' ' ' ASP . 18.1 m-80 -108.6 -179.62 3.92 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 176.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -136.09 107.3 6.79 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.312 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.565 ' HE1' ' OH ' ' A' ' 32' ' ' TYR . 19.1 ptt? -135.3 169.51 17.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.758 0.313 . . . . 0.0 110.972 -179.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.519 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 20.0 mp0 -111.17 148.18 33.33 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -170.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.635 HD12 ' HB ' ' A' ' 47' ' ' VAL . 11.1 pt -120.97 -178.91 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 166.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -86.78 143.88 27.31 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -66.11 -25.56 67.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.048 0.451 . . . . 0.0 109.845 176.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.21 -28.32 61.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.065 0.46 . . . . 0.0 110.858 175.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -84.41 -20.27 32.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.797 -174.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.635 ' HB ' HD12 ' A' ' 42' ' ' ILE . 12.1 p -83.04 140.97 15.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 176.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.5 t -128.71 -73.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.812 -173.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -111.45 113.34 25.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.298 0.571 . . . . 0.0 112.01 -175.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.494 HD12 HG22 ' A' ' 47' ' ' VAL . 60.7 mt -118.34 -25.7 2.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.69 173.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.5 mt -108.04 -55.59 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.006 -173.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.592 ' O ' ' HG3' ' A' ' 53' ' ' ARG . 11.6 tp10 61.61 -93.02 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -169.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.592 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 17.2 mtt180 . . . . . 0 N--CA 1.471 0.589 0 C-N-CA 124.118 0.967 . . . . 0.0 109.121 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--O 1.234 0.239 0 CA-C-O 120.834 0.35 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -118.78 17.08 13.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 m 39.35 83.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 124.041 0.838 . . . . 0.0 112.125 -175.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -69.58 108.0 3.65 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.612 -175.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.25 126.81 33.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.486 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.62 ' OG1' ' HG3' ' A' ' 13' ' ' ARG . 27.6 p -95.39 166.47 11.86 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.064 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.4 ' HE2' ' HA ' ' A' ' 46' ' ' ASP . 36.6 ttpt -58.23 -31.38 67.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.899 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.47 -35.96 76.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.464 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.41 -10.04 11.69 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.069 -178.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.62 ' HG3' ' OG1' ' A' ' 9' ' ' THR . 5.7 ptt85 -73.76 124.5 26.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.194 0.521 . . . . 0.0 110.546 177.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.8 mmt -89.11 119.58 29.74 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.451 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.8 mt -105.56 124.51 60.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.856 0.36 . . . . 0.0 111.499 -176.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.48 116.22 9.65 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 174.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.499 HG21 ' CD2' ' A' ' 32' ' ' TYR . 12.7 p -130.0 150.56 51.22 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -169.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.736 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 21.6 t70 -63.77 156.03 28.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.919 167.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -78.95 73.03 2.37 Favored Glycine 0 N--CA 1.466 0.641 0 C-N-CA 119.848 -1.168 . . . . 0.0 112.444 -169.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 19.8 tttt 162.52 85.98 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.289 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -158.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -91.9 98.31 0.2 Allowed 'Trans proline' 0 N--CA 1.448 -1.15 0 C-N-CA 122.633 2.222 . . . . 0.0 110.655 169.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -80.09 95.44 6.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.406 0.622 . . . . 0.0 109.709 -173.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.457 HG12 HG23 ' A' ' 30' ' ' VAL . 39.5 mt -80.42 120.34 31.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.927 -175.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -104.59 93.37 4.73 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 174.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -75.42 -17.39 60.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.792 -172.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -55.18 -46.45 75.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.277 176.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 t -94.05 -29.22 15.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.201 175.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.47 32.67 6.84 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.676 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.6 mt -119.25 158.05 26.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.943 0.401 . . . . 0.0 110.476 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.495 HG21 HG23 ' A' ' 47' ' ' VAL . 87.8 t -118.82 110.19 29.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 175.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.1 m -88.34 105.41 17.55 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.264 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.512 ' CZ ' ' HG3' ' A' ' 40' ' ' MET . 42.7 p90 -113.03 175.35 5.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.777 0.322 . . . . 0.0 110.167 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.736 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 30.1 m80 -116.9 128.37 55.16 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 174.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.04 167.4 6.42 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.284 0.365 . . . . 0.0 111.275 176.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -62.61 -23.6 67.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.351 0.596 . . . . 0.0 109.634 171.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.423 ' HB2' ' ND2' ' A' ' 38' ' ' ASN . 63.2 mt-30 -73.85 -28.0 61.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.976 176.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.54 7.15 30.34 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.965 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.552 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 42.3 m-80 -76.84 148.89 36.27 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.997 0.398 . . . . 0.0 110.529 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.07 114.91 28.58 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 174.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 2.7 ptm -146.01 145.91 30.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.984 0.421 . . . . 0.0 111.18 -172.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -105.04 145.74 30.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.569 -173.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.508 HD12 HG22 ' A' ' 47' ' ' VAL . 11.9 pt -122.8 -178.97 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 165.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -83.8 142.12 30.88 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.354 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.403 ' HA ' HG22 ' A' ' 30' ' ' VAL . 4.7 tmm_? -65.03 -28.06 69.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.18 -178.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -87.08 -3.98 59.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.272 0.558 . . . . 0.0 110.619 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.4 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 25.7 t70 -93.27 -3.82 52.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.094 -178.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.508 HG22 HD12 ' A' ' 42' ' ' ILE . 2.8 t -86.19 150.34 3.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.158 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.4 t -126.92 -61.53 1.17 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.88 -0.146 . . . . 0.0 111.123 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.85 146.88 49.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 -176.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.2 mt -134.94 -57.11 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.475 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.0 pt -112.87 122.34 66.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.734 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -57.01 -70.69 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.504 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 . . . . . 0 C--N 1.325 -0.468 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.692 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.2 t70 . . . . . 0 CA--C 1.519 -0.234 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.519 ' CD2' HG21 ' A' ' 6' ' ' VAL . 39.7 p90 -168.76 -8.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.508 178.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.524 ' HB ' HD13 ' A' ' 51' ' ' ILE . 79.2 t -145.12 112.0 1.28 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.878 177.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.569 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 43.7 ttm -98.27 115.42 28.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.609 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.55 108.86 21.65 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.5 p -86.63 -179.34 6.58 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.295 0.569 . . . . 0.0 112.121 -174.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -62.81 -40.61 97.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.189 176.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -58.8 -38.51 78.74 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.263 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.27 -4.0 28.29 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.752 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -68.96 134.71 49.89 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-O 121.223 0.535 . . . . 0.0 110.429 176.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.3 tpt -93.68 100.11 12.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.481 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.569 ' HB ' ' HB3' ' A' ' 7' ' ' MET . 60.9 mt -86.84 119.08 34.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 120.833 0.349 . . . . 0.0 110.308 -178.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.92 91.04 4.15 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.464 ' HA ' ' O ' ' A' ' 33' ' ' HIS . 6.0 p -87.25 134.53 33.53 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -178.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -56.26 -39.94 73.4 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 155.19 142.42 3.43 Favored Glycine 0 CA--C 1.504 -0.651 0 CA-C-N 114.491 -1.231 . . . . 0.0 111.313 161.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.9 tttt 79.49 95.42 0.04 OUTLIER Pre-proline 0 C--N 1.349 0.582 0 C-N-CA 118.767 -1.173 . . . . 0.0 112.325 166.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.6 126.85 10.5 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.67 2.247 . . . . 0.0 111.687 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 5.6 tp10 -85.64 97.95 10.4 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 176.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.421 HG22 HG23 ' A' ' 30' ' ' VAL . 45.2 mt -91.29 116.29 32.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 -173.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -89.46 101.42 14.1 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 171.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -72.84 -28.89 62.8 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.537 -167.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -67.39 -46.03 74.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.285 -177.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.551 HG22 ' HG ' ' A' ' 29' ' ' LEU . 8.1 t -94.23 -17.89 22.24 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.84 30.79 31.08 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.2 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.551 ' HG ' HG22 ' A' ' 27' ' ' THR . 61.6 mt -108.95 136.69 48.07 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.548 ' HB ' HG13 ' A' ' 42' ' ' ILE . 60.0 t -114.23 105.42 18.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 120.838 0.352 . . . . 0.0 110.43 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.538 ' HB3' ' HB3' ' A' ' 22' ' ' GLU . 21.4 t -84.44 101.68 12.21 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.482 0.658 . . . . 0.0 110.223 -179.187 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.633 ' CE1' HG23 ' A' ' 42' ' ' ILE . 4.6 p90 -97.35 172.73 7.59 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.866 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.464 ' O ' ' HA ' ' A' ' 17' ' ' THR . 37.2 m80 -129.51 114.28 15.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.015 -177.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.804 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -60.96 160.54 9.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.26 0.553 . . . . 0.0 112.127 176.645 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -61.12 -27.96 68.76 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.568 169.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -72.91 -19.42 61.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.585 176.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.83 18.77 19.39 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.835 -0.698 . . . . 0.0 111.909 -176.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.804 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 84.2 m-20 -81.57 115.15 20.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.486 0.184 . . . . 0.0 110.645 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.67 91.51 8.69 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 173.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.537 ' O ' ' HA ' ' A' ' 31' ' ' SER . 77.3 mtm -115.35 176.27 5.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.174 -175.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -131.87 121.84 24.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.989 0.424 . . . . 0.0 111.784 -174.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.636 HD11 ' HB ' ' A' ' 47' ' ' VAL . 17.7 pt -100.35 -178.84 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 171.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.416 HD21 ' HA ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -88.55 145.51 25.68 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.842 0.353 . . . . 0.0 110.567 175.259 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -64.32 -18.28 64.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.508 0.671 . . . . 0.0 109.91 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -88.11 -15.71 35.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.863 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.56 -32.11 15.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.978 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.636 ' HB ' HD11 ' A' ' 42' ' ' ILE . 14.8 p -70.76 144.62 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 176.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.0 t -137.21 -66.83 0.5 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.811 0.338 . . . . 0.0 111.21 -175.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.568 ' HA ' HE21 ' A' ' 49' ' ' GLN . 0.0 OUTLIER -114.6 118.65 34.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.134 0.493 . . . . 0.0 111.811 -174.731 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.403 HG23 ' N ' ' A' ' 51' ' ' ILE . 43.0 mm -104.15 162.76 4.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 170.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.524 HD13 ' HB ' ' A' ' 6' ' ' VAL . 33.4 mt -84.21 68.15 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 174.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -62.13 -40.69 96.77 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.952 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.417 ' HA ' ' HD2' ' A' ' 53' ' ' ARG . 6.6 tpt180 . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.463 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.633 0.254 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.497 ' HB2' ' O ' ' A' ' 17' ' ' THR . 19.7 m-85 -67.25 130.76 44.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.884 -176.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.483 ' HB ' ' SD ' ' A' ' 14' ' ' MET . 14.1 m -130.13 145.01 36.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 120.996 0.426 . . . . 0.0 111.328 -175.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 56.5 ttp -135.07 109.05 8.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.869 177.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.811 ' HB1' ' HB2' ' A' ' 49' ' ' GLN . . . -89.59 121.56 31.91 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.321 -0.4 . . . . 0.0 109.958 178.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.0 p -85.86 178.07 7.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.972 -178.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 34.7 ttpt -63.06 -22.08 66.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.727 -178.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -65.46 -34.07 77.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.761 174.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.42 -4.28 33.02 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.258 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.415 ' O ' ' HA ' ' A' ' 8' ' ' ALA . 17.3 ptp180 -76.93 133.4 39.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.825 0.345 . . . . 0.0 110.154 177.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.483 ' SD ' ' HB ' ' A' ' 6' ' ' VAL . 52.6 tpp -89.16 100.13 12.98 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 177.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.3 mt -81.33 122.09 35.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.877 -178.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.437 ' H ' HD23 ' A' ' 16' ' ' LEU . 2.0 mm? -75.38 107.71 7.68 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' A' ' 5' ' ' TYR . 6.1 p -110.91 142.58 42.8 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -169.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.934 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 15.9 t70 -71.86 126.69 30.38 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 159.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.633 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -59.4 159.33 20.57 Favored Glycine 0 CA--C 1.502 -0.775 0 CA-C-O 118.149 -1.362 . . . . 0.0 111.805 -166.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.633 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 60.6 mttp 91.61 76.98 0.04 OUTLIER Pre-proline 0 C--N 1.354 0.792 0 CA-C-N 117.975 0.887 . . . . 0.0 112.268 176.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -88.04 126.73 2.08 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 122.681 2.254 . . . . 0.0 111.949 176.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.58 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 10.6 mm-40 -85.34 105.74 16.22 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.425 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.0 mt -86.76 104.31 13.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.407 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -85.02 139.35 31.84 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.712 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -109.93 9.66 24.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.92 0.391 . . . . 0.0 111.346 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -86.12 -55.22 4.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.273 0.559 . . . . 0.0 110.291 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.767 HG21 ' HG ' ' A' ' 29' ' ' LEU . 5.0 t -112.12 -12.35 13.68 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.046 177.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.4 34.0 18.14 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.051 177.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.767 ' HG ' HG21 ' A' ' 27' ' ' THR . 55.8 mt -101.39 141.2 34.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.983 0.42 . . . . 0.0 110.812 178.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.2 t -106.46 106.9 21.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.729 176.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.58 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . 5.6 m -81.63 130.56 35.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.721 -177.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.428 ' CE1' HG22 ' A' ' 42' ' ' ILE . 31.2 p90 -140.75 165.17 28.24 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.934 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 20.2 m170 -110.25 133.92 52.76 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.33 170.71 15.83 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 174.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.31 -28.88 68.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.962 0.411 . . . . 0.0 110.636 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -66.01 -32.23 73.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.565 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.22 -5.92 21.57 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.689 -0.767 . . . . 0.0 113.009 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -76.83 150.74 36.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.968 0.413 . . . . 0.0 110.738 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.46 118.93 37.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.883 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.412 ' O ' ' HA ' ' A' ' 31' ' ' SER . 74.7 mtm -122.3 171.33 9.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.543 179.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.625 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . 49.0 mt-30 -137.16 116.96 13.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.887 -0.142 . . . . 0.0 110.897 -175.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.454 HD13 HG21 ' A' ' 47' ' ' VAL . 19.2 pt -91.61 -179.71 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.78 148.45 22.11 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.06 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -56.03 -40.0 72.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.126 177.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -75.42 0.05 18.32 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.532 -177.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.439 ' OD1' ' HB3' ' A' ' 10' ' ' LYS . 25.0 t70 -112.17 -0.57 15.52 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.094 0.473 . . . . 0.0 110.926 -174.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.454 HG21 HD13 ' A' ' 42' ' ' ILE . 6.4 t -81.6 109.49 15.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.9 t -109.01 -78.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -173.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.811 ' HB2' ' HB1' ' A' ' 8' ' ' ALA . 71.9 mm-40 -109.21 111.78 23.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.685 0.278 . . . . 0.0 111.242 -171.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.8 mt -111.75 -69.27 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.919 0.39 . . . . 0.0 110.062 175.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.2 tt -129.93 -11.43 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.666 -174.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -72.57 164.87 25.75 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.056 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.9 mtt85 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.914 -169.67 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 . . . . . 0 CA--C 1.515 -0.39 0 CA-C-O 120.904 0.383 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.414 ' O ' HG12 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -114.5 -69.59 0.85 Allowed 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 169.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.615 HG21 HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER 70.46 159.07 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 O-C-N 123.986 0.804 . . . . 0.0 111.659 172.493 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 58.9 ttp -127.18 102.46 6.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.104 0.478 . . . . 0.0 110.339 177.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.76 ' HB1' ' HB2' ' A' ' 49' ' ' GLN . . . -72.71 135.02 45.29 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 174.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.467 HG21 ' O ' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -127.67 155.55 43.76 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 120.863 0.363 . . . . 0.0 111.252 -173.578 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.834 ' HE3' ' HA ' ' A' ' 46' ' ' ASP . 27.6 ttpp -60.52 -44.22 96.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.199 -175.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -76.76 29.55 0.13 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.963 0.411 . . . . 0.0 111.858 -173.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.437 ' H ' ' C ' ' A' ' 10' ' ' LYS . . . 70.5 68.59 1.59 Allowed Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 116.236 -0.438 . . . . 0.0 113.07 173.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.18 142.8 7.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.049 0.452 . . . . 0.0 110.802 176.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -111.65 87.82 2.65 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 170.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.5 mt -73.88 123.61 29.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.085 -171.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.615 HD12 HG21 ' A' ' 6' ' ' VAL . 4.1 mm? -68.47 109.72 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 174.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.8 p -131.25 157.04 44.31 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.31 -170.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 1.027 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 20.9 t70 -68.41 109.67 3.78 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 164.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.32 95.36 0.51 Allowed Glycine 0 N--CA 1.467 0.713 0 C-N-CA 121.027 -0.606 . . . . 0.0 113.2 -163.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 21' ' ' PRO . 7.5 mttp 157.86 65.62 0.0 OUTLIER Pre-proline 0 C--O 1.233 0.185 0 O-C-N 124.252 0.619 . . . . 0.0 112.154 -160.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 20' ' ' LYS . 6.4 Cg_endo -86.92 154.92 8.56 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.668 2.245 . . . . 0.0 111.549 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.08 110.93 18.23 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.071 0.462 . . . . 0.0 110.364 178.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.52 HG12 HG21 ' A' ' 30' ' ' VAL . 46.1 mt -88.41 100.61 10.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.132 177.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -70.12 125.16 25.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.004 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -73.69 -28.95 62.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.58 -169.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -72.42 -55.05 7.68 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.484 -175.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.6 t -84.94 -23.32 28.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.58 0.228 . . . . 0.0 111.377 -178.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.19 40.97 27.81 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.723 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 23' ' ' ILE . 79.1 mt -115.44 152.39 32.99 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.672 0.272 . . . . 0.0 110.459 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.52 HG21 HG12 ' A' ' 23' ' ' ILE . 47.8 t -106.23 102.06 13.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.052 178.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.595 ' HA ' ' O ' ' A' ' 40' ' ' MET . 15.9 m -87.23 106.84 18.18 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.631 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.429 ' CE1' ' HB2' ' A' ' 40' ' ' MET . 32.6 p90 -109.51 167.72 9.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.799 0.333 . . . . 0.0 110.702 -179.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 1.027 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 27.4 m170 -105.82 134.84 48.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.24 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.434 ' HB2' ' H ' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -64.28 158.67 22.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.377 178.15 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -62.94 -28.54 70.14 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 169.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -76.34 -23.28 54.2 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.86 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.62 21.72 7.4 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.897 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.434 ' H ' ' HB2' ' A' ' 34' ' ' ASP . 18.0 m-80 -96.76 -172.61 2.52 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -140.14 128.7 22.9 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.485 -0.191 . . . . 0.0 110.485 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.595 ' O ' ' HA ' ' A' ' 31' ' ' SER . 39.9 mtt -122.24 159.58 27.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.373 178.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.406 ' HG2' ' OG ' ' A' ' 31' ' ' SER . 49.0 mt-30 -116.51 108.19 15.69 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 176.198 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.536 HD11 ' HB ' ' A' ' 47' ' ' VAL . 6.9 pt -101.15 -179.96 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.847 0.356 . . . . 0.0 110.499 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -78.75 141.33 37.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.5 ' O ' HG13 ' A' ' 47' ' ' VAL . 35.3 ttp180 -58.91 -40.95 86.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.064 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.92 -19.25 60.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.642 -177.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.834 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 37.2 t70 -84.77 -32.79 23.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.443 -174.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.536 ' HB ' HD11 ' A' ' 42' ' ' ILE . 11.1 p -65.48 143.15 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 176.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.1 t -118.97 -68.52 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.581 -174.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.76 ' HB2' ' HB1' ' A' ' 8' ' ' ALA . 53.8 mt-30 -130.02 149.24 51.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 111.333 -176.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.0 mm -105.4 -16.25 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 172.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.8 mt 57.65 48.91 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 114.561 -1.199 . . . . 0.0 110.622 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -71.03 108.46 4.6 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.49 175.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 121.21 0.529 . . . . 0.0 111.667 -177.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 121.797 0.808 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.557 ' CD1' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -129.15 -172.03 2.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.666 -176.772 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.557 HG23 ' CD1' ' A' ' 5' ' ' TYR . 83.4 t 73.14 120.17 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 O-C-N 123.837 0.711 . . . . 0.0 111.28 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.425 ' HE1' HD13 ' A' ' 15' ' ' ILE . 57.3 ttp -122.16 109.88 15.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.444 -179.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.03 125.48 34.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.945 176.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 p -119.25 -177.49 3.36 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -173.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -28.12 -59.81 0.11 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.148 1.379 . . . . 0.0 114.336 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.561 ' HB2' ' HD2' ' A' ' 13' ' ' ARG . 31.1 m-20 -76.24 5.84 6.35 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -170.203 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.29 29.4 70.27 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -175.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.561 ' HD2' ' HB2' ' A' ' 11' ' ' ASP . 10.8 ptm180 -96.34 129.72 43.61 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -177.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 86.4 mmm -87.31 95.7 10.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.831 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.425 HD13 ' HE1' ' A' ' 7' ' ' MET . 59.0 mt -79.91 111.33 16.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.918 0.39 . . . . 0.0 110.105 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.8 mt -77.6 94.76 4.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.471 0.653 . . . . 0.0 110.508 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.4 p -97.29 160.25 14.44 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.602 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -60.81 -40.7 93.71 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 169.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.81 170.88 12.65 Favored Glycine 0 CA--C 1.501 -0.793 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.488 166.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.5 mttt 67.78 75.1 0.3 Allowed Pre-proline 0 C--O 1.235 0.34 0 C-N-CA 118.594 -1.242 . . . . 0.0 113.164 162.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -82.98 145.93 12.65 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.542 2.161 . . . . 0.0 112.373 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.476 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 26.5 tt0 -99.86 111.37 23.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.444 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mt -82.46 102.75 8.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -70.12 143.58 52.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.805 -175.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -90.06 -23.53 21.41 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.236 -178.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -70.55 -64.16 0.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.079 -177.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.657 HG21 ' HG ' ' A' ' 29' ' ' LEU . 5.9 t -108.51 -3.98 17.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.945 0.402 . . . . 0.0 111.31 -176.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.57 28.94 62.4 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.171 174.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.657 ' HG ' HG21 ' A' ' 27' ' ' THR . 55.3 mt -99.38 141.67 31.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.795 0.331 . . . . 0.0 110.215 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 47.9 t -93.01 100.41 11.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.495 -178.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.48 ' HA ' ' HG3' ' A' ' 41' ' ' GLN . 3.5 m -75.53 115.14 14.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.369 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.54 ' CE1' HG23 ' A' ' 42' ' ' ILE . 42.0 p90 -121.43 173.39 7.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.014 0.435 . . . . 0.0 110.876 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -127.11 111.76 14.39 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.814 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.76 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 45.7 m-20 -62.34 152.27 34.38 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 173.144 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -62.63 -18.74 62.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.282 0.563 . . . . 0.0 110.129 173.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -84.97 0.88 49.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.956 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.85 11.93 58.45 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.891 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.76 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 90.6 m-20 -81.84 113.23 19.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.763 0.316 . . . . 0.0 111.191 -177.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -96.47 107.13 19.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.103 175.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.6 ptt? -156.29 179.7 8.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.464 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.48 ' HG3' ' HA ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -126.36 159.44 33.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.851 0.358 . . . . 0.0 111.792 -170.384 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.54 HG23 ' CE1' ' A' ' 32' ' ' TYR . 7.3 pt -121.36 -179.87 2.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 165.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.508 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 61.3 t30 -88.58 143.19 27.11 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 110.53 -0.174 . . . . 0.0 110.53 178.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -66.98 -17.89 65.13 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.07 0.462 . . . . 0.0 111.182 -178.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.464 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 31.5 t70 -82.24 -17.86 44.53 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.086 0.47 . . . . 0.0 110.412 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.508 ' OD1' ' HB3' ' A' ' 43' ' ' ASN . 6.1 m-20 -99.79 9.92 42.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.44 -175.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.516 HG23 HD12 ' A' ' 42' ' ' ILE . 13.1 t -85.94 128.22 39.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.065 178.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.2 t -91.11 -68.88 0.76 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -179.49 147.85 0.32 Allowed 'General case' 0 C--O 1.232 0.142 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.7 mm -82.01 117.26 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 174.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.2 tt -110.59 122.33 64.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.354 0.597 . . . . 0.0 110.95 -175.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -87.0 49.62 1.86 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.454 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.111 179.283 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.8 t70 . . . . . 0 N--CA 1.467 0.391 0 CA-C-O 121.541 0.686 . . . . 0.0 110.736 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.483 ' O ' HG11 ' A' ' 6' ' ' VAL . 78.1 t80 -160.5 112.22 1.93 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.612 -179.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.483 HG11 ' O ' ' A' ' 5' ' ' TYR . 0.3 OUTLIER 65.43 154.82 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.769 0.828 . . . . 0.0 111.52 -177.119 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.446 ' HE2' HD12 ' A' ' 15' ' ' ILE . 57.9 ttp -132.75 131.3 41.03 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.048 -0.408 . . . . 0.0 111.135 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.13 119.95 41.07 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.959 176.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 46' ' ' ASP . 34.8 p -94.34 -179.66 4.99 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.764 -176.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -48.65 -48.76 39.44 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.827 0.851 . . . . 0.0 112.443 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -66.93 -21.61 65.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.746 -173.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.22 8.38 44.4 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.971 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -84.65 141.86 30.32 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 86.1 mtp -102.62 112.82 25.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.983 0.421 . . . . 0.0 110.236 -177.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.446 HD12 ' HE2' ' A' ' 7' ' ' MET . 63.0 mt -89.28 131.85 35.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.067 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 16' ' ' LEU . 3.5 mm? -80.95 83.99 6.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.56 0.695 . . . . 0.0 110.48 -176.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.562 HG23 ' CD2' ' A' ' 32' ' ' TYR . 29.6 p -81.63 156.2 25.25 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.611 -177.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.45 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 11.4 t70 -78.35 -24.48 46.44 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 165.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.66 -165.87 22.04 Favored Glycine 0 CA--C 1.499 -0.953 0 CA-C-N 113.385 -1.734 . . . . 0.0 109.016 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 20' ' ' LYS . 3.3 mptp? 69.46 73.49 0.3 Allowed Pre-proline 0 CA--C 1.531 0.226 0 CA-C-N 118.448 1.124 . . . . 0.0 112.896 162.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -87.47 93.63 0.47 Allowed 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.338 2.025 . . . . 0.0 111.859 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 29.3 tt0 -81.57 95.59 7.19 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.056 -178.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.459 HG12 HG23 ' A' ' 30' ' ' VAL . 28.5 mt -69.81 103.26 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -70.0 123.14 20.78 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.368 -175.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -76.98 -23.83 52.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.069 -173.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -79.4 -56.8 4.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.084 -178.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.2 p -83.31 -30.03 27.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 -176.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.482 ' O ' ' HB2' ' A' ' 44' ' ' ARG . . . 90.11 5.19 70.74 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.787 -177.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.595 ' HG ' ' HA ' ' A' ' 43' ' ' ASN . 10.8 mp -100.73 152.52 20.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.884 0.373 . . . . 0.0 111.024 -178.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 96.2 t -91.52 111.17 23.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.659 -178.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.459 ' HB2' ' HB3' ' A' ' 22' ' ' GLU . 4.8 m -84.7 106.97 16.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.799 177.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.562 ' CD2' HG23 ' A' ' 17' ' ' THR . 23.1 p90 -118.54 166.06 13.17 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.68 -175.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.45 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 29.6 m170 -107.78 133.67 51.84 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.79 175.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.544 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 5.1 m-20 -80.82 145.33 31.47 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 169.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -75.06 -8.75 57.42 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 172.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.463 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 7.5 tt0 -68.32 -26.3 65.55 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.361 170.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.08 21.85 5.47 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.003 -0.617 . . . . 0.0 112.697 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.544 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 88.5 m-20 -110.03 163.2 13.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.961 0.41 . . . . 0.0 111.265 -177.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -140.38 119.97 13.25 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 173.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.2 ptp -153.65 169.2 23.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.65 0.262 . . . . 0.0 110.62 -175.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.505 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . 21.2 mt-30 -112.99 126.97 56.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.047 -176.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.692 HD11 ' HB ' ' A' ' 47' ' ' VAL . 3.5 pt -102.85 166.36 2.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 172.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.595 ' HA ' ' HG ' ' A' ' 29' ' ' LEU . 62.0 t30 -76.58 152.88 35.78 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 120.822 0.344 . . . . 0.0 111.666 -174.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.482 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 9.0 tpt180 -60.9 -36.14 78.47 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 121.26 0.552 . . . . 0.0 110.133 177.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -80.2 -9.73 59.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.438 ' O ' ' HB ' ' A' ' 9' ' ' THR . 33.6 t70 -90.06 -36.15 15.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.632 -176.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.692 ' HB ' HD11 ' A' ' 42' ' ' ILE . 13.2 p -72.64 144.26 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.83 -0.434 . . . . 0.0 109.83 176.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.1 t -130.8 -65.49 0.79 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.408 -176.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -135.45 141.64 45.42 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -171.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 50.7 mm -109.59 142.27 22.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 169.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.8 tt -78.27 111.88 15.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.418 0.628 . . . . 0.0 111.179 -176.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -92.12 -177.6 4.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.048 175.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 . . . . . 0 C--N 1.325 -0.459 0 CA-C-O 120.936 0.398 . . . . 0.0 111.224 -177.662 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.5 t70 . . . . . 0 CA--C 1.518 -0.27 0 CA-C-O 121.175 0.512 . . . . 0.0 110.104 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -126.13 162.34 25.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.948 173.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 p -169.14 162.51 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 -176.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 59.9 ttp -144.96 116.2 7.96 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.06 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.67 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . . . -91.02 122.05 33.35 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.5 ' HB ' ' O ' ' A' ' 46' ' ' ASP . 62.2 p -92.25 -177.63 4.71 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.932 0.396 . . . . 0.0 111.837 -176.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.82 ' HB3' ' HZ1' ' A' ' 10' ' ' LYS . 6.1 ttpm? -41.6 -46.39 3.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.832 -1.076 . . . . 0.0 112.276 -178.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.47 4.1 22.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.846 -170.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.75 2.75 90.64 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.448 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -83.59 136.87 34.08 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 67.0 mtt -92.06 118.94 31.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.489 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.4 mm -84.93 129.62 37.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.43 65.46 5.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.382 0.61 . . . . 0.0 110.634 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 33' ' ' HIS . 35.1 p -73.62 134.77 43.74 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.75 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -56.99 -38.26 72.79 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 172.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.96 175.45 23.66 Favored Glycine 0 CA--C 1.499 -0.926 0 CA-C-O 118.958 -0.912 . . . . 0.0 111.532 164.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt 71.94 71.52 0.28 Allowed Pre-proline 0 N--CA 1.454 -0.27 0 C-N-CA 118.697 -1.201 . . . . 0.0 113.249 164.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -82.16 105.52 1.48 Allowed 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 122.364 2.043 . . . . 0.0 111.389 176.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -82.93 108.87 16.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.573 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.525 HG12 HG22 ' A' ' 30' ' ' VAL . 52.3 mt -78.89 116.88 23.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.704 -178.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -71.01 94.92 1.13 Allowed 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 174.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -66.44 -19.28 65.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.313 -172.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.22 -48.04 83.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.468 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.7 HG21 ' HG ' ' A' ' 29' ' ' LEU . 9.1 t -116.14 -26.27 7.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.737 -175.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.24 34.21 4.6 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.5 -177.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.7 ' HG ' HG21 ' A' ' 27' ' ' THR . 63.0 mt -101.01 161.19 13.77 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 175.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.525 HG22 HG12 ' A' ' 23' ' ' ILE . 60.1 t -121.5 110.35 27.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.021 0.438 . . . . 0.0 110.61 178.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 40' ' ' MET . 66.9 m -78.04 101.89 7.16 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.2 177.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.48 ' CZ ' ' HE2' ' A' ' 40' ' ' MET . 6.4 p90 -116.69 153.89 31.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 -176.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.571 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 32.5 m170 -109.05 123.15 48.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.683 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.66 163.95 13.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.701 174.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -74.46 58.79 0.78 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.904 0.859 . . . . 0.0 110.99 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.513 ' HB3' ' HB2' ' A' ' 38' ' ' ASN . 22.0 tp60 -150.15 7.39 0.61 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.749 -1.114 . . . . 0.0 108.823 176.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.66 43.8 91.14 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 109.028 -1.629 . . . . 0.0 109.028 -167.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.571 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 9.4 t-20 -111.63 114.3 27.25 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.804 -0.698 . . . . 0.0 110.64 -167.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.94 107.73 18.66 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.48 ' HE2' ' CZ ' ' A' ' 32' ' ' TYR . 68.1 mtm -127.02 161.79 27.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.617 -177.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -120.1 111.71 18.2 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.424 HG22 ' HB ' ' A' ' 30' ' ' VAL . 7.9 tp -105.64 141.1 21.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.577 -177.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -62.54 146.21 52.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.044 0.45 . . . . 0.0 111.618 -176.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -59.47 -25.81 64.71 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.09 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -83.77 -9.27 58.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.886 0.375 . . . . 0.0 111.029 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.5 ' O ' ' HB ' ' A' ' 9' ' ' THR . 11.5 m-20 -97.79 -22.79 16.2 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.863 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.2 m -85.11 163.14 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 171.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.6 t -151.45 -78.94 0.12 Allowed 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.226 -0.59 . . . . 0.0 112.056 -176.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.67 ' HB2' ' HB2' ' A' ' 8' ' ' ALA . 10.2 mm100 -103.23 116.8 33.16 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.029 0.442 . . . . 0.0 112.165 -167.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.9 mt -141.01 17.2 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.47 176.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.434 HG23 ' H ' ' A' ' 53' ' ' ARG . 4.9 mp -125.25 -66.98 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.521 -174.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.573 ' OE1' ' HB3' ' A' ' 49' ' ' GLN . 0.0 OUTLIER 56.39 34.49 24.28 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.828 176.665 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.434 ' H ' HG23 ' A' ' 51' ' ' ILE . 25.5 ttm180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 114.57 -1.195 . . . . 0.0 111.789 174.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.232 0.17 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.585 ' HB2' ' O ' ' A' ' 17' ' ' THR . 19.8 p90 -81.6 69.93 8.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.763 0.792 . . . . 0.0 111.994 -174.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -163.3 128.38 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.88 176.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.3 ttp -130.8 127.97 39.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.326 -174.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.438 ' HB2' ' SD ' ' A' ' 14' ' ' MET . . . -98.08 127.82 44.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.982 176.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.9 p -113.09 -176.69 2.95 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.85 -176.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.568 ' HZ2' ' HB3' ' A' ' 10' ' ' LYS . 5.6 ttpm? -29.14 -55.02 0.13 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.85 1.26 . . . . 0.0 112.994 174.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.412 ' HB2' ' HG2' ' A' ' 13' ' ' ARG . 2.1 m-20 -68.9 -7.79 38.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.389 -171.05 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.16 16.25 80.69 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -174.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 8' ' ' ALA . 9.0 ptp180 -88.26 142.8 27.45 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.438 ' SD ' ' HB2' ' A' ' 8' ' ' ALA . 26.4 mmt -97.4 103.27 15.19 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.493 178.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mt -83.67 111.96 20.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.82 77.69 1.6 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.95 177.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.585 ' O ' ' HB2' ' A' ' 5' ' ' TYR . 71.8 p -69.31 155.85 39.75 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.644 -178.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.52 -35.08 79.37 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 171.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.89 169.53 15.12 Favored Glycine 0 CA--C 1.505 -0.583 0 CA-C-N 114.432 -1.258 . . . . 0.0 110.621 168.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.5 mttt 73.76 90.39 0.07 OUTLIER Pre-proline 0 C--N 1.347 0.48 0 CA-C-N 118.573 1.187 . . . . 0.0 114.005 163.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -90.34 108.61 0.36 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.751 2.301 . . . . 0.0 111.852 173.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -91.7 104.22 16.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.0 mt -75.89 113.45 14.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.752 -177.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -82.01 106.72 14.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.693 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -66.18 -22.68 66.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.262 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.36 -68.37 0.28 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.415 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.441 HG23 ' HG ' ' A' ' 29' ' ' LEU . 3.7 t -96.39 -9.48 29.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.983 -172.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.18 37.53 32.03 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.033 -1.08 . . . . 0.0 110.955 -177.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.441 ' HG ' HG23 ' A' ' 27' ' ' THR . 41.9 mt -121.9 177.45 5.29 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.595 HG22 ' HA ' ' A' ' 44' ' ' ARG . 70.3 t -128.62 114.98 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.551 0.215 . . . . 0.0 110.772 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.9 m -80.32 99.87 8.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.197 175.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.402 ' HH ' ' HE2' ' A' ' 40' ' ' MET . 8.6 p90 -101.81 177.17 4.98 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.6 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 68.7 m80 -117.95 122.5 43.43 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 178.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.65 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -54.85 175.49 0.06 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 177.442 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -62.42 -30.62 71.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.515 -1.221 . . . . 0.0 108.681 169.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.487 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 59.5 mm-40 -84.13 -13.72 52.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.87 178.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.37 0.53 47.11 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.882 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.65 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 84.1 m-20 -56.86 129.59 42.1 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 122.393 0.277 . . . . 0.0 111.635 -178.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.48 100.96 11.08 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 171.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.402 ' HE2' ' HH ' ' A' ' 32' ' ' TYR . 37.5 mtp -128.5 146.65 50.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.267 -173.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 24.2 mt-30 -101.81 124.09 46.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.225 -175.216 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.53 HD11 HG22 ' A' ' 47' ' ' VAL . 13.2 pt -107.39 178.33 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 171.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.956 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 9.7 t30 -75.64 128.31 34.96 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 110.197 -0.298 . . . . 0.0 110.197 -178.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.595 ' HA ' HG22 ' A' ' 30' ' ' VAL . 49.8 ttp180 -54.18 -43.52 70.77 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.206 0.527 . . . . 0.0 111.402 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -86.41 7.63 24.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.925 -176.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.956 ' HB2' ' HB3' ' A' ' 43' ' ' ASN . 8.0 t70 -95.39 -19.72 19.69 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.53 HG22 HD11 ' A' ' 42' ' ' ILE . 3.8 t -68.31 107.54 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.453 177.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.7 t -86.21 -48.81 8.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.529 -172.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -164.12 137.94 5.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 110.882 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.63 105.37 18.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 170.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.9 pt -74.39 110.55 8.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.33 0.586 . . . . 0.0 110.12 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -123.2 131.68 53.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.477 -174.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.0 ttp85 . . . . . 0 CA--C 1.54 0.578 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.262 174.044 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.7 t70 . . . . . 0 N--CA 1.462 0.143 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.577 ' HB2' ' O ' ' A' ' 17' ' ' THR . 73.4 m-85 -101.6 131.51 47.76 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.264 0.554 . . . . 0.0 111.145 -177.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -140.05 131.27 31.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.475 178.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.477 ' SD ' HG21 ' A' ' 47' ' ' VAL . 16.3 tmm? -96.93 117.16 30.51 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 48' ' ' SER . . . -91.9 126.79 37.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.006 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.0 p -95.49 165.41 12.36 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.061 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -78.47 -18.39 54.92 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 172.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -63.13 -42.69 99.54 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.354 174.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.33 -23.5 5.75 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.733 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -70.22 143.45 52.18 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.098 0.475 . . . . 0.0 111.277 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.5 mmt -110.26 119.47 39.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.727 178.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.447 HG23 ' CE2' ' A' ' 32' ' ' TYR . 72.8 mt -108.99 126.21 66.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.887 -178.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.28 137.09 52.75 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.577 ' O ' ' HB2' ' A' ' 5' ' ' TYR . 13.3 p -141.18 169.39 17.7 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.373 -176.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -90.26 -4.9 56.89 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 164.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.567 ' H ' ' HB ' ' A' ' 17' ' ' THR . . . 108.38 -169.85 14.54 Favored Glycine 0 CA--C 1.501 -0.785 0 CA-C-N 113.829 -1.532 . . . . 0.0 110.915 172.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.0 mttt 71.15 72.3 0.28 Allowed Pre-proline 0 C--O 1.234 0.25 0 C-N-CA 119.093 -1.043 . . . . 0.0 113.162 162.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -77.86 105.2 1.98 Allowed 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.664 2.243 . . . . 0.0 111.514 175.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 34.1 tt0 -81.63 105.32 12.69 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.6 mt -79.41 107.66 12.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.043 0.449 . . . . 0.0 110.68 -176.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -79.91 134.53 36.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.388 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -108.0 9.5 28.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.382 0.611 . . . . 0.0 110.869 -178.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -87.77 -44.6 11.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.011 178.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.577 HG23 ' HG ' ' A' ' 29' ' ' LEU . 5.3 t -112.83 -19.08 12.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.437 173.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.3 35.32 12.34 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.055 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.577 ' HG ' HG23 ' A' ' 27' ' ' THR . 43.7 mt -113.0 155.8 24.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.971 0.415 . . . . 0.0 110.218 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.84 112.55 36.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.646 -177.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.529 ' HB2' ' HB3' ' A' ' 22' ' ' GLU . 15.5 m -83.02 111.68 19.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.093 0.473 . . . . 0.0 110.742 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.642 ' CE1' HG23 ' A' ' 42' ' ' ILE . 3.2 p90 -111.09 149.1 31.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.777 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -102.82 123.7 46.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.809 -175.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.716 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -61.36 160.45 10.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.289 -179.02 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -74.27 -14.89 60.98 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 168.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.505 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 82.8 mt-30 -85.22 -6.09 59.29 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.461 176.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.28 35.08 12.67 Favored Glycine 0 C--O 1.229 -0.204 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.01 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.716 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 84.9 m-20 -107.95 161.84 14.57 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -121.73 107.49 12.41 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.938 0.399 . . . . 0.0 110.01 174.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.43 ' HE3' ' OD2' ' A' ' 34' ' ' ASP . 76.3 mtm -121.82 170.97 9.24 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.892 -178.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -131.93 129.46 40.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.692 0.282 . . . . 0.0 111.359 -175.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.841 HD12 ' HB ' ' A' ' 47' ' ' VAL . 10.8 pt -108.4 -177.89 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -84.42 148.95 26.31 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.731 0.301 . . . . 0.0 110.875 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.543 ' O ' HG13 ' A' ' 47' ' ' VAL . 27.3 ttp85 -62.91 -42.13 99.68 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -175.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -89.45 3.93 50.75 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.761 -178.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -88.28 -34.79 17.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.16 0.505 . . . . 0.0 109.696 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.841 ' HB ' HD12 ' A' ' 42' ' ' ILE . 11.5 p -72.4 147.29 10.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.285 178.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 8' ' ' ALA . 30.3 t -117.57 -76.73 0.57 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 177.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -146.23 152.87 39.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.666 0.27 . . . . 0.0 110.64 -177.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.558 ' O ' HG21 ' A' ' 51' ' ' ILE . 4.2 mp -81.18 104.15 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 174.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.558 HG21 ' O ' ' A' ' 50' ' ' ILE . 3.0 tt 61.63 162.31 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 O-C-N 124.264 0.977 . . . . 0.0 110.771 -170.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -75.51 108.23 8.19 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.952 -0.468 . . . . 0.0 111.771 -174.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 . . . . . 0 N--CA 1.47 0.534 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.986 173.821 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.4 t70 . . . . . 0 CA--C 1.518 -0.255 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.539 ' CD1' ' HA3' ' A' ' 19' ' ' GLY . 80.6 m-85 -124.55 156.44 37.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.829 0.347 . . . . 0.0 110.914 -178.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.7 p -161.33 147.01 4.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.828 178.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -136.78 116.59 13.11 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.724 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . . . -104.49 124.17 48.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.083 179.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.5 p -82.75 172.31 13.02 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.417 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -75.03 -0.07 17.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.361 0.601 . . . . 0.0 110.495 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -73.85 -36.91 64.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.708 173.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.72 -3.64 21.31 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.774 -175.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -86.27 137.8 32.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.944 0.402 . . . . 0.0 110.287 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 50.9 ttm -102.65 105.81 16.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.138 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.7 mt -97.41 137.24 25.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.936 -175.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -85.39 118.81 25.15 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 175.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.9 p -121.46 143.77 49.06 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.115 -172.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.911 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 25.2 t70 -64.19 111.04 2.4 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 161.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.62 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -62.58 156.13 39.76 Favored Glycine 0 CA--C 1.496 -1.125 0 CA-C-O 118.517 -1.157 . . . . 0.0 112.325 -163.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.62 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 58.9 mttp 82.61 70.3 0.11 Allowed Pre-proline 0 C--N 1.351 0.662 0 C-N-CA 119.078 -1.049 . . . . 0.0 110.804 178.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -88.38 162.14 6.81 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.795 2.33 . . . . 0.0 112.778 -176.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 13.3 mm-40 -100.35 97.22 8.0 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.627 -178.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.534 HG12 HG12 ' A' ' 30' ' ' VAL . 5.9 mt -85.41 97.92 6.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.497 -0.481 . . . . 0.0 109.751 174.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.577 ' OD1' HG22 ' A' ' 27' ' ' THR . 15.7 t70 -83.86 98.62 9.85 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 174.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -75.44 -10.96 59.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.244 0.545 . . . . 0.0 109.903 -174.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.464 ' HB3' ' OD1' ' A' ' 24' ' ' ASP . 15.9 t70 -67.21 -51.62 51.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.406 178.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.577 HG22 ' OD1' ' A' ' 24' ' ' ASP . 8.8 t -87.94 -23.22 23.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.935 0.398 . . . . 0.0 110.272 174.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.3 24.07 38.19 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 121.026 -0.606 . . . . 0.0 111.952 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.3 mt -116.61 142.98 46.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.952 0.406 . . . . 0.0 110.344 -177.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.534 HG12 HG12 ' A' ' 23' ' ' ILE . 61.9 t -108.88 107.21 22.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.776 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.616 ' HG ' ' HG2' ' A' ' 41' ' ' GLN . 15.1 m -82.01 119.66 24.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.11 179.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.548 ' CE1' HG22 ' A' ' 42' ' ' ILE . 6.6 p90 -129.43 154.36 47.03 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.981 -178.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.911 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 73.5 m80 -104.74 136.92 43.36 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.904 0.383 . . . . 0.0 110.497 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.73 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.9 OUTLIER -68.18 165.56 18.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.61 176.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.496 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 5.9 tp60 -74.51 -14.34 60.8 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 172.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.457 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 6.4 tp-100 -83.85 -20.03 33.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.304 176.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.86 8.44 27.95 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.66 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.73 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 87.4 m-20 -75.06 152.48 38.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.702 0.287 . . . . 0.0 110.766 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.8 101.18 8.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.976 0.417 . . . . 0.0 110.036 176.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 70.6 mtm -123.29 174.27 7.41 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.586 -175.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.616 ' HG2' ' HG ' ' A' ' 31' ' ' SER . 45.9 mt-30 -138.54 129.32 26.54 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.674 -176.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.548 HG22 ' CE1' ' A' ' 32' ' ' TYR . 13.0 pt -109.33 -178.24 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 172.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.571 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 49.9 t30 -91.05 149.25 21.9 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.847 0.356 . . . . 0.0 110.806 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 -53.2 -51.7 61.24 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 123.803 0.841 . . . . 0.0 113.203 -175.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -84.55 5.54 27.28 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -173.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.571 ' OD1' ' HB3' ' A' ' 43' ' ' ASN . 3.3 m-20 -87.58 -18.82 28.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.083 0.468 . . . . 0.0 110.11 174.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.532 HG21 HG23 ' A' ' 30' ' ' VAL . 3.4 t -72.09 146.35 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.662 178.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.2 t -146.44 -75.15 0.21 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.377 -0.529 . . . . 0.0 112.216 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.724 ' HB2' ' HB2' ' A' ' 8' ' ' ALA . 47.5 mt-30 -102.63 108.14 19.3 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 -168.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.9 pt -142.51 -175.91 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.595 174.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.2 tt -86.43 0.72 6.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 CA-C-O 121.218 0.532 . . . . 0.0 110.518 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 66.92 -165.22 0.22 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.945 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 53' ' ' ARG . 12.8 ptt180 . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 121.361 0.6 . . . . 0.0 111.481 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 N--CA 1.466 0.346 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.746 ' HD2' ' HA3' ' A' ' 19' ' ' GLY . 0.5 OUTLIER -69.41 -40.5 77.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 170.713 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.8 t 71.25 115.17 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.841 175.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 59.8 ttp -99.21 106.85 19.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.471 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.77 110.91 22.52 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.472 175.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.9 p -88.06 164.9 15.52 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 121.251 0.548 . . . . 0.0 111.105 -177.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.64 ' HB2' ' HB2' ' A' ' 48' ' ' SER . 30.5 ttpt -82.89 -0.47 48.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.864 -174.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.545 ' OD1' ' HG2' ' A' ' 13' ' ' ARG . 1.8 p30 -88.07 -16.74 32.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.982 0.42 . . . . 0.0 110.028 175.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.62 -27.55 6.83 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.665 -0.779 . . . . 0.0 113.257 176.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.545 ' HG2' ' OD1' ' A' ' 11' ' ' ASP . 11.7 ptm180 -74.54 149.02 40.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.17 0.51 . . . . 0.0 111.067 -178.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 50.8 ttm -121.97 114.33 20.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.766 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.9 mt -102.25 134.83 41.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.949 -174.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -77.87 86.53 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.153 0.501 . . . . 0.0 110.735 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.9 p -101.99 126.56 48.94 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.262 174.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.53 -30.28 71.18 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.761 176.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.746 ' HA3' ' HD2' ' A' ' 5' ' ' TYR . . . 154.07 -179.74 30.05 Favored Glycine 0 CA--C 1.501 -0.811 0 C-N-CA 120.34 -0.933 . . . . 0.0 112.303 163.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 79.2 mttt 73.19 73.2 0.23 Allowed Pre-proline 0 N--CA 1.45 -0.433 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 165.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -94.43 116.59 0.24 Allowed 'Trans proline' 0 N--CA 1.443 -1.494 0 C-N-CA 123.508 2.806 . . . . 0.0 110.934 172.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.68 102.44 9.88 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -178.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.4 mt -70.77 107.22 2.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.029 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.516 ' CG ' ' HG1' ' A' ' 27' ' ' THR . 10.4 t70 -73.17 128.56 35.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.059 -177.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.642 ' HA ' ' NH2' ' A' ' 44' ' ' ARG . 4.6 p30 -102.49 8.54 39.95 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -177.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -104.99 -47.35 4.03 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-O 122.415 1.102 . . . . 0.0 108.802 175.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.516 ' HG1' ' CG ' ' A' ' 24' ' ' ASP . 0.2 OUTLIER -96.19 -12.28 24.88 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 113.128 -1.851 . . . . 0.0 112.218 -165.421 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.17 20.96 78.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.419 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.3 mt -117.6 176.97 4.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.646 -0.277 . . . . 0.0 110.633 -176.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 44' ' ' ARG . 39.3 t -135.03 115.92 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.403 178.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 40' ' ' MET . 5.9 m -79.92 101.57 8.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.965 -178.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.627 ' HH ' ' HE1' ' A' ' 40' ' ' MET . 1.1 p90 -105.77 169.09 8.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.948 0.404 . . . . 0.0 110.215 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -115.55 117.21 29.69 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.015 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.671 ' OD2' ' HE2' ' A' ' 40' ' ' MET . 54.6 m-20 -62.65 158.49 18.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.938 177.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -76.41 -8.52 57.31 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 168.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.506 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 26.2 tp60 -85.91 -10.96 54.37 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.354 177.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.16 30.75 9.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 113.33 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.476 ' HB2' ' OD2' ' A' ' 34' ' ' ASP . 55.4 m-80 -118.5 146.17 44.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 117.088 0.444 . . . . 0.0 110.757 176.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.25 102.79 12.18 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.671 ' HE2' ' OD2' ' A' ' 34' ' ' ASP . 62.5 mtm -124.46 169.91 11.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.264 -175.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.487 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 35.8 mt-30 -122.8 115.74 22.53 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.397 -175.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.543 HD12 HG23 ' A' ' 47' ' ' VAL . 8.3 pt -94.59 177.23 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 175.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.624 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 11.7 t30 -76.33 134.73 39.63 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.675 0.274 . . . . 0.0 110.285 -178.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.642 ' NH2' ' HA ' ' A' ' 25' ' ' ASP . 29.7 ttm180 -57.7 -36.67 72.29 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -174.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -70.53 -7.1 41.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.817 -172.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.624 ' OD1' ' HB3' ' A' ' 43' ' ' ASN . 9.3 m-20 -90.84 -33.53 15.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.606 0.241 . . . . 0.0 111.184 -178.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.543 HG23 HD12 ' A' ' 42' ' ' ILE . 15.8 t -66.43 121.56 15.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.159 -176.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.64 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . 33.0 t -125.01 -70.13 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.776 -174.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -120.23 116.14 25.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.794 0.331 . . . . 0.0 111.495 -173.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.3 mm -98.76 -69.31 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.429 178.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.2 mt -95.68 -27.76 4.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.233 0.54 . . . . 0.0 110.096 -179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -68.44 96.9 0.71 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.364 -178.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 53' ' ' ARG . 28.9 mmt180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.553 176.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 . . . . . 0 N--CA 1.466 0.372 0 CA-C-O 120.931 0.396 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -160.58 105.99 1.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.404 -174.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 p -149.08 145.98 17.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.697 -177.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.1 ttp -130.89 104.74 7.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.974 0.416 . . . . 0.0 109.948 -178.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.823 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . . . -87.56 141.02 28.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.234 -179.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.528 HG21 ' HA ' ' A' ' 47' ' ' VAL . 20.6 p -104.38 169.57 8.4 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.405 -176.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.539 ' HB2' ' HB2' ' A' ' 48' ' ' SER . 32.3 ttpt -80.92 -7.88 59.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.363 0.601 . . . . 0.0 110.142 -177.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -101.02 7.52 43.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.628 175.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.84 26.1 54.4 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.799 -0.637 . . . . 0.0 113.536 174.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -98.52 130.31 45.1 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 176.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -96.42 94.83 7.64 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.767 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.8 mt -92.83 134.32 31.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.58 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -89.72 142.06 28.04 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.526 ' HA ' ' O ' ' A' ' 33' ' ' HIS . 17.6 p -135.82 176.01 9.07 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.884 -177.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -102.28 18.2 21.54 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 106.865 -1.532 . . . . 0.0 106.865 165.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.99 -159.48 37.71 Favored Glycine 0 CA--C 1.503 -0.706 0 CA-C-N 112.811 -1.995 . . . . 0.0 109.85 -173.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.0 mttm 65.74 51.0 0.79 Allowed Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 155.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.472 ' HG3' HD13 ' A' ' 50' ' ' ILE . 89.3 Cg_endo -81.05 140.4 12.49 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.845 1.696 . . . . 0.0 112.349 -178.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -106.05 112.32 25.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.21 177.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.531 HG12 HG22 ' A' ' 30' ' ' VAL . 52.9 mt -91.71 109.73 21.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 CA-C-O 121.255 0.55 . . . . 0.0 109.947 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -74.81 95.12 2.86 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.281 178.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -78.89 -1.94 37.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.445 -170.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -71.63 -32.1 67.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.002 0.43 . . . . 0.0 110.394 174.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.617 HG23 ' HG ' ' A' ' 29' ' ' LEU . 2.8 t -127.49 -32.03 2.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.544 -176.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.453 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . 104.5 36.2 3.12 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.415 -0.898 . . . . 0.0 111.739 -175.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.617 ' HG ' HG23 ' A' ' 27' ' ' THR . 80.3 mt -104.8 167.73 9.53 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 176.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.531 HG22 HG12 ' A' ' 23' ' ' ILE . 77.9 t -135.5 116.86 19.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.813 0.339 . . . . 0.0 110.394 -178.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.01 119.47 32.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.388 177.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.494 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 7.1 p90 -135.31 171.63 14.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.543 -176.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.546 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 37.4 m80 -114.79 140.29 49.03 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 175.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.88 -174.81 4.64 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.118 169.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -70.83 2.31 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.678 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -98.83 -2.56 37.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.011 0.434 . . . . 0.0 110.21 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.65 16.45 80.64 Favored Glycine 0 C--N 1.331 0.269 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -175.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.546 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 12.7 p-10 -94.41 133.22 38.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.909 -0.646 . . . . 0.0 110.608 -177.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.494 ' HA ' ' O ' ' A' ' 32' ' ' TYR . . . -96.12 116.98 29.81 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.198 -177.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.3 mtm -121.4 169.44 10.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.08 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.43 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 38.7 tt0 -129.77 128.41 42.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.961 0.41 . . . . 0.0 110.724 -173.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.587 HD11 ' HB3' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -134.35 140.9 44.99 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.48 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.534 -175.731 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.428 ' OD1' ' HB2' ' A' ' 45' ' ' ASP . 26.5 t-20 -66.02 136.81 56.55 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 122.384 -0.197 . . . . 0.0 111.283 -177.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -66.61 -8.99 30.98 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -170.871 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.428 ' HB2' ' OD1' ' A' ' 43' ' ' ASN . 0.9 OUTLIER -79.65 -11.11 59.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.967 0.413 . . . . 0.0 110.699 176.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.587 ' HB3' HD11 ' A' ' 42' ' ' ILE . 13.4 t70 -86.65 -45.95 10.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.996 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.528 ' HA ' HG21 ' A' ' 9' ' ' THR . 6.8 m -70.46 163.86 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-O 120.936 0.398 . . . . 0.0 111.319 178.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.539 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . 36.2 t -157.55 -69.83 0.1 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.041 -179.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.823 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 26.2 mt-30 -93.82 98.47 11.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.254 0.549 . . . . 0.0 111.621 -174.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.472 HD13 ' HG3' ' A' ' 21' ' ' PRO . 13.7 tt -144.16 -45.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.794 171.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 13.1 tt -87.06 -24.05 6.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.211 0.529 . . . . 0.0 109.979 175.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -88.57 -1.72 58.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.464 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.129 -178.251 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 CA--C 1.518 -0.271 0 CA-C-O 121.173 0.511 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.493 ' HG3' HD11 ' A' ' 50' ' ' ILE . 56.1 ttp -113.03 101.14 9.18 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.368 179.072 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.618 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . . . -80.28 122.64 27.14 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 173.211 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.4 p -104.04 -179.66 4.01 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -171.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.68 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 33.7 ttpt -48.9 -43.09 38.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.507 -1.224 . . . . 0.0 112.161 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -78.0 -2.61 37.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.579 -175.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.28 -7.27 82.08 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.597 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 13' ' ' ARG . 7.5 ptp85 -74.45 134.52 42.33 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.087 0.47 . . . . 0.0 110.455 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.5 ttm -91.71 114.85 27.49 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.097 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.7 mt -95.89 125.95 48.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.516 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 16' ' ' LEU . 2.9 mm? -75.28 111.28 10.37 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 176.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.522 ' HB ' ' H ' ' A' ' 19' ' ' GLY . 3.7 p -110.95 156.66 20.89 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.365 -176.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.926 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 7.5 t70 -65.2 -22.37 66.89 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 164.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.522 ' H ' ' HB ' ' A' ' 17' ' ' THR . . . 93.96 -170.14 30.22 Favored Glycine 0 CA--C 1.496 -1.127 0 CA-C-N 113.438 -1.71 . . . . 0.0 110.956 171.228 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp 65.86 55.03 1.04 Allowed Pre-proline 0 CA--C 1.534 0.339 0 C-N-CA 118.751 -1.18 . . . . 0.0 111.82 160.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -85.55 149.63 10.1 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.531 2.154 . . . . 0.0 113.808 -170.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -109.36 117.7 34.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.432 177.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.533 HG12 HG22 ' A' ' 30' ' ' VAL . 50.5 mt -95.65 130.47 44.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.804 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -82.85 96.36 8.22 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 169.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -77.58 2.35 16.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.632 -170.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -87.11 -12.89 45.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.983 0.421 . . . . 0.0 110.266 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.547 HG23 ' HG ' ' A' ' 29' ' ' LEU . 6.4 t -137.74 -35.52 0.65 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.204 178.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.432 ' O ' ' HG2' ' A' ' 44' ' ' ARG . . . 105.14 32.49 4.01 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.573 -179.191 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.547 ' HG ' HG23 ' A' ' 27' ' ' THR . 52.2 mt -103.23 132.59 49.37 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.343 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.6 HG21 HG21 ' A' ' 47' ' ' VAL . 46.8 t -107.08 110.87 33.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.277 -174.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.4 m -84.52 105.17 15.13 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.475 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.475 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 16.3 p90 -110.47 175.56 5.38 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.926 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 24.9 m170 -120.59 117.58 27.96 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.509 ' HB3' ' OE1' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -74.36 175.83 7.3 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.178 0.513 . . . . 0.0 111.698 175.88 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -57.35 -31.72 66.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.45 -177.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.509 ' OE1' ' HB3' ' A' ' 34' ' ' ASP . 15.8 mp0 -80.61 0.34 34.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.797 -175.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.6 35.32 29.18 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.489 -0.862 . . . . 0.0 111.284 -176.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.514 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 92.7 m-20 -103.18 125.72 50.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.692 -0.254 . . . . 0.0 110.911 -177.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.475 ' HA ' ' O ' ' A' ' 32' ' ' TYR . . . -90.69 100.22 13.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.942 176.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 77.8 mtm -121.91 160.26 25.16 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.155 -177.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.541 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 77.2 mt-30 -113.97 124.59 52.54 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.173 -176.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.608 HD11 HG22 ' A' ' 47' ' ' VAL . 10.9 pt -110.0 -179.79 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.903 0.382 . . . . 0.0 110.319 175.08 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -85.11 137.57 32.95 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.056 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 28' ' ' GLY . 0.8 OUTLIER -57.16 -35.49 69.6 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 123.12 0.263 . . . . 0.0 111.497 177.65 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.52 -19.28 62.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.06 0.457 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.68 ' HA ' ' HB2' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -86.09 -11.89 51.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.538 178.584 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.608 HG22 HD11 ' A' ' 42' ' ' ILE . 15.6 t -82.17 116.56 26.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 175.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.1 t -105.94 -72.4 0.72 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.665 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.618 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 15.6 mm100 -124.88 110.71 14.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.122 0.487 . . . . 0.0 111.913 -175.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.493 HD11 ' HG3' ' A' ' 7' ' ' MET . 49.9 mm . . . . . 0 C--N 1.322 -0.607 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 171.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 120.969 0.414 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 59.1 ttp -121.29 105.11 10.24 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.77 ' HB3' ' HG3' ' A' ' 49' ' ' GLN . . . -93.86 119.79 33.26 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.452 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.421 ' HB ' ' OD2' ' A' ' 46' ' ' ASP . 43.0 p -86.12 172.46 10.56 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.355 -175.237 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.561 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 6.7 ttpm? -62.95 -25.99 68.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.835 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -54.78 -31.66 59.12 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.853 175.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.44 16.61 24.26 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.205 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -105.72 144.14 32.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.756 0.313 . . . . 0.0 110.618 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -97.84 104.1 16.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.059 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.4 mt -95.46 115.13 33.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.36 96.52 1.89 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.4 p -102.76 163.28 12.31 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.876 -174.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.5 157.77 25.81 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 169.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.6 72.45 2.83 Favored Glycine 0 CA--C 1.506 -0.47 0 C-N-CA 119.762 -1.208 . . . . 0.0 110.893 -177.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.664 ' H ' ' HD3' ' A' ' 21' ' ' PRO . 4.4 tmtt? 170.31 52.29 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.492 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -155.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.664 ' HD3' ' H ' ' A' ' 20' ' ' LYS . 6.2 Cg_exo -73.81 110.55 3.1 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.696 1.597 . . . . 0.0 110.545 173.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.42 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 4.5 tp10 -76.14 100.83 5.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.738 -176.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.478 HG12 HG22 ' A' ' 30' ' ' VAL . 50.3 mt -94.28 106.92 18.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.721 -175.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -83.09 107.45 15.67 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 174.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -73.52 -11.51 60.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.313 0.577 . . . . 0.0 110.836 -172.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -79.5 -58.16 3.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.971 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.459 ' HB ' HD13 ' A' ' 29' ' ' LEU . 36.7 p -82.9 -28.78 29.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.007 0.432 . . . . 0.0 110.857 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.12 15.09 55.0 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.976 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.459 HD13 ' HB ' ' A' ' 27' ' ' THR . 11.1 mp -95.0 144.49 25.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.336 0.589 . . . . 0.0 111.541 -178.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.478 HG22 HG12 ' A' ' 23' ' ' ILE . 90.0 t -114.81 108.7 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.91 177.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.42 ' HB2' ' HB3' ' A' ' 22' ' ' GLU . 7.5 m -87.7 115.97 25.52 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.836 177.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.548 ' HE1' HG23 ' A' ' 42' ' ' ILE . 27.8 p90 -116.54 141.27 48.4 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.951 0.405 . . . . 0.0 110.596 -177.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.643 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 15.7 t-80 -94.42 117.68 30.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.531 178.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.598 ' HB3' ' H ' ' A' ' 36' ' ' GLN . 56.3 m-20 -66.62 163.24 19.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.16 176.291 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -70.66 -16.22 62.79 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 166.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.598 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 64.4 tt0 -76.08 -12.52 60.13 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.157 -1.383 . . . . 0.0 110.462 178.066 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.455 ' HA2' ' NE2' ' A' ' 33' ' ' HIS . . . 85.28 37.05 10.13 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.687 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.643 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 92.8 m-20 -119.7 150.52 40.23 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.64 96.61 6.38 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 170.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 32' ' ' TYR . 62.7 mtm -104.5 160.34 15.01 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.17 131.34 53.64 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.236 -175.458 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.687 HD11 HG22 ' A' ' 47' ' ' VAL . 15.0 pt -114.33 -179.08 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 167.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -99.34 151.27 21.25 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.598 174.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.601 ' HA ' HG23 ' A' ' 47' ' ' VAL . 50.3 ttp180 -63.22 -23.77 67.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.71 -18.67 60.6 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.802 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.561 ' OD1' ' HB3' ' A' ' 10' ' ' LYS . 14.6 t70 -111.71 -0.14 16.1 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.504 -176.047 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.687 HG22 HD11 ' A' ' 42' ' ' ILE . 8.3 t -78.59 103.94 6.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 176.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.0 t -92.58 -64.7 1.07 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.749 0.309 . . . . 0.0 111.301 -174.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.77 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 12.2 pt20 -138.84 126.38 21.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.193 0.52 . . . . 0.0 111.04 -177.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.3 tt . . . . . 0 C--N 1.321 -0.645 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.382 -178.58 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 112.008 0.374 . . . . 0.0 112.008 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.0 ttp -132.45 111.2 11.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.134 0.493 . . . . 0.0 111.25 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.837 ' HB3' ' HB3' ' A' ' 49' ' ' GLN . . . -87.13 139.3 30.71 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 172.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.539 ' OG1' ' HG2' ' A' ' 13' ' ' ARG . 19.0 p -114.11 164.07 14.34 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -175.004 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -56.14 -39.13 71.79 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.319 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -55.64 -32.52 63.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.224 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.65 56.21 0.87 Allowed Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.803 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.539 ' HG2' ' OG1' ' A' ' 9' ' ' THR . 4.6 ptm180 -150.6 134.37 16.64 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.8 ttm -91.54 110.91 22.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.109 -178.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.6 mt -94.78 120.37 44.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.49 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' A' ' 35' ' ' GLN . 0.3 OUTLIER -74.81 104.79 5.58 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.525 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.422 HG22 ' HD2' ' A' ' 32' ' ' TYR . 15.1 p -97.24 143.23 28.23 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.992 -174.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.652 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 3.1 t70 -62.44 -43.47 98.73 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 168.138 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.83 -176.42 23.17 Favored Glycine 0 CA--C 1.497 -1.092 0 N-CA-C 109.579 -1.409 . . . . 0.0 109.579 171.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 71.63 78.44 0.21 Allowed Pre-proline 0 N--CA 1.455 -0.195 0 C-N-CA 118.559 -1.257 . . . . 0.0 112.666 164.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -80.94 93.56 1.01 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 121.942 1.762 . . . . 0.0 111.112 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -79.64 87.96 5.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.544 0.688 . . . . 0.0 109.608 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.527 HG12 HG22 ' A' ' 30' ' ' VAL . 30.3 mt -80.7 103.27 7.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.864 -175.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -74.89 97.15 3.26 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 176.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -77.57 2.93 14.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.601 -170.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -69.03 -32.03 71.25 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 174.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.414 HG23 ' HG ' ' A' ' 29' ' ' LEU . 3.8 t -118.88 -26.54 6.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.717 178.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.1 27.98 11.51 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.858 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.414 ' HG ' HG23 ' A' ' 27' ' ' THR . 55.1 mt -106.41 149.98 26.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.932 0.396 . . . . 0.0 110.116 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.527 HG22 HG12 ' A' ' 23' ' ' ILE . 49.0 t -103.57 105.16 17.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.495 -177.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 m -83.55 95.91 8.46 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.303 0.573 . . . . 0.0 109.729 176.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.471 ' CE1' HG23 ' A' ' 42' ' ' ILE . 16.9 p90 -102.2 175.75 5.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.838 -177.053 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.652 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 8.9 m170 -119.55 129.35 54.62 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.435 ' HB3' ' H ' ' A' ' 36' ' ' GLN . 67.1 m-20 -69.73 163.53 25.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.393 177.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.519 ' HB3' HD12 ' A' ' 16' ' ' LEU . 30.1 pt20 -68.72 -19.77 64.37 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 163.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.435 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 62.6 tt0 -72.84 -27.19 61.79 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.346 -1.297 . . . . 0.0 110.118 177.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.07 20.81 9.42 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.526 -0.845 . . . . 0.0 114.07 174.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.428 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 3.3 m-80 -108.95 160.01 16.36 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 117.535 0.667 . . . . 0.0 109.969 176.301 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 32' ' ' TYR . . . -107.43 105.43 15.35 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 173.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.6 mtm -112.7 159.89 18.46 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.132 -178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 38.1 mt-30 -115.92 117.26 29.67 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.041 -175.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.597 HD11 HG22 ' A' ' 47' ' ' VAL . 5.9 pt -104.35 -179.66 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 172.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.472 ' ND2' ' HB3' ' A' ' 45' ' ' ASP . 53.4 t30 -89.03 142.05 27.97 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.428 ' HA ' HG23 ' A' ' 47' ' ' VAL . 55.2 ttp180 -68.3 -32.19 72.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.895 0.379 . . . . 0.0 110.691 -178.324 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.472 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 19.6 t70 -70.78 -20.37 62.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.507 0.67 . . . . 0.0 110.24 175.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.27 -3.28 59.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.288 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.597 HG22 HD11 ' A' ' 42' ' ' ILE . 12.5 t -80.24 103.5 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.458 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.7 t -92.57 -33.26 14.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -175.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.837 ' HB3' ' HB3' ' A' ' 8' ' ' ALA . 1.4 tm0? -152.06 149.6 29.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.738 0.304 . . . . 0.0 110.314 178.136 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.1 tt . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.427 174.965 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.24 0.543 . . . . 0.0 111.692 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 50.1 ttp -75.53 102.07 5.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.058 174.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.05 120.22 18.37 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.1 p -105.31 172.78 6.61 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.938 0.399 . . . . 0.0 111.924 -173.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -53.54 -38.49 63.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.842 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -66.91 -17.95 65.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.055 -177.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.65 1.37 63.88 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.164 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 ptm85 -96.3 142.1 28.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.945 0.402 . . . . 0.0 110.928 -178.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -93.49 111.78 23.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.364 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.1 mt -91.52 127.34 43.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 175.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.52 111.28 4.62 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -175.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.417 ' HB ' ' HA ' ' A' ' 20' ' ' LYS . 1.4 p -124.26 78.75 1.68 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -170.509 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -93.24 121.61 34.78 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 163.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.459 ' HA3' ' HB2' ' A' ' 33' ' ' HIS . . . 116.42 -60.85 0.42 Allowed Glycine 0 CA--C 1.502 -0.731 0 N-CA-C 108.184 -1.967 . . . . 0.0 108.184 -162.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER 77.13 132.76 0.04 OUTLIER Pre-proline 0 CA--C 1.537 0.466 0 N-CA-C 116.868 2.173 . . . . 0.0 116.868 140.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.528 ' HD2' ' HG2' ' A' ' 20' ' ' LYS . 74.2 Cg_exo -45.3 130.32 11.17 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 124.826 3.684 . . . . 0.0 115.456 -174.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.484 ' HB3' ' OG ' ' A' ' 31' ' ' SER . 10.7 tt0 -117.0 112.39 20.89 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 169.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.9 mt -70.81 108.23 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.122 0.487 . . . . 0.0 110.899 -176.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -82.15 88.06 6.48 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 176.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -80.31 -14.03 58.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.225 -161.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -93.04 -2.48 55.61 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.629 0.728 . . . . 0.0 109.623 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.26 -35.54 3.42 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.163 -173.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.46 12.56 44.37 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.567 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.1 mp -118.14 172.45 7.42 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 -179.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 21' ' ' PRO . 61.5 t -136.75 116.34 16.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.484 ' OG ' ' HB3' ' A' ' 22' ' ' GLU . 7.0 p -82.92 106.91 15.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.842 0.353 . . . . 0.0 111.021 -178.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -113.14 154.87 25.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.022 0.439 . . . . 0.0 109.898 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.469 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 6.9 m-70 -114.89 127.54 55.76 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.812 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.895 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -66.06 174.21 2.65 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.772 0.796 . . . . 0.0 112.92 -178.898 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -69.67 -9.29 53.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.268 -1.333 . . . . 0.0 110.36 175.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.466 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 27.5 mm-40 -114.87 20.95 14.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.419 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.39 40.47 94.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.825 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.895 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 78.0 m-20 -97.22 117.47 31.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 178.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.86 103.41 15.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.798 0.332 . . . . 0.0 110.93 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 78.9 mtm -131.09 154.49 48.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.764 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -113.22 124.4 52.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.867 0.365 . . . . 0.0 110.807 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.789 HD11 ' HB ' ' A' ' 47' ' ' VAL . 9.0 pt -100.06 -179.0 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.482 175.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -87.88 151.33 22.92 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.667 0.27 . . . . 0.0 110.525 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.2 ttt-85 -63.01 -24.25 67.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.173 0.511 . . . . 0.0 110.313 177.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -86.96 -18.94 29.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.158 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -79.85 -30.46 40.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.815 0.34 . . . . 0.0 110.821 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.789 ' HB ' HD11 ' A' ' 42' ' ' ILE . 9.5 p -85.22 139.35 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.276 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.8 t -108.73 -58.69 1.98 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.678 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -150.35 137.92 19.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.652 0.263 . . . . 0.0 110.518 -178.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.478 HG21 ' HG2' ' A' ' 21' ' ' PRO . 20.6 pt . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.009 176.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.7 t . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.7 ttp -119.42 116.32 25.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.193 0.521 . . . . 0.0 111.172 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.75 131.93 35.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.167 174.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.0 p -104.07 167.26 9.88 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.526 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 30.7 ttpt -55.19 -40.64 70.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.542 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -66.82 -27.8 67.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.845 -176.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.65 18.01 11.39 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.367 -0.921 . . . . 0.0 112.703 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -103.97 138.87 39.9 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 176.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 91.8 mmm -94.97 116.98 29.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.823 -174.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.6 mt -102.38 121.06 52.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.273 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -81.39 125.28 30.21 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 33' ' ' HIS . 12.5 p -117.97 143.7 46.15 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.454 0.645 . . . . 0.0 112.051 -173.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.436 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 29.5 t70 -75.62 -9.29 58.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 122.117 0.96 . . . . 0.0 108.525 171.29 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.48 179.73 18.75 Favored Glycine 0 CA--C 1.503 -0.667 0 CA-C-N 114.31 -1.313 . . . . 0.0 110.804 171.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 8.6 mtpm? 72.63 78.45 0.2 Allowed Pre-proline 0 C--N 1.342 0.279 0 C-N-CA 119.167 -1.013 . . . . 0.0 113.102 166.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -86.17 98.07 0.56 Allowed 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 122.459 2.106 . . . . 0.0 111.84 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 67.2 mm-40 -81.92 90.78 6.48 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.211 0.529 . . . . 0.0 110.719 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.56 HG12 HG22 ' A' ' 30' ' ' VAL . 18.1 mt -85.0 119.59 34.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.153 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.424 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 2.1 p30 -77.59 165.48 24.24 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.141 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -115.68 12.11 15.92 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.259 0.552 . . . . 0.0 110.679 177.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -75.1 -50.33 16.72 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 173.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.656 HG23 ' HG ' ' A' ' 29' ' ' LEU . 5.0 t -130.22 -26.81 2.3 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.377 177.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 24' ' ' ASP . . . 101.0 35.09 4.36 Favored Glycine 0 N--CA 1.441 -0.982 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.307 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.656 ' HG ' HG23 ' A' ' 27' ' ' THR . 64.0 mt -84.26 134.59 34.52 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.355 0.598 . . . . 0.0 110.232 176.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.56 HG22 HG12 ' A' ' 23' ' ' ILE . 44.5 t -91.61 102.69 13.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.32 -178.14 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.564 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . 12.0 m -84.09 103.94 13.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.066 0.46 . . . . 0.0 109.768 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.551 ' CE1' HG23 ' A' ' 42' ' ' ILE . 49.8 p90 -109.78 171.83 7.21 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.57 -175.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.441 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 34.0 m80 -109.54 115.32 29.69 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 173.15 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.691 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -66.48 164.35 16.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.653 0.263 . . . . 0.0 111.147 176.804 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -59.74 -30.82 69.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.491 0.662 . . . . 0.0 109.701 173.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.1 -3.3 38.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.162 -178.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.11 30.14 32.08 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.941 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.691 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 14.9 m120 -97.08 140.77 31.1 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.64 92.4 4.09 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 176.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.465 ' O ' ' HA ' ' A' ' 31' ' ' SER . 21.0 mtm -121.21 169.32 10.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.368 -172.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.532 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . 92.5 mt-30 -125.06 123.3 39.49 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.465 0.172 . . . . 0.0 111.465 -172.588 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.551 HG23 ' CE1' ' A' ' 32' ' ' TYR . 5.9 pt -105.33 -179.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 170.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.12 144.31 25.6 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 121.218 -0.193 . . . . 0.0 111.001 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 44' ' ' ARG . 14.2 ptt85 -61.05 -31.98 71.62 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.595 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -75.98 -12.48 60.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.503 0.668 . . . . 0.0 110.181 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.526 ' HA ' ' HB2' ' A' ' 10' ' ' LYS . 1.1 m-20 -100.91 2.14 40.56 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.515 -175.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.536 HG22 HD11 ' A' ' 42' ' ' ILE . 12.6 t -82.43 108.49 15.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.0 t -93.08 -63.66 1.19 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.203 -174.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -147.81 144.5 28.23 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 59.1 mt . . . . . 0 C--N 1.326 -0.45 0 CA-C-O 120.834 0.35 . . . . 0.0 110.534 178.583 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.449 -0.493 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -129.84 129.32 43.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.898 0.38 . . . . 0.0 110.075 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.41 117.13 29.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.718 -176.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.3 p -90.65 169.23 11.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.057 0.456 . . . . 0.0 111.373 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -77.59 -23.38 49.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.528 175.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.38 -40.79 98.19 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.834 176.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.59 -18.41 7.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.639 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -70.53 137.17 49.94 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 120.999 0.428 . . . . 0.0 110.489 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 92.0 mmm -101.02 95.13 6.37 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 177.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.1 mt -77.89 115.4 19.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.967 0.413 . . . . 0.0 110.927 -174.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.554 HD22 ' H ' ' A' ' 16' ' ' LEU . 2.1 mm? -71.9 121.15 18.55 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 176.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.469 HG22 ' CD2' ' A' ' 32' ' ' TYR . 16.8 p -117.37 151.52 36.86 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.857 0.36 . . . . 0.0 111.381 -175.04 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -75.67 -32.05 60.01 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 167.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.64 -166.19 26.6 Favored Glycine 0 CA--C 1.502 -0.761 0 CA-C-N 113.829 -1.532 . . . . 0.0 109.809 171.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.534 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 25.8 mmmt 72.95 79.7 0.18 Allowed Pre-proline 0 N--CA 1.455 -0.176 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 161.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -93.93 93.72 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 122.702 2.268 . . . . 0.0 111.735 173.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.416 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 3.5 tp10 -86.44 99.1 11.41 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.65 HG12 HG22 ' A' ' 30' ' ' VAL . 53.5 mt -85.47 125.01 40.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.557 -172.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -98.83 107.2 19.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.506 173.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -72.85 -23.56 60.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.883 -171.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -63.2 -40.13 96.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.943 0.401 . . . . 0.0 111.016 -176.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 t -103.92 -29.25 11.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.717 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.03 39.03 6.22 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.515 -177.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.547 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 63.2 mt -119.25 149.69 41.34 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.65 HG22 HG12 ' A' ' 23' ' ' ILE . 98.0 t -112.28 114.52 47.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.833 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' A' ' 40' ' ' MET . 19.1 m -85.29 101.13 12.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.159 177.218 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.534 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 26.9 p90 -107.15 162.12 14.16 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.174 -178.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -102.9 115.61 30.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.219 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.439 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -66.81 175.52 2.4 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -57.83 -29.14 64.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.099 -1.41 . . . . 0.0 110.554 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -90.51 -2.5 57.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.579 -177.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.99 17.34 59.61 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.033 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.439 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 94.1 m-20 -81.16 132.67 35.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.63 0.253 . . . . 0.0 111.018 -178.21 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.93 104.35 15.98 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.428 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.522 ' O ' ' HA ' ' A' ' 31' ' ' SER . 23.0 ptp -131.72 164.02 26.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.292 -179.094 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.547 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . 42.0 mt-30 -111.92 124.58 52.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.126 -175.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.622 HD11 HG22 ' A' ' 47' ' ' VAL . 6.3 pt -104.18 176.23 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 170.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -83.54 135.66 34.55 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.552 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.9 ttp85 -61.18 -33.13 72.94 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.065 0.459 . . . . 0.0 110.276 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -63.07 -27.26 69.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.935 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -83.86 -21.2 32.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.622 HG22 HD11 ' A' ' 42' ' ' ILE . 15.7 t -69.78 111.92 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.162 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.8 t -99.63 -64.29 1.05 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.409 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -142.98 179.21 7.17 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 41.0 mm . . . . . 0 C--N 1.325 -0.491 0 CA-C-O 121.074 0.464 . . . . 0.0 109.841 177.034 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 C--O 1.237 0.437 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.53 ' HG2' HG12 ' A' ' 50' ' ' ILE . 14.6 tmm? -108.39 110.37 21.9 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.108 0.48 . . . . 0.0 109.908 -178.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.792 ' HB3' ' HB3' ' A' ' 49' ' ' GLN . . . -91.69 129.18 37.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.26 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.0 p -93.05 -179.97 5.26 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.691 0.757 . . . . 0.0 112.216 -174.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.408 ' HE2' ' HA ' ' A' ' 46' ' ' ASP . 34.6 ttpt -55.04 -43.34 73.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.231 -1.35 . . . . 0.0 111.691 177.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.559 ' HB2' ' HG2' ' A' ' 13' ' ' ARG . 7.3 m-20 -63.74 -30.56 71.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.883 -176.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.38 -11.54 28.47 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.31 -175.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.559 ' HG2' ' HB2' ' A' ' 11' ' ' ASP . 20.5 ptt180 -71.27 132.26 44.66 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 176.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 87.3 mtp -98.4 117.4 32.74 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.454 -176.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.9 mt -97.68 126.76 50.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.459 -177.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.32 115.34 14.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.523 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 p -129.84 155.52 45.86 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.562 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -84.54 140.42 31.44 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 161.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.615 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -61.12 156.55 33.36 Favored Glycine 0 CA--C 1.499 -0.919 0 CA-C-O 118.69 -1.061 . . . . 0.0 113.235 -158.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.615 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 48.3 mtmt 92.83 76.69 0.03 OUTLIER Pre-proline 0 C--N 1.351 0.634 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 172.158 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -76.25 130.89 12.4 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 122.332 2.021 . . . . 0.0 111.271 173.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.34 107.41 18.81 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 59.8 mt -87.27 127.31 40.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.109 0.481 . . . . 0.0 111.078 -174.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.472 ' OD1' HG22 ' A' ' 27' ' ' THR . 10.2 t70 -93.81 113.5 25.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.672 177.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -87.52 6.5 33.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.949 -175.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -95.12 -52.81 4.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.848 0.356 . . . . 0.0 110.182 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.704 HG23 ' HG ' ' A' ' 29' ' ' LEU . 7.8 t -98.06 -18.05 18.77 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.979 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.41 33.43 13.92 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.377 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.704 ' HG ' HG23 ' A' ' 27' ' ' THR . 49.5 mt -106.5 162.57 13.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.814 0.34 . . . . 0.0 110.536 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.0 t -123.27 112.33 33.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.97 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' A' ' 40' ' ' MET . 10.9 m -84.18 100.73 11.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.217 0.532 . . . . 0.0 110.586 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -97.54 177.59 5.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.513 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -124.72 132.73 53.36 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.957 0.408 . . . . 0.0 111.893 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.617 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -67.5 151.82 46.71 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.231 168.387 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -74.76 -7.92 54.84 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 170.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.469 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 64.5 tt0 -83.27 -11.27 57.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.152 -1.386 . . . . 0.0 110.164 175.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.22 31.86 8.19 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.635 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.617 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 82.4 m-20 -113.58 128.25 56.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.91 0.386 . . . . 0.0 111.788 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.86 121.47 32.01 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 174.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.437 ' O ' ' HA ' ' A' ' 31' ' ' SER . 72.2 mtm -135.88 157.71 46.19 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -178.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -119.23 125.52 49.35 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.259 -175.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.628 HD11 HG13 ' A' ' 47' ' ' VAL . 4.8 pt -105.39 -179.45 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 169.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.418 ' HB2' ' OD2' ' A' ' 46' ' ' ASP . 62.1 m-80 -81.17 144.92 31.29 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.332 176.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -71.42 -11.16 60.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 122.059 0.933 . . . . 0.0 108.592 172.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -74.2 -21.1 59.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.238 -1.346 . . . . 0.0 110.061 172.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.53 ' HB2' HD12 ' A' ' 42' ' ' ILE . 68.9 m-20 -102.19 -12.83 17.74 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -173.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.628 HG13 HD11 ' A' ' 42' ' ' ILE . 12.7 m -79.2 158.68 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.159 175.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.2 t -152.56 -62.41 0.16 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.664 0.268 . . . . 0.0 111.656 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.792 ' HB3' ' HB3' ' A' ' 8' ' ' ALA . 27.6 tt0 -118.65 100.21 7.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.097 0.475 . . . . 0.0 110.963 -172.211 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.53 HG12 ' HG2' ' A' ' 7' ' ' MET . 66.2 mt . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.886 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.4 p . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 120.838 0.351 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.9 ttp -124.79 115.75 21.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.449 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.44 119.54 31.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.817 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.2 p -97.78 -179.1 4.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.191 0.519 . . . . 0.0 111.834 -176.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -44.94 -41.43 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.789 -1.096 . . . . 0.0 111.745 176.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.55 ' HB2' ' HG2' ' A' ' 13' ' ' ARG . 1.5 m-20 -65.1 -21.27 66.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.331 -174.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.03 0.36 71.45 Favored Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -174.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.55 ' HG2' ' HB2' ' A' ' 11' ' ' ASP . 33.0 ptt180 -82.8 143.18 31.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.86 0.362 . . . . 0.0 110.334 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 63.4 mtt -98.06 104.2 16.22 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.002 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 67.0 mt -84.22 126.33 40.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.256 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -77.45 122.28 24.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.936 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.472 HG22 ' CD2' ' A' ' 32' ' ' TYR . 56.2 p -123.0 158.61 30.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.392 -176.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.464 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 28.9 t70 -74.45 -11.58 60.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 122.304 1.05 . . . . 0.0 108.602 171.035 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.47 165.77 20.14 Favored Glycine 0 CA--C 1.499 -0.942 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.758 172.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt 72.71 78.46 0.2 Allowed Pre-proline 0 C--N 1.343 0.317 0 C-N-CA 118.647 -1.221 . . . . 0.0 111.981 166.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -81.64 119.69 3.38 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.341 2.027 . . . . 0.0 112.3 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -83.2 99.07 9.71 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mt -83.69 108.39 16.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.679 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.469 ' HB3' HG22 ' A' ' 27' ' ' THR . 2.5 m-20 -68.92 113.25 6.16 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -73.72 -27.42 61.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.573 -168.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -84.97 -52.51 5.93 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.439 -175.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.469 HG22 ' HB3' ' A' ' 24' ' ' ASP . 7.7 t -82.88 -29.41 29.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.725 0.298 . . . . 0.0 111.346 -176.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.02 24.15 30.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.688 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.478 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 60.5 mt -101.33 140.31 35.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 46.4 t -100.8 100.34 10.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 120.868 0.365 . . . . 0.0 110.317 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.9 m -85.82 109.56 18.76 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.156 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.472 ' CD2' HG22 ' A' ' 17' ' ' THR . 32.4 p90 -120.07 161.23 21.32 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.031 0.443 . . . . 0.0 111.128 -176.198 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.464 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 32.5 m170 -92.17 124.17 36.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.975 177.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.825 ' HB2' ' H ' ' A' ' 38' ' ' ASN . 8.8 m-20 -64.79 162.19 16.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.167 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -17.69 60.97 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 169.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -83.4 -13.3 55.19 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.982 176.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.01 29.81 8.31 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.094 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.825 ' H ' ' HB2' ' A' ' 34' ' ' ASP . 18.1 m-80 -108.6 -179.62 3.92 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 176.269 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -136.09 107.3 6.79 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.312 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -135.3 169.51 17.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.758 0.313 . . . . 0.0 110.972 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.521 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 20.0 mp0 -111.17 148.18 33.33 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -170.382 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.658 HD11 ' HB ' ' A' ' 47' ' ' VAL . 11.1 pt -120.97 -178.91 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 166.491 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -86.78 143.88 27.31 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -66.11 -25.56 67.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.048 0.451 . . . . 0.0 109.845 176.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.21 -28.32 61.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.065 0.46 . . . . 0.0 110.858 175.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -84.41 -20.27 32.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.797 -174.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.658 ' HB ' HD11 ' A' ' 42' ' ' ILE . 12.1 p -83.04 140.97 15.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 176.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.5 t -128.71 -73.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.812 -173.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -111.45 113.34 25.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.298 0.571 . . . . 0.0 112.01 -175.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.523 HD11 HG21 ' A' ' 47' ' ' VAL . 60.7 mt . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.69 173.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 m . . . . . 0 N--CA 1.472 0.649 0 CA-C-O 121.631 0.729 . . . . 0.0 112.125 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -69.58 108.0 3.65 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.612 -175.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.25 126.81 33.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.486 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.634 ' OG1' ' HG3' ' A' ' 13' ' ' ARG . 27.6 p -95.39 166.47 11.86 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.064 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.419 ' HE2' ' HA ' ' A' ' 46' ' ' ASP . 36.6 ttpt -58.23 -31.38 67.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.899 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.47 -35.96 76.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.464 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.41 -10.04 11.69 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.069 -178.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.634 ' HG3' ' OG1' ' A' ' 9' ' ' THR . 5.7 ptt85 -73.76 124.5 26.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.194 0.521 . . . . 0.0 110.546 177.2 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.8 mmt -89.11 119.58 29.74 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.451 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.8 mt -105.56 124.51 60.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.856 0.36 . . . . 0.0 111.499 -176.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.404 HD22 ' N ' ' A' ' 16' ' ' LEU . 3.4 mm? -69.48 116.22 9.65 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 174.636 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.506 HG22 ' CD2' ' A' ' 32' ' ' TYR . 12.7 p -130.0 150.56 51.22 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -169.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.746 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 21.6 t70 -63.77 156.03 28.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.919 167.29 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -78.95 73.03 2.37 Favored Glycine 0 N--CA 1.466 0.641 0 C-N-CA 119.848 -1.168 . . . . 0.0 112.444 -169.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 19.8 tttt 162.52 85.98 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.289 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -158.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -91.9 98.31 0.2 Allowed 'Trans proline' 0 N--CA 1.448 -1.15 0 C-N-CA 122.633 2.222 . . . . 0.0 110.655 169.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -80.09 95.44 6.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.406 0.622 . . . . 0.0 109.709 -173.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.481 HG12 HG22 ' A' ' 30' ' ' VAL . 39.5 mt -80.42 120.34 31.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.927 -175.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -104.59 93.37 4.73 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 174.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -75.42 -17.39 60.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.792 -172.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -55.18 -46.45 75.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.277 176.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 t -94.05 -29.22 15.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.201 175.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.47 32.67 6.84 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.676 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.6 mt -119.25 158.05 26.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.943 0.401 . . . . 0.0 110.476 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.531 HG21 HG21 ' A' ' 47' ' ' VAL . 87.8 t -118.82 110.19 29.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 175.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.1 m -88.34 105.41 17.55 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.264 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.527 ' CZ ' ' HG3' ' A' ' 40' ' ' MET . 42.7 p90 -113.03 175.35 5.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.777 0.322 . . . . 0.0 110.167 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.746 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 30.1 m80 -116.9 128.37 55.16 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 174.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.441 ' HB3' ' H ' ' A' ' 36' ' ' GLN . 0.6 OUTLIER -64.04 167.4 6.42 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.284 0.365 . . . . 0.0 111.275 176.475 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -62.61 -23.6 67.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.351 0.596 . . . . 0.0 109.634 171.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.441 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 63.2 mt-30 -73.85 -28.0 61.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.976 176.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.54 7.15 30.34 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.965 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.558 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 42.3 m-80 -76.84 148.89 36.27 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.997 0.398 . . . . 0.0 110.529 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.07 114.91 28.58 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 174.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.527 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 2.7 ptm -146.01 145.91 30.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.984 0.421 . . . . 0.0 111.18 -172.614 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -105.04 145.74 30.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.569 -173.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.578 HD11 HG22 ' A' ' 47' ' ' VAL . 11.9 pt -122.8 -178.97 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 165.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.417 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 9.1 t-20 -83.8 142.12 30.88 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.354 178.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -65.03 -28.06 69.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.18 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -87.08 -3.98 59.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.272 0.558 . . . . 0.0 110.619 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.419 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 25.7 t70 -93.27 -3.82 52.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.094 -178.3 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.578 HG22 HD11 ' A' ' 42' ' ' ILE . 2.8 t -86.19 150.34 3.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.158 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.4 t -126.92 -61.53 1.17 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.88 -0.146 . . . . 0.0 111.123 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.85 146.88 49.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 -176.251 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.2 mt . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.475 179.087 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.2 t . . . . . 0 C--O 1.234 0.251 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.585 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 43.7 ttm -98.27 115.42 28.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.609 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.55 108.86 21.65 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.5 p -86.63 -179.34 6.58 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.295 0.569 . . . . 0.0 112.121 -174.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -62.81 -40.61 97.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.189 176.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -58.8 -38.51 78.74 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.263 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.27 -4.0 28.29 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.752 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -68.96 134.71 49.89 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-O 121.223 0.535 . . . . 0.0 110.429 176.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.3 tpt -93.68 100.11 12.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.481 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.585 ' HB ' ' HB3' ' A' ' 7' ' ' MET . 60.9 mt -86.84 119.08 34.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 120.833 0.349 . . . . 0.0 110.308 -178.153 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.92 91.04 4.15 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' A' ' 33' ' ' HIS . 6.0 p -87.25 134.53 33.53 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -178.407 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -56.26 -39.94 73.4 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 155.19 142.42 3.43 Favored Glycine 0 CA--C 1.504 -0.651 0 CA-C-N 114.491 -1.231 . . . . 0.0 111.313 161.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.9 tttt 79.49 95.42 0.04 OUTLIER Pre-proline 0 C--N 1.349 0.582 0 C-N-CA 118.767 -1.173 . . . . 0.0 112.325 166.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.6 126.85 10.5 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.67 2.247 . . . . 0.0 111.687 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.574 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 5.6 tp10 -85.64 97.95 10.4 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 176.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.46 HG12 HG13 ' A' ' 30' ' ' VAL . 45.2 mt -91.29 116.29 32.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 -173.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -89.46 101.42 14.1 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 171.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -72.84 -28.89 62.8 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.537 -167.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -67.39 -46.03 74.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.285 -177.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.556 HG23 ' HG ' ' A' ' 29' ' ' LEU . 8.1 t -94.23 -17.89 22.24 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.84 30.79 31.08 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.2 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.556 ' HG ' HG23 ' A' ' 27' ' ' THR . 61.6 mt -108.95 136.69 48.07 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.57 ' HB ' HG13 ' A' ' 42' ' ' ILE . 60.0 t -114.23 105.42 18.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 120.838 0.352 . . . . 0.0 110.43 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.574 ' HB3' ' HB3' ' A' ' 22' ' ' GLU . 21.4 t -84.44 101.68 12.21 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.482 0.658 . . . . 0.0 110.223 -179.187 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CE1' HG23 ' A' ' 42' ' ' ILE . 4.6 p90 -97.35 172.73 7.59 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.866 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.477 ' O ' ' HA ' ' A' ' 17' ' ' THR . 37.2 m80 -129.51 114.28 15.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.015 -177.109 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.819 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -60.96 160.54 9.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.26 0.553 . . . . 0.0 112.127 176.645 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -61.12 -27.96 68.76 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.568 169.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -72.91 -19.42 61.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.585 176.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.83 18.77 19.39 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.835 -0.698 . . . . 0.0 111.909 -176.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.819 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 84.2 m-20 -81.57 115.15 20.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.486 0.184 . . . . 0.0 110.645 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.67 91.51 8.69 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 173.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.552 ' O ' ' HA ' ' A' ' 31' ' ' SER . 77.3 mtm -115.35 176.27 5.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.174 -175.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -131.87 121.84 24.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.989 0.424 . . . . 0.0 111.784 -174.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.666 HD11 ' HB ' ' A' ' 47' ' ' VAL . 17.7 pt -100.35 -178.84 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 171.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -88.55 145.51 25.68 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.842 0.353 . . . . 0.0 110.567 175.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -64.32 -18.28 64.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.508 0.671 . . . . 0.0 109.91 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -88.11 -15.71 35.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.863 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.56 -32.11 15.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.978 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.666 ' HB ' HD11 ' A' ' 42' ' ' ILE . 14.8 p -70.76 144.62 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 176.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.0 t -137.21 -66.83 0.5 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.811 0.338 . . . . 0.0 111.21 -175.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -114.6 118.65 34.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.134 0.493 . . . . 0.0 111.811 -174.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 43.0 mm . . . . . 0 C--N 1.317 -0.828 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 170.064 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.492 ' HB ' ' SD ' ' A' ' 14' ' ' MET . 14.1 m . . . . . 0 CA--C 1.517 -0.323 0 CA-C-O 120.996 0.426 . . . . 0.0 111.328 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 56.5 ttp -135.07 109.05 8.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.869 177.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.819 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . . . -89.59 121.56 31.91 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.321 -0.4 . . . . 0.0 109.958 178.139 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.0 p -85.86 178.07 7.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.972 -178.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.455 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 34.7 ttpt -63.06 -22.08 66.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.727 -178.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -65.46 -34.07 77.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.761 174.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.42 -4.28 33.02 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.258 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.429 ' O ' ' HA ' ' A' ' 8' ' ' ALA . 17.3 ptp180 -76.93 133.4 39.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.825 0.345 . . . . 0.0 110.154 177.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.492 ' SD ' ' HB ' ' A' ' 6' ' ' VAL . 52.6 tpp -89.16 100.13 12.98 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 177.461 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.3 mt -81.33 122.09 35.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.877 -178.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.506 HD22 ' H ' ' A' ' 16' ' ' LEU . 2.0 mm? -75.38 107.71 7.68 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.278 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 p -110.91 142.58 42.8 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -169.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.96 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 15.9 t70 -71.86 126.69 30.38 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 159.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.621 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -59.4 159.33 20.57 Favored Glycine 0 CA--C 1.502 -0.775 0 CA-C-O 118.149 -1.362 . . . . 0.0 111.805 -166.116 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.621 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 60.6 mttp 91.61 76.98 0.04 OUTLIER Pre-proline 0 C--N 1.354 0.792 0 CA-C-N 117.975 0.887 . . . . 0.0 112.268 176.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -88.04 126.73 2.08 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 122.681 2.254 . . . . 0.0 111.949 176.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.594 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 10.6 mm-40 -85.34 105.74 16.22 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.425 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.0 mt -86.76 104.31 13.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.407 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -85.02 139.35 31.84 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.712 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -109.93 9.66 24.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.92 0.391 . . . . 0.0 111.346 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -86.12 -55.22 4.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.273 0.559 . . . . 0.0 110.291 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.768 HG23 ' HG ' ' A' ' 29' ' ' LEU . 5.0 t -112.12 -12.35 13.68 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.046 177.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.4 34.0 18.14 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.051 177.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.768 ' HG ' HG23 ' A' ' 27' ' ' THR . 55.8 mt -101.39 141.2 34.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.983 0.42 . . . . 0.0 110.812 178.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.2 t -106.46 106.9 21.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.729 176.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.594 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . 5.6 m -81.63 130.56 35.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.721 -177.269 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.434 ' CE1' HG23 ' A' ' 42' ' ' ILE . 31.2 p90 -140.75 165.17 28.24 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.96 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 20.2 m170 -110.25 133.92 52.76 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.33 170.71 15.83 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 174.574 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.31 -28.88 68.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.962 0.411 . . . . 0.0 110.636 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -66.01 -32.23 73.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.565 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.22 -5.92 21.57 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.689 -0.767 . . . . 0.0 113.009 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -76.83 150.74 36.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.968 0.413 . . . . 0.0 110.738 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.46 118.93 37.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.883 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.427 ' O ' ' HA ' ' A' ' 31' ' ' SER . 74.7 mtm -122.3 171.33 9.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.543 179.066 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.641 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . 49.0 mt-30 -137.16 116.96 13.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.887 -0.142 . . . . 0.0 110.897 -175.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.5 HD11 HG22 ' A' ' 47' ' ' VAL . 19.2 pt -91.61 -179.71 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.155 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.78 148.45 22.11 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.06 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -56.03 -40.0 72.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.126 177.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -75.42 0.05 18.32 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.532 -177.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.455 ' OD1' ' HB3' ' A' ' 10' ' ' LYS . 25.0 t70 -112.17 -0.57 15.52 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.094 0.473 . . . . 0.0 110.926 -174.218 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.5 HG22 HD11 ' A' ' 42' ' ' ILE . 6.4 t -81.6 109.49 15.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.9 t -109.01 -78.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -173.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.819 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 71.9 mm-40 -109.21 111.78 23.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.685 0.278 . . . . 0.0 111.242 -171.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.8 mt . . . . . 0 C--N 1.322 -0.607 0 CA-C-O 120.919 0.39 . . . . 0.0 110.062 175.648 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.64 HG23 HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.466 0.353 0 CA-C-O 121.37 0.605 . . . . 0.0 111.659 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 58.9 ttp -127.18 102.46 6.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.104 0.478 . . . . 0.0 110.339 177.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.766 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . . . -72.71 135.02 45.29 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 174.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -127.67 155.55 43.76 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 120.863 0.363 . . . . 0.0 111.252 -173.578 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.861 ' HE3' ' HA ' ' A' ' 46' ' ' ASP . 27.6 ttpp -60.52 -44.22 96.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.199 -175.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -76.76 29.55 0.13 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.963 0.411 . . . . 0.0 111.858 -173.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.5 68.59 1.59 Allowed Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 116.236 -0.438 . . . . 0.0 113.07 173.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.18 142.8 7.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.049 0.452 . . . . 0.0 110.802 176.651 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -111.65 87.82 2.65 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 170.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.5 mt -73.88 123.61 29.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.085 -171.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.64 HD13 HG23 ' A' ' 6' ' ' VAL . 4.1 mm? -68.47 109.72 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 174.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.8 p -131.25 157.04 44.31 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.31 -170.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 1.042 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 20.9 t70 -68.41 109.67 3.78 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 164.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.32 95.36 0.51 Allowed Glycine 0 N--CA 1.467 0.713 0 C-N-CA 121.027 -0.606 . . . . 0.0 113.2 -163.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' N ' ' HD3' ' A' ' 21' ' ' PRO . 7.5 mttp 157.86 65.62 0.0 OUTLIER Pre-proline 0 C--O 1.233 0.185 0 O-C-N 124.252 0.619 . . . . 0.0 112.154 -160.112 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 20' ' ' LYS . 6.4 Cg_endo -86.92 154.92 8.56 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.668 2.245 . . . . 0.0 111.549 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.08 110.93 18.23 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.071 0.462 . . . . 0.0 110.364 178.012 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.535 HG12 HG22 ' A' ' 30' ' ' VAL . 46.1 mt -88.41 100.61 10.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.132 177.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -70.12 125.16 25.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.004 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -73.69 -28.95 62.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.58 -169.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -72.42 -55.05 7.68 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.484 -175.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.6 t -84.94 -23.32 28.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.58 0.228 . . . . 0.0 111.377 -178.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.19 40.97 27.81 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.723 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 23' ' ' ILE . 79.1 mt -115.44 152.39 32.99 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.672 0.272 . . . . 0.0 110.459 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.535 HG22 HG12 ' A' ' 23' ' ' ILE . 47.8 t -106.23 102.06 13.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.052 178.236 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.613 ' HA ' ' O ' ' A' ' 40' ' ' MET . 15.9 m -87.23 106.84 18.18 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.631 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.441 ' CE1' ' HB2' ' A' ' 40' ' ' MET . 32.6 p90 -109.51 167.72 9.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.799 0.333 . . . . 0.0 110.702 -179.333 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 1.042 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 27.4 m170 -105.82 134.84 48.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.24 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.539 ' HB2' ' H ' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -64.28 158.67 22.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.377 178.15 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -62.94 -28.54 70.14 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 169.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -76.34 -23.28 54.2 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.86 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.62 21.72 7.4 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.897 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.539 ' H ' ' HB2' ' A' ' 34' ' ' ASP . 14.8 m120 -96.76 -172.61 2.52 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.267 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -140.14 128.7 22.9 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.485 -0.191 . . . . 0.0 110.485 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.613 ' O ' ' HA ' ' A' ' 31' ' ' SER . 39.9 mtt -122.24 159.58 27.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.373 178.102 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.416 ' HG2' ' OG ' ' A' ' 31' ' ' SER . 49.0 mt-30 -116.51 108.19 15.69 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 176.198 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.598 HD11 ' HB ' ' A' ' 47' ' ' VAL . 6.9 pt -101.15 -179.96 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.847 0.356 . . . . 0.0 110.499 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -78.75 141.33 37.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.514 ' O ' HG12 ' A' ' 47' ' ' VAL . 35.3 ttp180 -58.91 -40.95 86.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.064 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.92 -19.25 60.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.642 -177.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.861 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 37.2 t70 -84.77 -32.79 23.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.443 -174.001 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.598 ' HB ' HD11 ' A' ' 42' ' ' ILE . 11.1 p -65.48 143.15 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 176.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.1 t -118.97 -68.52 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.581 -174.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.766 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 53.8 mt-30 -130.02 149.24 51.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 111.333 -176.073 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.0 mm . . . . . 0 C--N 1.324 -0.514 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 172.461 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 83.4 t . . . . . 0 N--CA 1.468 0.431 0 CA-C-O 121.521 0.677 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.3 ttp -122.16 109.88 15.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.444 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 48' ' ' SER . . . -87.03 125.48 34.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.945 176.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 p -119.25 -177.49 3.36 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -173.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -28.12 -59.81 0.11 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.148 1.379 . . . . 0.0 114.336 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.571 ' HB2' ' HD2' ' A' ' 13' ' ' ARG . 31.1 m-20 -76.24 5.84 6.35 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -170.203 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.29 29.4 70.27 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -175.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.571 ' HD2' ' HB2' ' A' ' 11' ' ' ASP . 10.8 ptm180 -96.34 129.72 43.61 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -177.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 86.4 mmm -87.31 95.7 10.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.831 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.0 mt -79.91 111.33 16.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.918 0.39 . . . . 0.0 110.105 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.8 mt -77.6 94.76 4.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.471 0.653 . . . . 0.0 110.508 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.4 p -97.29 160.25 14.44 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.602 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -60.81 -40.7 93.71 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 169.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.81 170.88 12.65 Favored Glycine 0 CA--C 1.501 -0.793 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.488 166.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.5 mttt 67.78 75.1 0.3 Allowed Pre-proline 0 C--O 1.235 0.34 0 C-N-CA 118.594 -1.242 . . . . 0.0 113.164 162.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.41 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 89.1 Cg_endo -82.98 145.93 12.65 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.542 2.161 . . . . 0.0 112.373 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.487 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 26.5 tt0 -99.86 111.37 23.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.444 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mt -82.46 102.75 8.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -70.12 143.58 52.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.805 -175.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -90.06 -23.53 21.41 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.236 -178.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -70.55 -64.16 0.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.079 -177.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.683 HG23 ' HG ' ' A' ' 29' ' ' LEU . 5.9 t -108.51 -3.98 17.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.945 0.402 . . . . 0.0 111.31 -176.059 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.57 28.94 62.4 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.171 174.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.683 ' HG ' HG23 ' A' ' 27' ' ' THR . 55.3 mt -99.38 141.67 31.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.795 0.331 . . . . 0.0 110.215 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 47.9 t -93.01 100.41 11.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.495 -178.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.49 ' HA ' ' HG3' ' A' ' 41' ' ' GLN . 3.5 m -75.53 115.14 14.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.369 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.572 ' CE1' HG23 ' A' ' 42' ' ' ILE . 42.0 p90 -121.43 173.39 7.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.014 0.435 . . . . 0.0 110.876 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -127.11 111.76 14.39 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.814 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.753 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 45.7 m-20 -62.34 152.27 34.38 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 173.144 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -62.63 -18.74 62.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.282 0.563 . . . . 0.0 110.129 173.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -84.97 0.88 49.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.956 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.85 11.93 58.45 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.891 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.753 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 90.6 m-20 -81.84 113.23 19.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.763 0.316 . . . . 0.0 111.191 -177.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -96.47 107.13 19.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.103 175.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.6 ptt? -156.29 179.7 8.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.464 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.49 ' HG3' ' HA ' ' A' ' 31' ' ' SER . 15.6 mp0 -126.36 159.44 33.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.851 0.358 . . . . 0.0 111.792 -170.384 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.611 HD11 HG22 ' A' ' 47' ' ' VAL . 7.3 pt -121.36 -179.87 2.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 165.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.522 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 61.3 t30 -88.58 143.19 27.11 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 110.53 -0.174 . . . . 0.0 110.53 178.243 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -66.98 -17.89 65.13 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.07 0.462 . . . . 0.0 111.182 -178.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.483 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 31.5 t70 -82.24 -17.86 44.53 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.086 0.47 . . . . 0.0 110.412 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.522 ' OD1' ' HB3' ' A' ' 43' ' ' ASN . 6.1 m-20 -99.79 9.92 42.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.44 -175.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.611 HG22 HD11 ' A' ' 42' ' ' ILE . 13.1 t -85.94 128.22 39.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.065 178.244 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 8' ' ' ALA . 41.2 t -91.11 -68.88 0.76 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 178.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -179.49 147.85 0.32 Allowed 'General case' 0 C--O 1.232 0.142 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.7 mm . . . . . 0 C--N 1.325 -0.486 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 174.395 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.473 0.717 0 CA-C-O 121.243 0.544 . . . . 0.0 111.52 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.9 ttp -132.75 131.3 41.03 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.048 -0.408 . . . . 0.0 111.135 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.13 119.95 41.07 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.959 176.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 46' ' ' ASP . 34.8 p -94.34 -179.66 4.99 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.764 -176.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -48.65 -48.76 39.44 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.827 0.851 . . . . 0.0 112.443 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -66.93 -21.61 65.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.746 -173.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.22 8.38 44.4 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.971 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -84.65 141.86 30.32 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 86.1 mtp -102.62 112.82 25.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.983 0.421 . . . . 0.0 110.236 -177.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.0 mt -89.28 131.85 35.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.067 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.95 83.99 6.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.56 0.695 . . . . 0.0 110.48 -176.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.577 HG22 ' CD2' ' A' ' 32' ' ' TYR . 29.6 p -81.63 156.2 25.25 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.611 -177.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.48 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 11.4 t70 -78.35 -24.48 46.44 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 165.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.66 -165.87 22.04 Favored Glycine 0 CA--C 1.499 -0.953 0 CA-C-N 113.385 -1.734 . . . . 0.0 109.016 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 20' ' ' LYS . 3.3 mptp? 69.46 73.49 0.3 Allowed Pre-proline 0 CA--C 1.531 0.226 0 CA-C-N 118.448 1.124 . . . . 0.0 112.896 162.303 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -87.47 93.63 0.47 Allowed 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.338 2.025 . . . . 0.0 111.859 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.474 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 29.3 tt0 -81.57 95.59 7.19 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.056 -178.63 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.465 HG12 HG22 ' A' ' 30' ' ' VAL . 28.5 mt -69.81 103.26 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.744 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -70.0 123.14 20.78 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.368 -175.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -76.98 -23.83 52.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.069 -173.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -79.4 -56.8 4.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.084 -178.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.2 p -83.31 -30.03 27.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 -176.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.488 ' O ' ' HB2' ' A' ' 44' ' ' ARG . . . 90.11 5.19 70.74 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.787 -177.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.611 ' HG ' ' HA ' ' A' ' 43' ' ' ASN . 10.8 mp -100.73 152.52 20.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.884 0.373 . . . . 0.0 111.024 -178.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 96.2 t -91.52 111.17 23.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.659 -178.094 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.474 ' HB2' ' HB3' ' A' ' 22' ' ' GLU . 4.8 m -84.7 106.97 16.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.799 177.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.577 ' CD2' HG22 ' A' ' 17' ' ' THR . 23.1 p90 -118.54 166.06 13.17 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.68 -175.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.48 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 29.6 m170 -107.78 133.67 51.84 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.79 175.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.532 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 5.1 m-20 -80.82 145.33 31.47 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 169.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -75.06 -8.75 57.42 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 172.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.488 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 48.3 tt0 -68.32 -26.3 65.55 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.361 170.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.08 21.85 5.47 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.003 -0.617 . . . . 0.0 112.697 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.532 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 88.5 m-20 -110.03 163.2 13.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.961 0.41 . . . . 0.0 111.265 -177.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -140.38 119.97 13.25 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 173.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.2 ptp -153.65 169.2 23.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.65 0.262 . . . . 0.0 110.62 -175.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.534 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . 71.2 mt-30 -112.99 126.97 56.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.047 -176.362 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.689 HD11 ' HB ' ' A' ' 47' ' ' VAL . 3.5 pt -102.85 166.36 2.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 172.557 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.611 ' HA ' ' HG ' ' A' ' 29' ' ' LEU . 62.0 t30 -76.58 152.88 35.78 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 120.822 0.344 . . . . 0.0 111.666 -174.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 9.0 tpt180 -60.9 -36.14 78.47 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 121.26 0.552 . . . . 0.0 110.133 177.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -80.2 -9.73 59.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.446 ' O ' ' HB ' ' A' ' 9' ' ' THR . 33.6 t70 -90.06 -36.15 15.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.632 -176.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.689 ' HB ' HD11 ' A' ' 42' ' ' ILE . 13.2 p -72.64 144.26 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.83 -0.434 . . . . 0.0 109.83 176.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.1 t -130.8 -65.49 0.79 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.408 -176.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -135.45 141.64 45.42 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -171.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 50.7 mm . . . . . 0 C--N 1.323 -0.553 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 169.431 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 59.9 ttp -144.96 116.2 7.96 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.06 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.702 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . . . -91.02 122.05 33.35 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.509 ' HB ' ' O ' ' A' ' 46' ' ' ASP . 62.2 p -92.25 -177.63 4.71 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.932 0.396 . . . . 0.0 111.837 -176.379 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.448 ' HB3' ' NZ ' ' A' ' 10' ' ' LYS . 6.1 ttpm? -41.6 -46.39 3.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.832 -1.076 . . . . 0.0 112.276 -178.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.47 4.1 22.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.846 -170.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.75 2.75 90.64 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.448 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -83.59 136.87 34.08 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 67.0 mtt -92.06 118.94 31.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.489 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.4 mm -84.93 129.62 37.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.43 65.46 5.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.382 0.61 . . . . 0.0 110.634 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.498 ' HA ' ' O ' ' A' ' 33' ' ' HIS . 35.1 p -73.62 134.77 43.74 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.75 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -56.99 -38.26 72.79 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 172.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.96 175.45 23.66 Favored Glycine 0 CA--C 1.499 -0.926 0 CA-C-O 118.958 -0.912 . . . . 0.0 111.532 164.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HE2' ' HB3' ' A' ' 20' ' ' LYS . 31.0 mtpt 71.94 71.52 0.28 Allowed Pre-proline 0 N--CA 1.454 -0.27 0 C-N-CA 118.697 -1.201 . . . . 0.0 113.249 164.15 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -82.16 105.52 1.48 Allowed 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 122.364 2.043 . . . . 0.0 111.389 176.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -82.93 108.87 16.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.573 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.55 HG12 HG22 ' A' ' 30' ' ' VAL . 52.3 mt -78.89 116.88 23.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.704 -178.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -71.01 94.92 1.13 Allowed 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 174.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -66.44 -19.28 65.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.313 -172.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.22 -48.04 83.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.468 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.716 HG23 ' HG ' ' A' ' 29' ' ' LEU . 9.1 t -116.14 -26.27 7.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.737 -175.144 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.24 34.21 4.6 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.5 -177.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.716 ' HG ' HG23 ' A' ' 27' ' ' THR . 63.0 mt -101.01 161.19 13.77 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 175.325 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.55 HG22 HG12 ' A' ' 23' ' ' ILE . 60.1 t -121.5 110.35 27.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.021 0.438 . . . . 0.0 110.61 178.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' A' ' 40' ' ' MET . 66.9 m -78.04 101.89 7.16 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.2 177.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -116.69 153.89 31.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 -176.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.571 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 32.5 m170 -109.05 123.15 48.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.683 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.66 163.95 13.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.701 174.206 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -74.46 58.79 0.78 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.904 0.859 . . . . 0.0 110.99 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.53 ' HB3' ' HB2' ' A' ' 38' ' ' ASN . 22.0 tp60 -150.15 7.39 0.61 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.749 -1.114 . . . . 0.0 108.823 176.489 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.66 43.8 91.14 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 109.028 -1.629 . . . . 0.0 109.028 -167.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.571 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 9.4 t-20 -111.63 114.3 27.25 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.804 -0.698 . . . . 0.0 110.64 -167.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.94 107.73 18.66 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.485 ' O ' ' HA ' ' A' ' 31' ' ' SER . 68.1 mtm -127.02 161.79 27.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.617 -177.358 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -120.1 111.71 18.2 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.432 HG23 ' HB ' ' A' ' 30' ' ' VAL . 7.9 tp -105.64 141.1 21.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.577 -177.44 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -62.54 146.21 52.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.044 0.45 . . . . 0.0 111.618 -176.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -59.47 -25.81 64.71 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.09 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -83.77 -9.27 58.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.886 0.375 . . . . 0.0 111.029 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.509 ' O ' ' HB ' ' A' ' 9' ' ' THR . 11.5 m-20 -97.79 -22.79 16.2 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.863 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.2 m -85.11 163.14 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 171.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.6 t -151.45 -78.94 0.12 Allowed 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.226 -0.59 . . . . 0.0 112.056 -176.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.702 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 10.2 mm100 -103.23 116.8 33.16 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.029 0.442 . . . . 0.0 112.165 -167.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.9 mt . . . . . 0 CA--C 1.536 0.44 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.47 176.899 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 121.042 0.449 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.3 ttp -130.8 127.97 39.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.326 -174.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.465 ' HB2' ' SD ' ' A' ' 14' ' ' MET . . . -98.08 127.82 44.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.982 176.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.9 p -113.09 -176.69 2.95 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.85 -176.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.541 ' HB3' ' NZ ' ' A' ' 10' ' ' LYS . 5.6 ttpm? -29.14 -55.02 0.13 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.85 1.26 . . . . 0.0 112.994 174.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.422 ' HB2' ' HG2' ' A' ' 13' ' ' ARG . 2.1 m-20 -68.9 -7.79 38.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.389 -171.05 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.16 16.25 80.69 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -174.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.425 ' O ' ' HA ' ' A' ' 8' ' ' ALA . 9.0 ptp180 -88.26 142.8 27.45 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.465 ' SD ' ' HB2' ' A' ' 8' ' ' ALA . 26.4 mmt -97.4 103.27 15.19 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.493 178.085 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mt -83.67 111.96 20.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.82 77.69 1.6 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.95 177.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.501 HG22 ' HD2' ' A' ' 32' ' ' TYR . 71.8 p -69.31 155.85 39.75 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.644 -178.131 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.52 -35.08 79.37 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 171.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.89 169.53 15.12 Favored Glycine 0 CA--C 1.505 -0.583 0 CA-C-N 114.432 -1.258 . . . . 0.0 110.621 168.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.5 mttt 73.76 90.39 0.07 OUTLIER Pre-proline 0 C--N 1.347 0.48 0 CA-C-N 118.573 1.187 . . . . 0.0 114.005 163.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -90.34 108.61 0.36 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.751 2.301 . . . . 0.0 111.852 173.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -91.7 104.22 16.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.0 mt -75.89 113.45 14.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.752 -177.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -82.01 106.72 14.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.693 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -66.18 -22.68 66.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.262 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.36 -68.37 0.28 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.415 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.465 HG23 ' HG ' ' A' ' 29' ' ' LEU . 3.7 t -96.39 -9.48 29.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.983 -172.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.18 37.53 32.03 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.033 -1.08 . . . . 0.0 110.955 -177.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.465 ' HG ' HG23 ' A' ' 27' ' ' THR . 41.9 mt -121.9 177.45 5.29 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.601 HG23 ' HA ' ' A' ' 44' ' ' ARG . 70.3 t -128.62 114.98 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.551 0.215 . . . . 0.0 110.772 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.9 m -80.32 99.87 8.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.197 175.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.501 ' HD2' HG22 ' A' ' 17' ' ' THR . 8.6 p90 -101.81 177.17 4.98 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.607 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 68.7 m80 -117.95 122.5 43.43 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 178.652 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.636 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -54.85 175.49 0.06 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 177.442 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -62.42 -30.62 71.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.515 -1.221 . . . . 0.0 108.681 169.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.538 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 59.5 mm-40 -84.13 -13.72 52.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.87 178.291 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.37 0.53 47.11 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.882 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.636 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 84.1 m-20 -56.86 129.59 42.1 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 122.393 0.277 . . . . 0.0 111.635 -178.133 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.48 100.96 11.08 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 171.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 37.5 mtp -128.5 146.65 50.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.267 -173.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.485 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 74.3 mt-30 -101.81 124.09 46.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.225 -175.216 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.608 HD11 HG22 ' A' ' 47' ' ' VAL . 13.2 pt -107.39 178.33 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 171.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.984 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 10.1 t-20 -75.64 128.31 34.96 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 110.197 -0.298 . . . . 0.0 110.197 -178.44 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.601 ' HA ' HG23 ' A' ' 30' ' ' VAL . 49.8 ttp180 -54.18 -43.52 70.77 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.206 0.527 . . . . 0.0 111.402 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -86.41 7.63 24.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.925 -176.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.984 ' HB2' ' HB3' ' A' ' 43' ' ' ASN . 8.0 t70 -95.39 -19.72 19.69 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.307 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.608 HG22 HD11 ' A' ' 42' ' ' ILE . 3.8 t -68.31 107.54 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.453 177.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.7 t -86.21 -48.81 8.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.529 -172.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -164.12 137.94 5.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 110.882 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 C--N 1.318 -0.798 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 170.842 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.488 ' SD ' HG23 ' A' ' 47' ' ' VAL . 16.3 tmm? -96.93 117.16 30.51 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' ' 48' ' ' SER . . . -91.9 126.79 37.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.006 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.0 p -95.49 165.41 12.36 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.061 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.406 ' HE2' ' O ' ' A' ' 45' ' ' ASP . 37.3 ttpt -78.47 -18.39 54.92 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 172.177 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -63.13 -42.69 99.54 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.354 174.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.33 -23.5 5.75 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.733 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -70.22 143.45 52.18 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.098 0.475 . . . . 0.0 111.277 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.5 mmt -110.26 119.47 39.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.727 178.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.448 HG21 ' CE2' ' A' ' 32' ' ' TYR . 72.8 mt -108.99 126.21 66.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.887 -178.142 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.28 137.09 52.75 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.652 ' HB ' ' H ' ' A' ' 19' ' ' GLY . 13.3 p -141.18 169.39 17.7 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.373 -176.265 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -90.26 -4.9 56.89 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 164.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.652 ' H ' ' HB ' ' A' ' 17' ' ' THR . . . 108.38 -169.85 14.54 Favored Glycine 0 CA--C 1.501 -0.785 0 CA-C-N 113.829 -1.532 . . . . 0.0 110.915 172.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.0 mttt 71.15 72.3 0.28 Allowed Pre-proline 0 C--O 1.234 0.25 0 C-N-CA 119.093 -1.043 . . . . 0.0 113.162 162.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -77.86 105.2 1.98 Allowed 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.664 2.243 . . . . 0.0 111.514 175.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.551 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 34.1 tt0 -81.63 105.32 12.69 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.6 mt -79.41 107.66 12.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.043 0.449 . . . . 0.0 110.68 -176.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -79.91 134.53 36.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.388 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -108.0 9.5 28.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.382 0.611 . . . . 0.0 110.869 -178.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -87.77 -44.6 11.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.011 178.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.554 HG23 ' HG ' ' A' ' 29' ' ' LEU . 5.3 t -112.83 -19.08 12.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.437 173.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.3 35.32 12.34 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.055 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.554 ' HG ' HG23 ' A' ' 27' ' ' THR . 43.7 mt -113.0 155.8 24.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.971 0.415 . . . . 0.0 110.218 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.84 112.55 36.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.646 -177.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.551 ' HB2' ' HB3' ' A' ' 22' ' ' GLU . 15.5 m -83.02 111.68 19.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.093 0.473 . . . . 0.0 110.742 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.652 ' CE1' HG23 ' A' ' 42' ' ' ILE . 3.2 p90 -111.09 149.1 31.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.777 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -102.82 123.7 46.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.809 -175.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.718 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -61.36 160.45 10.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.289 -179.02 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -74.27 -14.89 60.98 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 168.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.567 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 82.8 mt-30 -85.22 -6.09 59.29 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.461 176.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.28 35.08 12.67 Favored Glycine 0 C--O 1.229 -0.204 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.01 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.718 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 84.9 m-20 -107.95 161.84 14.57 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -121.73 107.49 12.41 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.938 0.399 . . . . 0.0 110.01 174.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.432 ' O ' ' HA ' ' A' ' 31' ' ' SER . 76.3 mtm -121.82 170.97 9.24 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.892 -178.421 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -131.93 129.46 40.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.692 0.282 . . . . 0.0 111.359 -175.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.893 HD11 ' HB ' ' A' ' 47' ' ' VAL . 10.8 pt -108.4 -177.89 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.437 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.419 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 55.1 t30 -84.42 148.95 26.31 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.731 0.301 . . . . 0.0 110.875 -179.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.547 ' O ' HG12 ' A' ' 47' ' ' VAL . 27.3 ttp85 -62.91 -42.13 99.68 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -175.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.406 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 3.9 p-10 -89.45 3.93 50.75 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.761 -178.347 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.419 ' HB2' ' HB3' ' A' ' 43' ' ' ASN . 38.8 t70 -88.28 -34.79 17.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.16 0.505 . . . . 0.0 109.696 176.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.893 ' HB ' HD11 ' A' ' 42' ' ' ILE . 11.5 p -72.4 147.29 10.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.285 178.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' ' 8' ' ' ALA . 30.3 t -117.57 -76.73 0.57 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 177.64 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -146.23 152.87 39.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.666 0.27 . . . . 0.0 110.64 -177.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.494 ' H ' HD12 ' A' ' 50' ' ' ILE . 4.2 mp . . . . . 0 C--N 1.325 -0.478 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 174.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.448 -0.526 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -136.78 116.59 13.11 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.739 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . . . -104.49 124.17 48.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.083 179.14 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.5 p -82.75 172.31 13.02 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.417 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -75.03 -0.07 17.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.361 0.601 . . . . 0.0 110.495 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -73.85 -36.91 64.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.708 173.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.72 -3.64 21.31 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.774 -175.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -86.27 137.8 32.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.944 0.402 . . . . 0.0 110.287 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 50.9 ttm -102.65 105.81 16.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.138 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.7 mt -97.41 137.24 25.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.936 -175.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -85.39 118.81 25.15 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 175.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.414 HG22 ' HD2' ' A' ' 32' ' ' TYR . 13.9 p -121.46 143.77 49.06 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.115 -172.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.939 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 25.2 t70 -64.19 111.04 2.4 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 161.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.614 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -62.58 156.13 39.76 Favored Glycine 0 CA--C 1.496 -1.125 0 CA-C-O 118.517 -1.157 . . . . 0.0 112.325 -163.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.614 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 58.9 mttp 82.61 70.3 0.11 Allowed Pre-proline 0 C--N 1.351 0.662 0 C-N-CA 119.078 -1.049 . . . . 0.0 110.804 178.022 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -88.38 162.14 6.81 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.795 2.33 . . . . 0.0 112.778 -176.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.548 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 13.3 mm-40 -100.35 97.22 8.0 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.627 -178.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.61 HG12 HG13 ' A' ' 30' ' ' VAL . 5.9 mt -85.41 97.92 6.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.497 -0.481 . . . . 0.0 109.751 174.685 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.585 ' OD1' HG22 ' A' ' 27' ' ' THR . 15.7 t70 -83.86 98.62 9.85 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 174.649 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -75.44 -10.96 59.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.244 0.545 . . . . 0.0 109.903 -174.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.473 ' HB3' ' OD1' ' A' ' 24' ' ' ASP . 15.9 t70 -67.21 -51.62 51.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.406 178.307 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.585 HG22 ' OD1' ' A' ' 24' ' ' ASP . 8.8 t -87.94 -23.22 23.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.935 0.398 . . . . 0.0 110.272 174.127 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.3 24.07 38.19 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 121.026 -0.606 . . . . 0.0 111.952 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.403 ' H ' HG23 ' A' ' 27' ' ' THR . 26.3 mt -116.61 142.98 46.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.952 0.406 . . . . 0.0 110.344 -177.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.61 HG13 HG12 ' A' ' 23' ' ' ILE . 61.9 t -108.88 107.21 22.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.776 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.548 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . 15.1 m -82.01 119.66 24.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.11 179.139 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.559 ' CE1' HG23 ' A' ' 42' ' ' ILE . 6.6 p90 -129.43 154.36 47.03 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.981 -178.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.939 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 73.5 m80 -104.74 136.92 43.36 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.904 0.383 . . . . 0.0 110.497 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.724 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.9 OUTLIER -68.18 165.56 18.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.61 176.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.534 ' OE1' ' HA ' ' A' ' 35' ' ' GLN . 5.9 tp60 -74.51 -14.34 60.8 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 172.134 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.518 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 6.4 tp-100 -83.85 -20.03 33.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.304 176.163 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.86 8.44 27.95 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.66 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.724 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 87.4 m-20 -75.06 152.48 38.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.702 0.287 . . . . 0.0 110.766 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.8 101.18 8.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.976 0.417 . . . . 0.0 110.036 176.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 70.6 mtm -123.29 174.27 7.41 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.586 -175.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 45.9 mt-30 -138.54 129.32 26.54 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.674 -176.223 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.608 HD11 HG22 ' A' ' 47' ' ' VAL . 13.0 pt -109.33 -178.24 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 172.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.588 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 49.9 t30 -91.05 149.25 21.9 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.847 0.356 . . . . 0.0 110.806 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 -53.2 -51.7 61.24 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 123.803 0.841 . . . . 0.0 113.203 -175.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -84.55 5.54 27.28 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -173.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.588 ' OD1' ' HB3' ' A' ' 43' ' ' ASN . 3.3 m-20 -87.58 -18.82 28.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.083 0.468 . . . . 0.0 110.11 174.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.608 HG22 HD11 ' A' ' 42' ' ' ILE . 3.4 t -72.09 146.35 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.662 178.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.2 t -146.44 -75.15 0.21 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.377 -0.529 . . . . 0.0 112.216 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.739 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 47.5 mt-30 -102.63 108.14 19.3 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 -168.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.9 pt . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.595 174.884 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 N--CA 1.465 0.303 0 CA-C-O 121.283 0.563 . . . . 0.0 111.841 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 59.8 ttp -99.21 106.85 19.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.471 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.77 110.91 22.52 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.472 175.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.9 p -88.06 164.9 15.52 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 121.251 0.548 . . . . 0.0 111.105 -177.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.657 ' HB2' ' HB2' ' A' ' 48' ' ' SER . 30.5 ttpt -82.89 -0.47 48.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.864 -174.306 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.54 ' OD1' ' HG2' ' A' ' 13' ' ' ARG . 1.8 p30 -88.07 -16.74 32.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.982 0.42 . . . . 0.0 110.028 175.338 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.62 -27.55 6.83 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.665 -0.779 . . . . 0.0 113.257 176.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.54 ' HG2' ' OD1' ' A' ' 11' ' ' ASP . 11.7 ptm180 -74.54 149.02 40.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.17 0.51 . . . . 0.0 111.067 -178.153 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 50.8 ttm -121.97 114.33 20.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.766 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.9 mt -102.25 134.83 41.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.949 -174.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -77.87 86.53 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.153 0.501 . . . . 0.0 110.735 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.9 p -101.99 126.56 48.94 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.262 174.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.53 -30.28 71.18 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.761 176.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.07 -179.74 30.05 Favored Glycine 0 CA--C 1.501 -0.811 0 C-N-CA 120.34 -0.933 . . . . 0.0 112.303 163.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 79.2 mttt 73.19 73.2 0.23 Allowed Pre-proline 0 N--CA 1.45 -0.433 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 165.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -94.43 116.59 0.24 Allowed 'Trans proline' 0 N--CA 1.443 -1.494 0 C-N-CA 123.508 2.806 . . . . 0.0 110.934 172.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.68 102.44 9.88 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -178.491 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.4 mt -70.77 107.22 2.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.029 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -73.17 128.56 35.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.059 -177.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.649 ' HA ' ' NH2' ' A' ' 44' ' ' ARG . 4.6 p30 -102.49 8.54 39.95 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -177.056 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -104.99 -47.35 4.03 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-O 122.415 1.102 . . . . 0.0 108.802 175.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.19 -12.28 24.88 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 113.128 -1.851 . . . . 0.0 112.218 -165.421 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.17 20.96 78.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.419 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.3 mt -117.6 176.97 4.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.646 -0.277 . . . . 0.0 110.633 -176.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.585 HG21 HG21 ' A' ' 47' ' ' VAL . 39.3 t -135.03 115.92 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.403 178.395 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 40' ' ' MET . 5.9 m -79.92 101.57 8.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.965 -178.353 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.476 ' HD1' ' H ' ' A' ' 32' ' ' TYR . 1.1 p90 -105.77 169.09 8.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.948 0.404 . . . . 0.0 110.215 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -115.55 117.21 29.69 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.015 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.588 ' HB3' ' H ' ' A' ' 36' ' ' GLN . 54.6 m-20 -62.65 158.49 18.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.938 177.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -76.41 -8.52 57.31 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 168.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.588 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 26.2 tp60 -85.91 -10.96 54.37 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.354 177.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.16 30.75 9.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 113.33 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.534 ' H ' ' HB2' ' A' ' 34' ' ' ASP . 55.4 m-80 -118.5 146.17 44.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 117.088 0.444 . . . . 0.0 110.757 176.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.25 102.79 12.18 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.468 ' O ' ' HA ' ' A' ' 31' ' ' SER . 62.5 mtm -124.46 169.91 11.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.264 -175.25 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.498 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 35.8 mt-30 -122.8 115.74 22.53 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.397 -175.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.53 HD11 HG22 ' A' ' 47' ' ' VAL . 8.3 pt -94.59 177.23 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 175.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.629 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 11.7 t30 -76.33 134.73 39.63 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.675 0.274 . . . . 0.0 110.285 -178.522 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.649 ' NH2' ' HA ' ' A' ' 25' ' ' ASP . 29.7 ttm180 -57.7 -36.67 72.29 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -174.016 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -70.53 -7.1 41.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.817 -172.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.629 ' OD1' ' HB3' ' A' ' 43' ' ' ASN . 9.3 m-20 -90.84 -33.53 15.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.606 0.241 . . . . 0.0 111.184 -178.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.585 HG21 HG21 ' A' ' 30' ' ' VAL . 15.8 t -66.43 121.56 15.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.159 -176.234 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.657 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . 33.0 t -125.01 -70.13 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.776 -174.376 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -120.23 116.14 25.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.794 0.331 . . . . 0.0 111.495 -173.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.3 mm . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.429 178.438 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.1 ttp -130.89 104.74 7.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.974 0.416 . . . . 0.0 109.948 -178.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.831 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . . . -87.56 141.02 28.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.234 -179.114 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.589 HG22 ' HA ' ' A' ' 47' ' ' VAL . 20.6 p -104.38 169.57 8.4 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.405 -176.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.55 ' HB2' ' HB2' ' A' ' 48' ' ' SER . 32.3 ttpt -80.92 -7.88 59.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.363 0.601 . . . . 0.0 110.142 -177.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -101.02 7.52 43.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.628 175.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.84 26.1 54.4 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.799 -0.637 . . . . 0.0 113.536 174.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -98.52 130.31 45.1 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 176.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -96.42 94.83 7.64 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.767 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.8 mt -92.83 134.32 31.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.58 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -89.72 142.06 28.04 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' A' ' 33' ' ' HIS . 17.6 p -135.82 176.01 9.07 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.884 -177.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -102.28 18.2 21.54 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 106.865 -1.532 . . . . 0.0 106.865 165.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.99 -159.48 37.71 Favored Glycine 0 CA--C 1.503 -0.706 0 CA-C-N 112.811 -1.995 . . . . 0.0 109.85 -173.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.0 mttm 65.74 51.0 0.79 Allowed Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 155.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.491 ' HG3' HD13 ' A' ' 50' ' ' ILE . 89.3 Cg_endo -81.05 140.4 12.49 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.845 1.696 . . . . 0.0 112.349 -178.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -106.05 112.32 25.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.21 177.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.581 HG12 HG22 ' A' ' 30' ' ' VAL . 52.9 mt -91.71 109.73 21.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 CA-C-O 121.255 0.55 . . . . 0.0 109.947 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -74.81 95.12 2.86 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.281 178.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -78.89 -1.94 37.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.445 -170.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -71.63 -32.1 67.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.002 0.43 . . . . 0.0 110.394 174.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.614 HG23 ' HG ' ' A' ' 29' ' ' LEU . 2.8 t -127.49 -32.03 2.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.544 -176.013 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . 104.5 36.2 3.12 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.415 -0.898 . . . . 0.0 111.739 -175.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.614 ' HG ' HG23 ' A' ' 27' ' ' THR . 80.3 mt -104.8 167.73 9.53 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 176.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.581 HG22 HG12 ' A' ' 23' ' ' ILE . 77.9 t -135.5 116.86 19.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.813 0.339 . . . . 0.0 110.394 -178.466 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.01 119.47 32.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.388 177.43 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.508 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 7.1 p90 -135.31 171.63 14.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.543 -176.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.535 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 37.4 m80 -114.79 140.29 49.03 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 175.136 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.88 -174.81 4.64 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.118 169.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -70.83 2.31 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.678 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -98.83 -2.56 37.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.011 0.434 . . . . 0.0 110.21 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.65 16.45 80.64 Favored Glycine 0 C--N 1.331 0.269 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -175.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.535 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 12.7 p-10 -94.41 133.22 38.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.909 -0.646 . . . . 0.0 110.608 -177.322 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.508 ' HA ' ' O ' ' A' ' 32' ' ' TYR . . . -96.12 116.98 29.81 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.198 -177.423 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.3 mtm -121.4 169.44 10.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.08 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.453 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 38.7 tt0 -129.77 128.41 42.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.961 0.41 . . . . 0.0 110.724 -173.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.625 HD11 ' HB3' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -134.35 140.9 44.99 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.48 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.534 -175.731 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.427 ' OD1' ' HB2' ' A' ' 45' ' ' ASP . 26.5 t-20 -66.02 136.81 56.55 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 122.384 -0.197 . . . . 0.0 111.283 -177.249 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -66.61 -8.99 30.98 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -170.871 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.427 ' HB2' ' OD1' ' A' ' 43' ' ' ASN . 0.9 OUTLIER -79.65 -11.11 59.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.967 0.413 . . . . 0.0 110.699 176.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.625 ' HB3' HD11 ' A' ' 42' ' ' ILE . 13.4 t70 -86.65 -45.95 10.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.996 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.589 ' HA ' HG22 ' A' ' 9' ' ' THR . 6.8 m -70.46 163.86 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-O 120.936 0.398 . . . . 0.0 111.319 178.226 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.55 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . 36.2 t -157.55 -69.83 0.1 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.041 -179.14 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.831 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 78.4 mt-30 -93.82 98.47 11.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.254 0.549 . . . . 0.0 111.621 -174.182 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.491 HD13 ' HG3' ' A' ' 21' ' ' PRO . 13.7 tt . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.794 171.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.738 0.304 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -118.75 12.68 13.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.425 -169.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.47 134.46 62.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.173 0.511 . . . . 0.0 111.329 177.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.493 ' HG3' HD11 ' A' ' 50' ' ' ILE . 56.1 ttp -113.03 101.14 9.18 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.368 179.072 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.618 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . . . -80.28 122.64 27.14 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 173.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.4 p -104.04 -179.66 4.01 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -171.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.68 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 33.7 ttpt -48.9 -43.09 38.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.507 -1.224 . . . . 0.0 112.161 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -78.0 -2.61 37.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.579 -175.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.28 -7.27 82.08 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.597 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 13' ' ' ARG . 7.5 ptp85 -74.45 134.52 42.33 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.087 0.47 . . . . 0.0 110.455 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.5 ttm -91.71 114.85 27.49 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.097 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.7 mt -95.89 125.95 48.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.516 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 16' ' ' LEU . 2.9 mm? -75.28 111.28 10.37 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 176.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.522 ' HB ' ' H ' ' A' ' 19' ' ' GLY . 3.7 p -110.95 156.66 20.89 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.365 -176.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.926 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 7.5 t70 -65.2 -22.37 66.89 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 164.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.522 ' H ' ' HB ' ' A' ' 17' ' ' THR . . . 93.96 -170.14 30.22 Favored Glycine 0 CA--C 1.496 -1.127 0 CA-C-N 113.438 -1.71 . . . . 0.0 110.956 171.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp 65.86 55.03 1.04 Allowed Pre-proline 0 CA--C 1.534 0.339 0 C-N-CA 118.751 -1.18 . . . . 0.0 111.82 160.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -85.55 149.63 10.1 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.531 2.154 . . . . 0.0 113.808 -170.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -109.36 117.7 34.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.432 177.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.533 HG12 HG22 ' A' ' 30' ' ' VAL . 50.5 mt -95.65 130.47 44.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.804 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -82.85 96.36 8.22 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 169.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -77.58 2.35 16.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.632 -170.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -87.11 -12.89 45.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.983 0.421 . . . . 0.0 110.266 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.547 HG23 ' HG ' ' A' ' 29' ' ' LEU . 6.4 t -137.74 -35.52 0.65 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.204 178.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.432 ' O ' ' HG2' ' A' ' 44' ' ' ARG . . . 105.14 32.49 4.01 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.573 -179.191 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.547 ' HG ' HG23 ' A' ' 27' ' ' THR . 52.2 mt -103.23 132.59 49.37 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.6 HG21 HG21 ' A' ' 47' ' ' VAL . 46.8 t -107.08 110.87 33.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.277 -174.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.4 m -84.52 105.17 15.13 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.475 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.475 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 16.3 p90 -110.47 175.56 5.38 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.926 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 24.9 m170 -120.59 117.58 27.96 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.509 ' HB3' ' OE1' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -74.36 175.83 7.3 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.178 0.513 . . . . 0.0 111.698 175.88 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -57.35 -31.72 66.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.45 -177.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.509 ' OE1' ' HB3' ' A' ' 34' ' ' ASP . 15.8 mp0 -80.61 0.34 34.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.797 -175.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.6 35.32 29.18 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.489 -0.862 . . . . 0.0 111.284 -176.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.514 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 92.7 m-20 -103.18 125.72 50.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.692 -0.254 . . . . 0.0 110.911 -177.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.475 ' HA ' ' O ' ' A' ' 32' ' ' TYR . . . -90.69 100.22 13.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.942 176.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 77.8 mtm -121.91 160.26 25.16 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.155 -177.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.541 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 77.2 mt-30 -113.97 124.59 52.54 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.173 -176.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.608 HD11 HG22 ' A' ' 47' ' ' VAL . 10.9 pt -110.0 -179.79 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.903 0.382 . . . . 0.0 110.319 175.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -85.11 137.57 32.95 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.056 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 28' ' ' GLY . 0.8 OUTLIER -57.16 -35.49 69.6 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 123.12 0.263 . . . . 0.0 111.497 177.65 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.52 -19.28 62.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.06 0.457 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.68 ' HA ' ' HB2' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -86.09 -11.89 51.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.538 178.584 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.608 HG22 HD11 ' A' ' 42' ' ' ILE . 15.6 t -82.17 116.56 26.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 175.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.1 t -105.94 -72.4 0.72 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.665 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.618 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 15.6 mm100 -124.88 110.71 14.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.122 0.487 . . . . 0.0 111.913 -175.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.493 HD11 ' HG3' ' A' ' 7' ' ' MET . 49.9 mm -104.97 -56.13 5.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 171.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.55 HG12 ' H ' ' A' ' 52' ' ' GLU . 15.0 tt -178.32 175.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 178.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.55 ' H ' HG12 ' A' ' 51' ' ' ILE . 32.1 tt0 -68.34 107.6 2.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.336 0.589 . . . . 0.0 110.03 177.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.454 ' HG3' HH11 ' A' ' 53' ' ' ARG . 59.9 mtm-85 . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.915 -173.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 . . . . . 0 CA--C 1.518 -0.251 0 CA-C-O 120.903 0.382 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -136.77 176.13 8.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.306 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.2 p -172.74 139.32 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.969 0.414 . . . . 0.0 110.568 -178.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 59.1 ttp -121.29 105.11 10.24 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.77 ' HB3' ' HG3' ' A' ' 49' ' ' GLN . . . -93.86 119.79 33.26 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.421 ' HB ' ' OD2' ' A' ' 46' ' ' ASP . 43.0 p -86.12 172.46 10.56 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.355 -175.237 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.561 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 6.7 ttpm? -62.95 -25.99 68.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.835 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -54.78 -31.66 59.12 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.853 175.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.44 16.61 24.26 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.205 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -105.72 144.14 32.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.756 0.313 . . . . 0.0 110.618 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -97.84 104.1 16.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.059 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.4 mt -95.46 115.13 33.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.36 96.52 1.89 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.4 p -102.76 163.28 12.31 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.876 -174.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.5 157.77 25.81 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 169.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.6 72.45 2.83 Favored Glycine 0 CA--C 1.506 -0.47 0 C-N-CA 119.762 -1.208 . . . . 0.0 110.893 -177.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.664 ' H ' ' HD3' ' A' ' 21' ' ' PRO . 4.4 tmtt? 170.31 52.29 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.492 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -155.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.664 ' HD3' ' H ' ' A' ' 20' ' ' LYS . 6.2 Cg_exo -73.81 110.55 3.1 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.696 1.597 . . . . 0.0 110.545 173.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.42 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 4.5 tp10 -76.14 100.83 5.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.738 -176.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.478 HG12 HG22 ' A' ' 30' ' ' VAL . 50.3 mt -94.28 106.92 18.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.721 -175.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -83.09 107.45 15.67 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 174.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -73.52 -11.51 60.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.313 0.577 . . . . 0.0 110.836 -172.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -79.5 -58.16 3.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.971 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.459 ' HB ' HD13 ' A' ' 29' ' ' LEU . 36.7 p -82.9 -28.78 29.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.007 0.432 . . . . 0.0 110.857 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.12 15.09 55.0 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.976 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.459 HD13 ' HB ' ' A' ' 27' ' ' THR . 11.1 mp -95.0 144.49 25.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.336 0.589 . . . . 0.0 111.541 -178.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.478 HG22 HG12 ' A' ' 23' ' ' ILE . 90.0 t -114.81 108.7 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.91 177.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.42 ' HB2' ' HB3' ' A' ' 22' ' ' GLU . 7.5 m -87.7 115.97 25.52 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.836 177.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.548 ' HE1' HG23 ' A' ' 42' ' ' ILE . 27.8 p90 -116.54 141.27 48.4 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.951 0.405 . . . . 0.0 110.596 -177.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.643 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 15.7 t-80 -94.42 117.68 30.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.531 178.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.598 ' HB3' ' H ' ' A' ' 36' ' ' GLN . 56.3 m-20 -66.62 163.24 19.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.16 176.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -70.66 -16.22 62.79 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 166.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.598 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 64.4 tt0 -76.08 -12.52 60.13 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.157 -1.383 . . . . 0.0 110.462 178.066 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.455 ' HA2' ' NE2' ' A' ' 33' ' ' HIS . . . 85.28 37.05 10.13 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.687 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.643 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 92.8 m-20 -119.7 150.52 40.23 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.64 96.61 6.38 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 170.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 32' ' ' TYR . 62.7 mtm -104.5 160.34 15.01 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.17 131.34 53.64 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.236 -175.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.687 HD11 HG22 ' A' ' 47' ' ' VAL . 15.0 pt -114.33 -179.08 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 167.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -99.34 151.27 21.25 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.598 174.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.601 ' HA ' HG23 ' A' ' 47' ' ' VAL . 50.3 ttp180 -63.22 -23.77 67.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.71 -18.67 60.6 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.802 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.561 ' OD1' ' HB3' ' A' ' 10' ' ' LYS . 14.6 t70 -111.71 -0.14 16.1 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.504 -176.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.687 HG22 HD11 ' A' ' 42' ' ' ILE . 8.3 t -78.59 103.94 6.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 176.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.0 t -92.58 -64.7 1.07 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.749 0.309 . . . . 0.0 111.301 -174.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.77 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 12.2 pt20 -138.84 126.38 21.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.193 0.52 . . . . 0.0 111.04 -177.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.405 ' O ' ' HB ' ' A' ' 51' ' ' ILE . 10.3 tt -120.15 -23.79 3.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.382 -178.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.405 ' HB ' ' O ' ' A' ' 50' ' ' ILE . 2.2 mp 71.19 117.55 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.647 177.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -77.61 130.46 36.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 174.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.651 ' O ' ' HD2' ' A' ' 53' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.308 0 CA-C-O 121.686 0.755 . . . . 0.0 112.03 -175.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.2 t70 . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 121.441 0.639 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.623 ' O ' HG22 ' A' ' 6' ' ' VAL . 80.0 m-85 -142.16 -158.12 0.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.771 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 5' ' ' TYR . 2.1 m 62.35 177.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.747 1.219 . . . . 0.0 112.008 179.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.0 ttp -132.45 111.2 11.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.134 0.493 . . . . 0.0 111.25 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.837 ' HB3' ' HB3' ' A' ' 49' ' ' GLN . . . -87.13 139.3 30.71 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 172.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.539 ' OG1' ' HG2' ' A' ' 13' ' ' ARG . 19.0 p -114.11 164.07 14.34 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -175.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -56.14 -39.13 71.79 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.319 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -55.64 -32.52 63.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.224 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.65 56.21 0.87 Allowed Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.803 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.539 ' HG2' ' OG1' ' A' ' 9' ' ' THR . 4.6 ptm180 -150.6 134.37 16.64 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.8 ttm -91.54 110.91 22.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.109 -178.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.6 mt -94.78 120.37 44.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.49 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' A' ' 35' ' ' GLN . 0.3 OUTLIER -74.81 104.79 5.58 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.525 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.422 HG22 ' HD2' ' A' ' 32' ' ' TYR . 15.1 p -97.24 143.23 28.23 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.992 -174.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.652 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 3.1 t70 -62.44 -43.47 98.73 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 168.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.83 -176.42 23.17 Favored Glycine 0 CA--C 1.497 -1.092 0 N-CA-C 109.579 -1.409 . . . . 0.0 109.579 171.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 71.63 78.44 0.21 Allowed Pre-proline 0 N--CA 1.455 -0.195 0 C-N-CA 118.559 -1.257 . . . . 0.0 112.666 164.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -80.94 93.56 1.01 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 121.942 1.762 . . . . 0.0 111.112 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -79.64 87.96 5.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.544 0.688 . . . . 0.0 109.608 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.527 HG12 HG22 ' A' ' 30' ' ' VAL . 30.3 mt -80.7 103.27 7.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.864 -175.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -74.89 97.15 3.26 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 176.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -77.57 2.93 14.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.601 -170.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -69.03 -32.03 71.25 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 174.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.414 HG23 ' HG ' ' A' ' 29' ' ' LEU . 3.8 t -118.88 -26.54 6.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.717 178.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.1 27.98 11.51 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.858 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.414 ' HG ' HG23 ' A' ' 27' ' ' THR . 55.1 mt -106.41 149.98 26.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.932 0.396 . . . . 0.0 110.116 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.527 HG22 HG12 ' A' ' 23' ' ' ILE . 49.0 t -103.57 105.16 17.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.495 -177.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 m -83.55 95.91 8.46 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.303 0.573 . . . . 0.0 109.729 176.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.471 ' CE1' HG23 ' A' ' 42' ' ' ILE . 16.9 p90 -102.2 175.75 5.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.838 -177.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.652 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 8.9 m170 -119.55 129.35 54.62 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.435 ' HB3' ' H ' ' A' ' 36' ' ' GLN . 67.1 m-20 -69.73 163.53 25.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.393 177.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.519 ' HB3' HD12 ' A' ' 16' ' ' LEU . 30.1 pt20 -68.72 -19.77 64.37 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 163.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.435 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 62.6 tt0 -72.84 -27.19 61.79 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.346 -1.297 . . . . 0.0 110.118 177.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.07 20.81 9.42 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.526 -0.845 . . . . 0.0 114.07 174.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.428 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 3.3 m-80 -108.95 160.01 16.36 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 117.535 0.667 . . . . 0.0 109.969 176.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 32' ' ' TYR . . . -107.43 105.43 15.35 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 173.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.6 mtm -112.7 159.89 18.46 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.132 -178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 38.1 mt-30 -115.92 117.26 29.67 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.041 -175.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.597 HD11 HG22 ' A' ' 47' ' ' VAL . 5.9 pt -104.35 -179.66 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 172.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.472 ' ND2' ' HB3' ' A' ' 45' ' ' ASP . 53.4 t30 -89.03 142.05 27.97 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.428 ' HA ' HG23 ' A' ' 47' ' ' VAL . 55.2 ttp180 -68.3 -32.19 72.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.895 0.379 . . . . 0.0 110.691 -178.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.472 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 19.6 t70 -70.78 -20.37 62.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.507 0.67 . . . . 0.0 110.24 175.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.27 -3.28 59.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.288 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.597 HG22 HD11 ' A' ' 42' ' ' ILE . 12.5 t -80.24 103.5 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.7 t -92.57 -33.26 14.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -175.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.837 ' HB3' ' HB3' ' A' ' 8' ' ' ALA . 1.4 tm0? -152.06 149.6 29.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.738 0.304 . . . . 0.0 110.314 178.136 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.1 tt -173.15 -32.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.427 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.1 mt 65.23 99.76 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.741 176.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -99.75 79.66 2.26 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.94 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? . . . . . 0 C--N 1.318 -0.798 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 177.565 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 121.169 0.509 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.766 ' HA ' ' HG3' ' A' ' 52' ' ' GLU . 34.3 m-85 -105.19 93.85 4.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.463 177.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 m -147.57 108.92 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.24 0.543 . . . . 0.0 111.692 -170.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 50.1 ttp -75.53 102.07 5.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.058 174.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.05 120.22 18.37 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.1 p -105.31 172.78 6.61 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.938 0.399 . . . . 0.0 111.924 -173.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -53.54 -38.49 63.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.842 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -66.91 -17.95 65.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.055 -177.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.65 1.37 63.88 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.164 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 ptm85 -96.3 142.1 28.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.945 0.402 . . . . 0.0 110.928 -178.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -93.49 111.78 23.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.364 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.1 mt -91.52 127.34 43.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 175.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.52 111.28 4.62 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -175.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.462 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 1.4 p -124.26 78.75 1.68 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -170.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -93.24 121.61 34.78 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 163.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.459 ' HA3' ' HB2' ' A' ' 33' ' ' HIS . . . 116.42 -60.85 0.42 Allowed Glycine 0 CA--C 1.502 -0.731 0 N-CA-C 108.184 -1.967 . . . . 0.0 108.184 -162.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER 77.13 132.76 0.04 OUTLIER Pre-proline 0 CA--C 1.537 0.466 0 N-CA-C 116.868 2.173 . . . . 0.0 116.868 140.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.528 ' HD2' ' HG2' ' A' ' 20' ' ' LYS . 74.2 Cg_exo -45.3 130.32 11.17 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 124.826 3.684 . . . . 0.0 115.456 -174.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.484 ' HB3' ' OG ' ' A' ' 31' ' ' SER . 10.7 tt0 -117.0 112.39 20.89 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 169.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.9 mt -70.81 108.23 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.122 0.487 . . . . 0.0 110.899 -176.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -82.15 88.06 6.48 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 176.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -80.31 -14.03 58.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.225 -161.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -93.04 -2.48 55.61 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.629 0.728 . . . . 0.0 109.623 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.26 -35.54 3.42 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.163 -173.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.46 12.56 44.37 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.567 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.1 mp -118.14 172.45 7.42 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 -179.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 21' ' ' PRO . 61.5 t -136.75 116.34 16.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.484 ' OG ' ' HB3' ' A' ' 22' ' ' GLU . 7.0 p -82.92 106.91 15.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.842 0.353 . . . . 0.0 111.021 -178.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -113.14 154.87 25.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.022 0.439 . . . . 0.0 109.898 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.469 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 6.9 m-70 -114.89 127.54 55.76 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.812 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.895 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -66.06 174.21 2.65 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.772 0.796 . . . . 0.0 112.92 -178.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -69.67 -9.29 53.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.268 -1.333 . . . . 0.0 110.36 175.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.466 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 27.5 mm-40 -114.87 20.95 14.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.419 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.39 40.47 94.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.825 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.895 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 78.0 m-20 -97.22 117.47 31.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 178.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.86 103.41 15.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.798 0.332 . . . . 0.0 110.93 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 78.9 mtm -131.09 154.49 48.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.764 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -113.22 124.4 52.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.867 0.365 . . . . 0.0 110.807 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.789 HD11 ' HB ' ' A' ' 47' ' ' VAL . 9.0 pt -100.06 -179.0 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.482 175.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -87.88 151.33 22.92 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.667 0.27 . . . . 0.0 110.525 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.2 ttt-85 -63.01 -24.25 67.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.173 0.511 . . . . 0.0 110.313 177.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -86.96 -18.94 29.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.158 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -79.85 -30.46 40.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.815 0.34 . . . . 0.0 110.821 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.789 ' HB ' HD11 ' A' ' 42' ' ' ILE . 9.5 p -85.22 139.35 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.276 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.8 t -108.73 -58.69 1.98 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.678 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -150.35 137.92 19.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.652 0.263 . . . . 0.0 110.518 -178.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.478 HG21 ' HG2' ' A' ' 21' ' ' PRO . 20.6 pt -129.13 138.05 55.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.009 176.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.0 pt -144.72 14.74 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.072 -175.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.766 ' HG3' ' HA ' ' A' ' 5' ' ' TYR . 1.9 mp0 -49.67 -63.72 1.02 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.84 -178.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.7 mtt-85 . . . . . 0 C--N 1.326 -0.421 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.8 p30 . . . . . 0 CA--C 1.527 0.062 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -137.26 136.13 37.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.397 0.617 . . . . 0.0 111.656 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.7 t -134.57 135.56 53.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.7 ttp -119.42 116.32 25.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.193 0.521 . . . . 0.0 111.172 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.75 131.93 35.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.167 174.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.0 p -104.07 167.26 9.88 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.526 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 30.7 ttpt -55.19 -40.64 70.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.542 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -66.82 -27.8 67.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.845 -176.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.65 18.01 11.39 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.367 -0.921 . . . . 0.0 112.703 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -103.97 138.87 39.9 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 176.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 91.8 mmm -94.97 116.98 29.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.823 -174.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.6 mt -102.38 121.06 52.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.273 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -81.39 125.28 30.21 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 33' ' ' HIS . 12.5 p -117.97 143.7 46.15 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.454 0.645 . . . . 0.0 112.051 -173.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.436 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 29.5 t70 -75.62 -9.29 58.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 122.117 0.96 . . . . 0.0 108.525 171.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.48 179.73 18.75 Favored Glycine 0 CA--C 1.503 -0.667 0 CA-C-N 114.31 -1.313 . . . . 0.0 110.804 171.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 8.6 mtpm? 72.63 78.45 0.2 Allowed Pre-proline 0 C--N 1.342 0.279 0 C-N-CA 119.167 -1.013 . . . . 0.0 113.102 166.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -86.17 98.07 0.56 Allowed 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 122.459 2.106 . . . . 0.0 111.84 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 67.2 mm-40 -81.92 90.78 6.48 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.211 0.529 . . . . 0.0 110.719 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.56 HG12 HG22 ' A' ' 30' ' ' VAL . 18.1 mt -85.0 119.59 34.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.153 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.424 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 2.1 p30 -77.59 165.48 24.24 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.141 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -115.68 12.11 15.92 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.259 0.552 . . . . 0.0 110.679 177.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -75.1 -50.33 16.72 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 173.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.656 HG23 ' HG ' ' A' ' 29' ' ' LEU . 5.0 t -130.22 -26.81 2.3 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.377 177.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 24' ' ' ASP . . . 101.0 35.09 4.36 Favored Glycine 0 N--CA 1.441 -0.982 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.307 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.656 ' HG ' HG23 ' A' ' 27' ' ' THR . 64.0 mt -84.26 134.59 34.52 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.355 0.598 . . . . 0.0 110.232 176.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.56 HG22 HG12 ' A' ' 23' ' ' ILE . 44.5 t -91.61 102.69 13.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.32 -178.14 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.564 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . 12.0 m -84.09 103.94 13.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.066 0.46 . . . . 0.0 109.768 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.551 ' CE1' HG23 ' A' ' 42' ' ' ILE . 49.8 p90 -109.78 171.83 7.21 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.57 -175.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.441 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 34.0 m80 -109.54 115.32 29.69 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 173.15 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.691 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -66.48 164.35 16.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.653 0.263 . . . . 0.0 111.147 176.804 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -59.74 -30.82 69.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.491 0.662 . . . . 0.0 109.701 173.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.1 -3.3 38.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.162 -178.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.11 30.14 32.08 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.941 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.691 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 14.9 m120 -97.08 140.77 31.1 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.64 92.4 4.09 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 176.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.465 ' O ' ' HA ' ' A' ' 31' ' ' SER . 21.0 mtm -121.21 169.32 10.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.368 -172.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.532 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . 92.5 mt-30 -125.06 123.3 39.49 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.465 0.172 . . . . 0.0 111.465 -172.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.551 HG23 ' CE1' ' A' ' 32' ' ' TYR . 5.9 pt -105.33 -179.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 170.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.12 144.31 25.6 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 121.218 -0.193 . . . . 0.0 111.001 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 44' ' ' ARG . 14.2 ptt85 -61.05 -31.98 71.62 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.595 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -75.98 -12.48 60.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.503 0.668 . . . . 0.0 110.181 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.526 ' HA ' ' HB2' ' A' ' 10' ' ' LYS . 1.1 m-20 -100.91 2.14 40.56 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.515 -175.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.536 HG22 HD11 ' A' ' 42' ' ' ILE . 12.6 t -82.43 108.49 15.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.0 t -93.08 -63.66 1.19 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.203 -174.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -147.81 144.5 28.23 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.612 HG22 HG23 ' A' ' 51' ' ' ILE . 59.1 mt -130.69 -74.28 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.834 0.35 . . . . 0.0 110.534 178.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.612 HG23 HG22 ' A' ' 50' ' ' ILE . 23.5 pt -128.44 -175.62 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.322 -177.188 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.52 159.03 16.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.625 -178.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.446 ' HD3' ' HA ' ' A' ' 53' ' ' ARG . 50.7 mmt-85 . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 121.738 0.78 . . . . 0.0 112.493 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.5 t70 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.421 ' HB2' ' O ' ' A' ' 17' ' ' THR . 85.3 m-85 -126.35 156.25 40.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.248 0.547 . . . . 0.0 111.481 -176.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.8 p -158.44 153.1 6.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.366 -0.833 . . . . 0.0 109.152 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -129.84 129.32 43.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.898 0.38 . . . . 0.0 110.075 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.41 117.13 29.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.718 -176.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.3 p -90.65 169.23 11.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.057 0.456 . . . . 0.0 111.373 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -77.59 -23.38 49.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.528 175.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.38 -40.79 98.19 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.834 176.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.59 -18.41 7.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.639 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -70.53 137.17 49.94 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 120.999 0.428 . . . . 0.0 110.489 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 92.0 mmm -101.02 95.13 6.37 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 177.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.1 mt -77.89 115.4 19.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.967 0.413 . . . . 0.0 110.927 -174.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.554 HD22 ' H ' ' A' ' 16' ' ' LEU . 2.1 mm? -71.9 121.15 18.55 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 176.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.469 HG22 ' CD2' ' A' ' 32' ' ' TYR . 16.8 p -117.37 151.52 36.86 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.857 0.36 . . . . 0.0 111.381 -175.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -75.67 -32.05 60.01 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 167.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.64 -166.19 26.6 Favored Glycine 0 CA--C 1.502 -0.761 0 CA-C-N 113.829 -1.532 . . . . 0.0 109.809 171.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.534 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 25.8 mmmt 72.95 79.7 0.18 Allowed Pre-proline 0 N--CA 1.455 -0.176 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 161.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -93.93 93.72 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 122.702 2.268 . . . . 0.0 111.735 173.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.416 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 3.5 tp10 -86.44 99.1 11.41 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.65 HG12 HG22 ' A' ' 30' ' ' VAL . 53.5 mt -85.47 125.01 40.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.557 -172.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -98.83 107.2 19.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.506 173.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -72.85 -23.56 60.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.883 -171.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -63.2 -40.13 96.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.943 0.401 . . . . 0.0 111.016 -176.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 t -103.92 -29.25 11.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.717 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.03 39.03 6.22 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.515 -177.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.547 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 63.2 mt -119.25 149.69 41.34 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.65 HG22 HG12 ' A' ' 23' ' ' ILE . 98.0 t -112.28 114.52 47.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.833 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' A' ' 40' ' ' MET . 19.1 m -85.29 101.13 12.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.159 177.218 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.534 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 26.9 p90 -107.15 162.12 14.16 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.174 -178.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -102.9 115.61 30.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.219 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.439 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -66.81 175.52 2.4 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -57.83 -29.14 64.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.099 -1.41 . . . . 0.0 110.554 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -90.51 -2.5 57.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.579 -177.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.99 17.34 59.61 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.033 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.439 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 94.1 m-20 -81.16 132.67 35.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.63 0.253 . . . . 0.0 111.018 -178.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.93 104.35 15.98 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.428 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.522 ' O ' ' HA ' ' A' ' 31' ' ' SER . 23.0 ptp -131.72 164.02 26.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.292 -179.094 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.547 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . 42.0 mt-30 -111.92 124.58 52.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.126 -175.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.622 HD11 HG22 ' A' ' 47' ' ' VAL . 6.3 pt -104.18 176.23 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 170.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -83.54 135.66 34.55 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.552 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.9 ttp85 -61.18 -33.13 72.94 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.065 0.459 . . . . 0.0 110.276 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -63.07 -27.26 69.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.935 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -83.86 -21.2 32.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.622 HG22 HD11 ' A' ' 42' ' ' ILE . 15.7 t -69.78 111.92 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.162 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.8 t -99.63 -64.29 1.05 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.409 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -142.98 179.21 7.17 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 41.0 mm -112.64 -77.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.074 0.464 . . . . 0.0 109.841 177.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.4 tt -115.29 155.86 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.364 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -67.6 156.88 35.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.21 0.529 . . . . 0.0 111.2 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.733 179.731 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 120.781 0.324 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.43 ' HD1' ' HB3' ' A' ' 52' ' ' GLU . 55.2 m-85 -129.94 142.03 50.7 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.904 179.053 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.53 ' H ' ' HG2' ' A' ' 52' ' ' GLU . 9.0 p -175.95 132.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 123.603 0.564 . . . . 0.0 109.858 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.53 ' HG2' HG12 ' A' ' 50' ' ' ILE . 14.6 tmm? -108.39 110.37 21.9 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.108 0.48 . . . . 0.0 109.908 -178.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.792 ' HB3' ' HB3' ' A' ' 49' ' ' GLN . . . -91.69 129.18 37.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.26 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.0 p -93.05 -179.97 5.26 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.691 0.757 . . . . 0.0 112.216 -174.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.408 ' HE2' ' HA ' ' A' ' 46' ' ' ASP . 34.6 ttpt -55.04 -43.34 73.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.231 -1.35 . . . . 0.0 111.691 177.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.559 ' HB2' ' HG2' ' A' ' 13' ' ' ARG . 7.3 m-20 -63.74 -30.56 71.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.883 -176.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.38 -11.54 28.47 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.31 -175.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.559 ' HG2' ' HB2' ' A' ' 11' ' ' ASP . 20.5 ptt180 -71.27 132.26 44.66 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 176.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 87.3 mtp -98.4 117.4 32.74 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.454 -176.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.9 mt -97.68 126.76 50.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.459 -177.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.32 115.34 14.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.523 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 p -129.84 155.52 45.86 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.562 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -84.54 140.42 31.44 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 161.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.615 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -61.12 156.55 33.36 Favored Glycine 0 CA--C 1.499 -0.919 0 CA-C-O 118.69 -1.061 . . . . 0.0 113.235 -158.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.615 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 48.3 mtmt 92.83 76.69 0.03 OUTLIER Pre-proline 0 C--N 1.351 0.634 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 172.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -76.25 130.89 12.4 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 122.332 2.021 . . . . 0.0 111.271 173.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.34 107.41 18.81 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 59.8 mt -87.27 127.31 40.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.109 0.481 . . . . 0.0 111.078 -174.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.472 ' OD1' HG22 ' A' ' 27' ' ' THR . 10.2 t70 -93.81 113.5 25.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.672 177.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -87.52 6.5 33.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.949 -175.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -95.12 -52.81 4.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.848 0.356 . . . . 0.0 110.182 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.704 HG23 ' HG ' ' A' ' 29' ' ' LEU . 7.8 t -98.06 -18.05 18.77 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.979 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.41 33.43 13.92 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.377 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.704 ' HG ' HG23 ' A' ' 27' ' ' THR . 49.5 mt -106.5 162.57 13.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.814 0.34 . . . . 0.0 110.536 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.0 t -123.27 112.33 33.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.97 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' A' ' 40' ' ' MET . 10.9 m -84.18 100.73 11.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.217 0.532 . . . . 0.0 110.586 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -97.54 177.59 5.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.513 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -124.72 132.73 53.36 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.957 0.408 . . . . 0.0 111.893 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.617 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -67.5 151.82 46.71 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.231 168.387 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -74.76 -7.92 54.84 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 170.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.469 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 64.5 tt0 -83.27 -11.27 57.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.152 -1.386 . . . . 0.0 110.164 175.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.22 31.86 8.19 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.635 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.617 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 82.4 m-20 -113.58 128.25 56.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.91 0.386 . . . . 0.0 111.788 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.86 121.47 32.01 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 174.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.437 ' O ' ' HA ' ' A' ' 31' ' ' SER . 72.2 mtm -135.88 157.71 46.19 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -178.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -119.23 125.52 49.35 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.259 -175.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.628 HD11 HG13 ' A' ' 47' ' ' VAL . 4.8 pt -105.39 -179.45 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 169.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.418 ' HB2' ' OD2' ' A' ' 46' ' ' ASP . 62.1 m-80 -81.17 144.92 31.29 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.332 176.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -71.42 -11.16 60.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 122.059 0.933 . . . . 0.0 108.592 172.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -74.2 -21.1 59.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.238 -1.346 . . . . 0.0 110.061 172.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.53 ' HB2' HD12 ' A' ' 42' ' ' ILE . 68.9 m-20 -102.19 -12.83 17.74 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -173.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.628 HG13 HD11 ' A' ' 42' ' ' ILE . 12.7 m -79.2 158.68 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.159 175.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.2 t -152.56 -62.41 0.16 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.664 0.268 . . . . 0.0 111.656 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.792 ' HB3' ' HB3' ' A' ' 8' ' ' ALA . 27.6 tt0 -118.65 100.21 7.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.097 0.475 . . . . 0.0 110.963 -172.211 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.53 HG12 ' HG2' ' A' ' 7' ' ' MET . 66.2 mt -113.7 109.44 28.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.886 178.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.6 mt -102.53 -11.72 8.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.53 ' HG2' ' H ' ' A' ' 6' ' ' VAL . 26.1 mt-10 -52.83 -74.33 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.24 0.543 . . . . 0.0 110.596 -179.207 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.427 ' H ' ' HB2' ' A' ' 52' ' ' GLU . 35.1 ttp180 . . . . . 0 CA--C 1.533 0.325 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.312 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 121.152 0.501 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.491 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 14.7 t80 -151.11 -178.82 6.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.349 -175.074 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.4 p -134.41 140.77 45.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.838 0.351 . . . . 0.0 110.469 -176.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.9 ttp -124.79 115.75 21.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.449 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.44 119.54 31.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.817 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.2 p -97.78 -179.1 4.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.191 0.519 . . . . 0.0 111.834 -176.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -44.94 -41.43 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.789 -1.096 . . . . 0.0 111.745 176.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.55 ' HB2' ' HG2' ' A' ' 13' ' ' ARG . 1.5 m-20 -65.1 -21.27 66.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.331 -174.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.03 0.36 71.45 Favored Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -174.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.55 ' HG2' ' HB2' ' A' ' 11' ' ' ASP . 33.0 ptt180 -82.8 143.18 31.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.86 0.362 . . . . 0.0 110.334 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 63.4 mtt -98.06 104.2 16.22 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.002 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 67.0 mt -84.22 126.33 40.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.256 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -77.45 122.28 24.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.936 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.472 HG22 ' CD2' ' A' ' 32' ' ' TYR . 56.2 p -123.0 158.61 30.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.392 -176.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.464 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 28.9 t70 -74.45 -11.58 60.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 122.304 1.05 . . . . 0.0 108.602 171.035 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.491 ' HA2' ' HB3' ' A' ' 5' ' ' TYR . . . 109.47 165.77 20.14 Favored Glycine 0 CA--C 1.499 -0.942 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.758 172.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt 72.71 78.46 0.2 Allowed Pre-proline 0 C--N 1.343 0.317 0 C-N-CA 118.647 -1.221 . . . . 0.0 111.981 166.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -81.64 119.69 3.38 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.341 2.027 . . . . 0.0 112.3 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -83.2 99.07 9.71 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mt -83.69 108.39 16.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.679 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.469 ' HB3' HG22 ' A' ' 27' ' ' THR . 2.5 m-20 -68.92 113.25 6.16 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -73.72 -27.42 61.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.573 -168.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -84.97 -52.51 5.93 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.439 -175.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.469 HG22 ' HB3' ' A' ' 24' ' ' ASP . 7.7 t -82.88 -29.41 29.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.725 0.298 . . . . 0.0 111.346 -176.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.02 24.15 30.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.688 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.478 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 60.5 mt -101.33 140.31 35.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 46.4 t -100.8 100.34 10.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 120.868 0.365 . . . . 0.0 110.317 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.9 m -85.82 109.56 18.76 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.156 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.472 ' CD2' HG22 ' A' ' 17' ' ' THR . 32.4 p90 -120.07 161.23 21.32 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.031 0.443 . . . . 0.0 111.128 -176.198 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.464 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 32.5 m170 -92.17 124.17 36.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.975 177.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.825 ' HB2' ' H ' ' A' ' 38' ' ' ASN . 8.8 m-20 -64.79 162.19 16.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.167 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -17.69 60.97 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 169.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -83.4 -13.3 55.19 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.982 176.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.01 29.81 8.31 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.094 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.825 ' H ' ' HB2' ' A' ' 34' ' ' ASP . 18.1 m-80 -108.6 -179.62 3.92 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 176.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -136.09 107.3 6.79 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.312 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -135.3 169.51 17.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.758 0.313 . . . . 0.0 110.972 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.521 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 20.0 mp0 -111.17 148.18 33.33 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -170.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.658 HD11 ' HB ' ' A' ' 47' ' ' VAL . 11.1 pt -120.97 -178.91 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 166.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -86.78 143.88 27.31 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -66.11 -25.56 67.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.048 0.451 . . . . 0.0 109.845 176.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.21 -28.32 61.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.065 0.46 . . . . 0.0 110.858 175.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -84.41 -20.27 32.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.797 -174.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.658 ' HB ' HD11 ' A' ' 42' ' ' ILE . 12.1 p -83.04 140.97 15.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 176.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.5 t -128.71 -73.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.812 -173.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -111.45 113.34 25.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.298 0.571 . . . . 0.0 112.01 -175.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.523 HD11 HG21 ' A' ' 47' ' ' VAL . 60.7 mt -118.34 -25.7 2.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.69 173.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.5 mt -108.04 -55.59 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.006 -173.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.597 ' O ' ' HG3' ' A' ' 53' ' ' ARG . 11.6 tp10 61.61 -93.02 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -169.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.597 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 17.2 mtt180 . . . . . 0 N--CA 1.471 0.589 0 C-N-CA 124.118 0.967 . . . . 0.0 109.121 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--O 1.234 0.239 0 CA-C-O 120.834 0.35 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -118.78 17.08 13.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 m 39.35 83.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 124.041 0.838 . . . . 0.0 112.125 -175.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -69.58 108.0 3.65 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.612 -175.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.25 126.81 33.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.486 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.634 ' OG1' ' HG3' ' A' ' 13' ' ' ARG . 27.6 p -95.39 166.47 11.86 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.064 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.419 ' HE2' ' HA ' ' A' ' 46' ' ' ASP . 36.6 ttpt -58.23 -31.38 67.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.899 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.47 -35.96 76.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.464 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.41 -10.04 11.69 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.069 -178.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.634 ' HG3' ' OG1' ' A' ' 9' ' ' THR . 5.7 ptt85 -73.76 124.5 26.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.194 0.521 . . . . 0.0 110.546 177.2 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.8 mmt -89.11 119.58 29.74 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.451 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.8 mt -105.56 124.51 60.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.856 0.36 . . . . 0.0 111.499 -176.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.404 HD22 ' N ' ' A' ' 16' ' ' LEU . 3.4 mm? -69.48 116.22 9.65 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 174.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.506 HG22 ' CD2' ' A' ' 32' ' ' TYR . 12.7 p -130.0 150.56 51.22 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -169.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.746 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 21.6 t70 -63.77 156.03 28.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.919 167.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -78.95 73.03 2.37 Favored Glycine 0 N--CA 1.466 0.641 0 C-N-CA 119.848 -1.168 . . . . 0.0 112.444 -169.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 19.8 tttt 162.52 85.98 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.289 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -158.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -91.9 98.31 0.2 Allowed 'Trans proline' 0 N--CA 1.448 -1.15 0 C-N-CA 122.633 2.222 . . . . 0.0 110.655 169.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -80.09 95.44 6.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.406 0.622 . . . . 0.0 109.709 -173.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.481 HG12 HG22 ' A' ' 30' ' ' VAL . 39.5 mt -80.42 120.34 31.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.927 -175.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -104.59 93.37 4.73 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 174.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -75.42 -17.39 60.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.792 -172.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -55.18 -46.45 75.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.277 176.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 t -94.05 -29.22 15.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.201 175.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.47 32.67 6.84 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.676 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.6 mt -119.25 158.05 26.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.943 0.401 . . . . 0.0 110.476 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.531 HG21 HG21 ' A' ' 47' ' ' VAL . 87.8 t -118.82 110.19 29.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 175.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.1 m -88.34 105.41 17.55 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.264 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.527 ' CZ ' ' HG3' ' A' ' 40' ' ' MET . 42.7 p90 -113.03 175.35 5.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.777 0.322 . . . . 0.0 110.167 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.746 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 30.1 m80 -116.9 128.37 55.16 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 174.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' HB3' ' H ' ' A' ' 36' ' ' GLN . 0.6 OUTLIER -64.04 167.4 6.42 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.284 0.365 . . . . 0.0 111.275 176.475 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -62.61 -23.6 67.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.351 0.596 . . . . 0.0 109.634 171.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.441 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 63.2 mt-30 -73.85 -28.0 61.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.976 176.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.54 7.15 30.34 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.965 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.558 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 42.3 m-80 -76.84 148.89 36.27 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.997 0.398 . . . . 0.0 110.529 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.07 114.91 28.58 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 174.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.527 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 2.7 ptm -146.01 145.91 30.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.984 0.421 . . . . 0.0 111.18 -172.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -105.04 145.74 30.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.569 -173.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.578 HD11 HG22 ' A' ' 47' ' ' VAL . 11.9 pt -122.8 -178.97 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 165.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.417 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 9.1 t-20 -83.8 142.12 30.88 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.354 178.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -65.03 -28.06 69.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.18 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -87.08 -3.98 59.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.272 0.558 . . . . 0.0 110.619 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.419 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 25.7 t70 -93.27 -3.82 52.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.094 -178.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.578 HG22 HD11 ' A' ' 42' ' ' ILE . 2.8 t -86.19 150.34 3.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.158 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.4 t -126.92 -61.53 1.17 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.88 -0.146 . . . . 0.0 111.123 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.85 146.88 49.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 -176.251 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.2 mt -134.94 -57.11 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.475 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.0 pt -112.87 122.34 66.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.734 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -57.01 -70.69 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.504 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 . . . . . 0 C--N 1.325 -0.468 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.692 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.4 ' HB3' ' H ' ' A' ' 20' ' ' LYS . 15.2 t70 . . . . . 0 CA--C 1.519 -0.234 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.522 ' CD2' HG23 ' A' ' 6' ' ' VAL . 39.7 p90 -168.76 -8.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.508 178.648 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.537 ' HB ' HD11 ' A' ' 51' ' ' ILE . 79.2 t -145.12 112.0 1.28 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.878 177.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.585 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 43.7 ttm -98.27 115.42 28.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.609 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.55 108.86 21.65 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.5 p -86.63 -179.34 6.58 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.295 0.569 . . . . 0.0 112.121 -174.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -62.81 -40.61 97.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.189 176.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -58.8 -38.51 78.74 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.263 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.27 -4.0 28.29 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.752 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -68.96 134.71 49.89 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-O 121.223 0.535 . . . . 0.0 110.429 176.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.3 tpt -93.68 100.11 12.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.481 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.585 ' HB ' ' HB3' ' A' ' 7' ' ' MET . 60.9 mt -86.84 119.08 34.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 120.833 0.349 . . . . 0.0 110.308 -178.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.92 91.04 4.15 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' A' ' 33' ' ' HIS . 6.0 p -87.25 134.53 33.53 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -178.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -56.26 -39.94 73.4 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 155.19 142.42 3.43 Favored Glycine 0 CA--C 1.504 -0.651 0 CA-C-N 114.491 -1.231 . . . . 0.0 111.313 161.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' H ' ' HB3' ' A' ' 4' ' ' ASP . 70.9 tttt 79.49 95.42 0.04 OUTLIER Pre-proline 0 C--N 1.349 0.582 0 C-N-CA 118.767 -1.173 . . . . 0.0 112.325 166.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.6 126.85 10.5 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.67 2.247 . . . . 0.0 111.687 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.574 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 5.6 tp10 -85.64 97.95 10.4 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 176.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.46 HG12 HG13 ' A' ' 30' ' ' VAL . 45.2 mt -91.29 116.29 32.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 -173.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -89.46 101.42 14.1 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 171.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -72.84 -28.89 62.8 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.537 -167.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -67.39 -46.03 74.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.285 -177.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.556 HG23 ' HG ' ' A' ' 29' ' ' LEU . 8.1 t -94.23 -17.89 22.24 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.84 30.79 31.08 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.2 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.556 ' HG ' HG23 ' A' ' 27' ' ' THR . 61.6 mt -108.95 136.69 48.07 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.57 ' HB ' HG13 ' A' ' 42' ' ' ILE . 60.0 t -114.23 105.42 18.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 120.838 0.352 . . . . 0.0 110.43 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.574 ' HB3' ' HB3' ' A' ' 22' ' ' GLU . 21.4 t -84.44 101.68 12.21 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.482 0.658 . . . . 0.0 110.223 -179.187 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CE1' HG23 ' A' ' 42' ' ' ILE . 4.6 p90 -97.35 172.73 7.59 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.866 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.477 ' O ' ' HA ' ' A' ' 17' ' ' THR . 37.2 m80 -129.51 114.28 15.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.015 -177.109 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.819 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -60.96 160.54 9.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.26 0.553 . . . . 0.0 112.127 176.645 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -61.12 -27.96 68.76 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.568 169.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -72.91 -19.42 61.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.585 176.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.83 18.77 19.39 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.835 -0.698 . . . . 0.0 111.909 -176.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.819 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 84.2 m-20 -81.57 115.15 20.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.486 0.184 . . . . 0.0 110.645 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.67 91.51 8.69 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 173.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.552 ' O ' ' HA ' ' A' ' 31' ' ' SER . 77.3 mtm -115.35 176.27 5.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.174 -175.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -131.87 121.84 24.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.989 0.424 . . . . 0.0 111.784 -174.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.666 HD11 ' HB ' ' A' ' 47' ' ' VAL . 17.7 pt -100.35 -178.84 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 171.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -88.55 145.51 25.68 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.842 0.353 . . . . 0.0 110.567 175.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -64.32 -18.28 64.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.508 0.671 . . . . 0.0 109.91 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -88.11 -15.71 35.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.863 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.56 -32.11 15.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.978 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.666 ' HB ' HD11 ' A' ' 42' ' ' ILE . 14.8 p -70.76 144.62 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 176.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.0 t -137.21 -66.83 0.5 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.811 0.338 . . . . 0.0 111.21 -175.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -114.6 118.65 34.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.134 0.493 . . . . 0.0 111.811 -174.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 51' ' ' ILE . 43.0 mm -104.15 162.76 4.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 170.064 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.537 HD11 ' HB ' ' A' ' 6' ' ' VAL . 33.4 mt -84.21 68.15 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 174.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -62.13 -40.69 96.77 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.952 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.437 ' HA ' ' HD2' ' A' ' 53' ' ' ARG . 6.6 tpt180 . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.463 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.633 0.254 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.501 ' HB2' ' O ' ' A' ' 17' ' ' THR . 19.7 m-85 -67.25 130.76 44.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.884 -176.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.492 ' HB ' ' SD ' ' A' ' 14' ' ' MET . 14.1 m -130.13 145.01 36.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 120.996 0.426 . . . . 0.0 111.328 -175.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 56.5 ttp -135.07 109.05 8.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.869 177.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.819 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . . . -89.59 121.56 31.91 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.321 -0.4 . . . . 0.0 109.958 178.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.0 p -85.86 178.07 7.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.972 -178.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.455 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 34.7 ttpt -63.06 -22.08 66.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.727 -178.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -65.46 -34.07 77.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.761 174.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.42 -4.28 33.02 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.258 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.429 ' O ' ' HA ' ' A' ' 8' ' ' ALA . 17.3 ptp180 -76.93 133.4 39.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.825 0.345 . . . . 0.0 110.154 177.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.492 ' SD ' ' HB ' ' A' ' 6' ' ' VAL . 52.6 tpp -89.16 100.13 12.98 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 177.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.3 mt -81.33 122.09 35.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.877 -178.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.506 HD22 ' H ' ' A' ' 16' ' ' LEU . 2.0 mm? -75.38 107.71 7.68 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.501 ' O ' ' HB2' ' A' ' 5' ' ' TYR . 6.1 p -110.91 142.58 42.8 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -169.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.96 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 15.9 t70 -71.86 126.69 30.38 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 159.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.621 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -59.4 159.33 20.57 Favored Glycine 0 CA--C 1.502 -0.775 0 CA-C-O 118.149 -1.362 . . . . 0.0 111.805 -166.116 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.621 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 60.6 mttp 91.61 76.98 0.04 OUTLIER Pre-proline 0 C--N 1.354 0.792 0 CA-C-N 117.975 0.887 . . . . 0.0 112.268 176.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -88.04 126.73 2.08 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 122.681 2.254 . . . . 0.0 111.949 176.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.594 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 10.6 mm-40 -85.34 105.74 16.22 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.425 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.0 mt -86.76 104.31 13.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.407 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -85.02 139.35 31.84 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.712 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -109.93 9.66 24.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.92 0.391 . . . . 0.0 111.346 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -86.12 -55.22 4.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.273 0.559 . . . . 0.0 110.291 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.768 HG23 ' HG ' ' A' ' 29' ' ' LEU . 5.0 t -112.12 -12.35 13.68 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.046 177.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.4 34.0 18.14 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.051 177.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.768 ' HG ' HG23 ' A' ' 27' ' ' THR . 55.8 mt -101.39 141.2 34.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.983 0.42 . . . . 0.0 110.812 178.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.2 t -106.46 106.9 21.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.729 176.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.594 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . 5.6 m -81.63 130.56 35.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.721 -177.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.434 ' CE1' HG23 ' A' ' 42' ' ' ILE . 31.2 p90 -140.75 165.17 28.24 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.96 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 20.2 m170 -110.25 133.92 52.76 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.33 170.71 15.83 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 174.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.31 -28.88 68.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.962 0.411 . . . . 0.0 110.636 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -66.01 -32.23 73.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.565 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.22 -5.92 21.57 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.689 -0.767 . . . . 0.0 113.009 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -76.83 150.74 36.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.968 0.413 . . . . 0.0 110.738 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.46 118.93 37.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.883 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.427 ' O ' ' HA ' ' A' ' 31' ' ' SER . 74.7 mtm -122.3 171.33 9.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.543 179.066 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.641 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . 49.0 mt-30 -137.16 116.96 13.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.887 -0.142 . . . . 0.0 110.897 -175.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.5 HD11 HG22 ' A' ' 47' ' ' VAL . 19.2 pt -91.61 -179.71 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.155 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.78 148.45 22.11 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.06 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -56.03 -40.0 72.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.126 177.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -75.42 0.05 18.32 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.532 -177.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.455 ' OD1' ' HB3' ' A' ' 10' ' ' LYS . 25.0 t70 -112.17 -0.57 15.52 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.094 0.473 . . . . 0.0 110.926 -174.218 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.5 HG22 HD11 ' A' ' 42' ' ' ILE . 6.4 t -81.6 109.49 15.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.9 t -109.01 -78.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -173.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.819 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 71.9 mm-40 -109.21 111.78 23.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.685 0.278 . . . . 0.0 111.242 -171.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.8 mt -111.75 -69.27 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.919 0.39 . . . . 0.0 110.062 175.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.2 tt -129.93 -11.43 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.666 -174.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -72.57 164.87 25.75 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.056 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.9 mtt85 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.914 -169.67 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 . . . . . 0 CA--C 1.515 -0.39 0 CA-C-O 120.904 0.383 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.419 ' O ' HG12 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -114.5 -69.59 0.85 Allowed 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 169.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.64 HG23 HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER 70.46 159.07 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 O-C-N 123.986 0.804 . . . . 0.0 111.659 172.493 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 58.9 ttp -127.18 102.46 6.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.104 0.478 . . . . 0.0 110.339 177.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.766 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . . . -72.71 135.02 45.29 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 174.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -127.67 155.55 43.76 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 120.863 0.363 . . . . 0.0 111.252 -173.578 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.861 ' HE3' ' HA ' ' A' ' 46' ' ' ASP . 27.6 ttpp -60.52 -44.22 96.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.199 -175.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -76.76 29.55 0.13 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.963 0.411 . . . . 0.0 111.858 -173.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.5 68.59 1.59 Allowed Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 116.236 -0.438 . . . . 0.0 113.07 173.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.18 142.8 7.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.049 0.452 . . . . 0.0 110.802 176.651 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -111.65 87.82 2.65 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 170.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.5 mt -73.88 123.61 29.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.085 -171.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.64 HD13 HG23 ' A' ' 6' ' ' VAL . 4.1 mm? -68.47 109.72 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 174.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.8 p -131.25 157.04 44.31 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.31 -170.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 1.042 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 20.9 t70 -68.41 109.67 3.78 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 164.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.32 95.36 0.51 Allowed Glycine 0 N--CA 1.467 0.713 0 C-N-CA 121.027 -0.606 . . . . 0.0 113.2 -163.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' N ' ' HD3' ' A' ' 21' ' ' PRO . 7.5 mttp 157.86 65.62 0.0 OUTLIER Pre-proline 0 C--O 1.233 0.185 0 O-C-N 124.252 0.619 . . . . 0.0 112.154 -160.112 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 20' ' ' LYS . 6.4 Cg_endo -86.92 154.92 8.56 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.668 2.245 . . . . 0.0 111.549 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.08 110.93 18.23 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.071 0.462 . . . . 0.0 110.364 178.012 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.535 HG12 HG22 ' A' ' 30' ' ' VAL . 46.1 mt -88.41 100.61 10.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.132 177.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -70.12 125.16 25.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.004 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -73.69 -28.95 62.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.58 -169.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -72.42 -55.05 7.68 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.484 -175.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.6 t -84.94 -23.32 28.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.58 0.228 . . . . 0.0 111.377 -178.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.19 40.97 27.81 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.723 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 23' ' ' ILE . 79.1 mt -115.44 152.39 32.99 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.672 0.272 . . . . 0.0 110.459 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.535 HG22 HG12 ' A' ' 23' ' ' ILE . 47.8 t -106.23 102.06 13.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.052 178.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.613 ' HA ' ' O ' ' A' ' 40' ' ' MET . 15.9 m -87.23 106.84 18.18 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.631 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.441 ' CE1' ' HB2' ' A' ' 40' ' ' MET . 32.6 p90 -109.51 167.72 9.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.799 0.333 . . . . 0.0 110.702 -179.333 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 1.042 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 27.4 m170 -105.82 134.84 48.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.24 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.539 ' HB2' ' H ' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -64.28 158.67 22.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.377 178.15 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -62.94 -28.54 70.14 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 169.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -76.34 -23.28 54.2 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.86 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.62 21.72 7.4 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.897 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.539 ' H ' ' HB2' ' A' ' 34' ' ' ASP . 14.8 m120 -96.76 -172.61 2.52 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.267 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -140.14 128.7 22.9 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.485 -0.191 . . . . 0.0 110.485 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.613 ' O ' ' HA ' ' A' ' 31' ' ' SER . 39.9 mtt -122.24 159.58 27.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.373 178.102 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.416 ' HG2' ' OG ' ' A' ' 31' ' ' SER . 49.0 mt-30 -116.51 108.19 15.69 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 176.198 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.598 HD11 ' HB ' ' A' ' 47' ' ' VAL . 6.9 pt -101.15 -179.96 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.847 0.356 . . . . 0.0 110.499 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -78.75 141.33 37.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.514 ' O ' HG12 ' A' ' 47' ' ' VAL . 35.3 ttp180 -58.91 -40.95 86.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.064 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.92 -19.25 60.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.642 -177.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.861 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 37.2 t70 -84.77 -32.79 23.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.443 -174.001 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.598 ' HB ' HD11 ' A' ' 42' ' ' ILE . 11.1 p -65.48 143.15 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 176.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.1 t -118.97 -68.52 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.581 -174.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.766 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 53.8 mt-30 -130.02 149.24 51.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 111.333 -176.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.0 mm -105.4 -16.25 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 172.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.8 mt 57.65 48.91 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 114.561 -1.199 . . . . 0.0 110.622 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -71.03 108.46 4.6 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.49 175.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.436 ' H ' ' HG3' ' A' ' 53' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 121.21 0.529 . . . . 0.0 111.667 -177.263 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 121.797 0.808 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.553 ' CD1' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -129.15 -172.03 2.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.666 -176.772 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.553 HG23 ' CD1' ' A' ' 5' ' ' TYR . 83.4 t 73.14 120.17 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 O-C-N 123.837 0.711 . . . . 0.0 111.28 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.3 ttp -122.16 109.88 15.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.444 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 48' ' ' SER . . . -87.03 125.48 34.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.945 176.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 p -119.25 -177.49 3.36 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -173.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -28.12 -59.81 0.11 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.148 1.379 . . . . 0.0 114.336 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.571 ' HB2' ' HD2' ' A' ' 13' ' ' ARG . 31.1 m-20 -76.24 5.84 6.35 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -170.203 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.29 29.4 70.27 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -175.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.571 ' HD2' ' HB2' ' A' ' 11' ' ' ASP . 10.8 ptm180 -96.34 129.72 43.61 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -177.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 86.4 mmm -87.31 95.7 10.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.831 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.0 mt -79.91 111.33 16.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.918 0.39 . . . . 0.0 110.105 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.8 mt -77.6 94.76 4.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.471 0.653 . . . . 0.0 110.508 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.4 p -97.29 160.25 14.44 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.602 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -60.81 -40.7 93.71 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 169.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.81 170.88 12.65 Favored Glycine 0 CA--C 1.501 -0.793 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.488 166.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.5 mttt 67.78 75.1 0.3 Allowed Pre-proline 0 C--O 1.235 0.34 0 C-N-CA 118.594 -1.242 . . . . 0.0 113.164 162.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.41 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 89.1 Cg_endo -82.98 145.93 12.65 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.542 2.161 . . . . 0.0 112.373 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.487 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 26.5 tt0 -99.86 111.37 23.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.444 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mt -82.46 102.75 8.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -70.12 143.58 52.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.805 -175.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -90.06 -23.53 21.41 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.236 -178.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -70.55 -64.16 0.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.079 -177.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.683 HG23 ' HG ' ' A' ' 29' ' ' LEU . 5.9 t -108.51 -3.98 17.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.945 0.402 . . . . 0.0 111.31 -176.059 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.57 28.94 62.4 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.171 174.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.683 ' HG ' HG23 ' A' ' 27' ' ' THR . 55.3 mt -99.38 141.67 31.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.795 0.331 . . . . 0.0 110.215 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 47.9 t -93.01 100.41 11.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.495 -178.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.49 ' HA ' ' HG3' ' A' ' 41' ' ' GLN . 3.5 m -75.53 115.14 14.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.369 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.572 ' CE1' HG23 ' A' ' 42' ' ' ILE . 42.0 p90 -121.43 173.39 7.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.014 0.435 . . . . 0.0 110.876 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -127.11 111.76 14.39 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.814 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.753 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 45.7 m-20 -62.34 152.27 34.38 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 173.144 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -62.63 -18.74 62.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.282 0.563 . . . . 0.0 110.129 173.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -84.97 0.88 49.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.956 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.85 11.93 58.45 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.891 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.753 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 90.6 m-20 -81.84 113.23 19.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.763 0.316 . . . . 0.0 111.191 -177.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -96.47 107.13 19.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.103 175.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.6 ptt? -156.29 179.7 8.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.464 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.49 ' HG3' ' HA ' ' A' ' 31' ' ' SER . 15.6 mp0 -126.36 159.44 33.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.851 0.358 . . . . 0.0 111.792 -170.384 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.611 HD11 HG22 ' A' ' 47' ' ' VAL . 7.3 pt -121.36 -179.87 2.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 165.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.522 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 61.3 t30 -88.58 143.19 27.11 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 110.53 -0.174 . . . . 0.0 110.53 178.243 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -66.98 -17.89 65.13 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.07 0.462 . . . . 0.0 111.182 -178.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.483 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 31.5 t70 -82.24 -17.86 44.53 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.086 0.47 . . . . 0.0 110.412 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.522 ' OD1' ' HB3' ' A' ' 43' ' ' ASN . 6.1 m-20 -99.79 9.92 42.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.44 -175.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.611 HG22 HD11 ' A' ' 42' ' ' ILE . 13.1 t -85.94 128.22 39.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.065 178.244 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 8' ' ' ALA . 41.2 t -91.11 -68.88 0.76 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 178.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -179.49 147.85 0.32 Allowed 'General case' 0 C--O 1.232 0.142 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.7 mm -82.01 117.26 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 174.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.2 tt -110.59 122.33 64.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.354 0.597 . . . . 0.0 110.95 -175.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -87.0 49.62 1.86 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.454 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.111 179.283 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.8 t70 . . . . . 0 N--CA 1.467 0.391 0 CA-C-O 121.541 0.686 . . . . 0.0 110.736 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.489 ' O ' HG12 ' A' ' 6' ' ' VAL . 78.1 t80 -160.5 112.22 1.93 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.612 -179.211 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 5' ' ' TYR . 0.3 OUTLIER 65.43 154.82 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.769 0.828 . . . . 0.0 111.52 -177.119 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.9 ttp -132.75 131.3 41.03 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.048 -0.408 . . . . 0.0 111.135 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.13 119.95 41.07 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.959 176.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 46' ' ' ASP . 34.8 p -94.34 -179.66 4.99 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.764 -176.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -48.65 -48.76 39.44 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.827 0.851 . . . . 0.0 112.443 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -66.93 -21.61 65.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.746 -173.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.22 8.38 44.4 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.971 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -84.65 141.86 30.32 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 86.1 mtp -102.62 112.82 25.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.983 0.421 . . . . 0.0 110.236 -177.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.0 mt -89.28 131.85 35.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.067 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.95 83.99 6.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.56 0.695 . . . . 0.0 110.48 -176.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.577 HG22 ' CD2' ' A' ' 32' ' ' TYR . 29.6 p -81.63 156.2 25.25 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.611 -177.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.48 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 11.4 t70 -78.35 -24.48 46.44 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 165.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.66 -165.87 22.04 Favored Glycine 0 CA--C 1.499 -0.953 0 CA-C-N 113.385 -1.734 . . . . 0.0 109.016 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 20' ' ' LYS . 3.3 mptp? 69.46 73.49 0.3 Allowed Pre-proline 0 CA--C 1.531 0.226 0 CA-C-N 118.448 1.124 . . . . 0.0 112.896 162.303 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -87.47 93.63 0.47 Allowed 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.338 2.025 . . . . 0.0 111.859 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.474 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 29.3 tt0 -81.57 95.59 7.19 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.056 -178.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.465 HG12 HG22 ' A' ' 30' ' ' VAL . 28.5 mt -69.81 103.26 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -70.0 123.14 20.78 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.368 -175.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -76.98 -23.83 52.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.069 -173.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -79.4 -56.8 4.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.084 -178.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.2 p -83.31 -30.03 27.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 -176.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.488 ' O ' ' HB2' ' A' ' 44' ' ' ARG . . . 90.11 5.19 70.74 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.787 -177.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.611 ' HG ' ' HA ' ' A' ' 43' ' ' ASN . 10.8 mp -100.73 152.52 20.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.884 0.373 . . . . 0.0 111.024 -178.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 96.2 t -91.52 111.17 23.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.659 -178.094 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.474 ' HB2' ' HB3' ' A' ' 22' ' ' GLU . 4.8 m -84.7 106.97 16.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.799 177.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.577 ' CD2' HG22 ' A' ' 17' ' ' THR . 23.1 p90 -118.54 166.06 13.17 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.68 -175.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.48 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 29.6 m170 -107.78 133.67 51.84 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.79 175.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.532 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 5.1 m-20 -80.82 145.33 31.47 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 169.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -75.06 -8.75 57.42 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 172.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.488 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 48.3 tt0 -68.32 -26.3 65.55 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.361 170.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.08 21.85 5.47 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.003 -0.617 . . . . 0.0 112.697 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.532 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 88.5 m-20 -110.03 163.2 13.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.961 0.41 . . . . 0.0 111.265 -177.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -140.38 119.97 13.25 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 173.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.2 ptp -153.65 169.2 23.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.65 0.262 . . . . 0.0 110.62 -175.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.534 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . 71.2 mt-30 -112.99 126.97 56.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.047 -176.362 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.689 HD11 ' HB ' ' A' ' 47' ' ' VAL . 3.5 pt -102.85 166.36 2.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 172.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.611 ' HA ' ' HG ' ' A' ' 29' ' ' LEU . 62.0 t30 -76.58 152.88 35.78 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 120.822 0.344 . . . . 0.0 111.666 -174.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 9.0 tpt180 -60.9 -36.14 78.47 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 121.26 0.552 . . . . 0.0 110.133 177.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -80.2 -9.73 59.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.446 ' O ' ' HB ' ' A' ' 9' ' ' THR . 33.6 t70 -90.06 -36.15 15.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.632 -176.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.689 ' HB ' HD11 ' A' ' 42' ' ' ILE . 13.2 p -72.64 144.26 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.83 -0.434 . . . . 0.0 109.83 176.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.1 t -130.8 -65.49 0.79 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.408 -176.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -135.45 141.64 45.42 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -171.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 50.7 mm -109.59 142.27 22.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 169.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.8 tt -78.27 111.88 15.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.418 0.628 . . . . 0.0 111.179 -176.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -92.12 -177.6 4.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.048 175.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 . . . . . 0 C--N 1.325 -0.459 0 CA-C-O 120.936 0.398 . . . . 0.0 111.224 -177.662 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.5 t70 . . . . . 0 CA--C 1.518 -0.27 0 CA-C-O 121.175 0.512 . . . . 0.0 110.104 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -126.13 162.34 25.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.948 173.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 p -169.14 162.51 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 -176.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 59.9 ttp -144.96 116.2 7.96 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.06 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.702 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . . . -91.02 122.05 33.35 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.509 ' HB ' ' O ' ' A' ' 46' ' ' ASP . 62.2 p -92.25 -177.63 4.71 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.932 0.396 . . . . 0.0 111.837 -176.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.448 ' HB3' ' NZ ' ' A' ' 10' ' ' LYS . 6.1 ttpm? -41.6 -46.39 3.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.832 -1.076 . . . . 0.0 112.276 -178.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.47 4.1 22.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.846 -170.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.75 2.75 90.64 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.448 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -83.59 136.87 34.08 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 67.0 mtt -92.06 118.94 31.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.489 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.4 mm -84.93 129.62 37.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.43 65.46 5.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.382 0.61 . . . . 0.0 110.634 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.498 ' HA ' ' O ' ' A' ' 33' ' ' HIS . 35.1 p -73.62 134.77 43.74 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.75 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -56.99 -38.26 72.79 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 172.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.96 175.45 23.66 Favored Glycine 0 CA--C 1.499 -0.926 0 CA-C-O 118.958 -0.912 . . . . 0.0 111.532 164.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HE2' ' HB3' ' A' ' 20' ' ' LYS . 31.0 mtpt 71.94 71.52 0.28 Allowed Pre-proline 0 N--CA 1.454 -0.27 0 C-N-CA 118.697 -1.201 . . . . 0.0 113.249 164.15 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -82.16 105.52 1.48 Allowed 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 122.364 2.043 . . . . 0.0 111.389 176.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -82.93 108.87 16.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.573 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.55 HG12 HG22 ' A' ' 30' ' ' VAL . 52.3 mt -78.89 116.88 23.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.704 -178.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -71.01 94.92 1.13 Allowed 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 174.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -66.44 -19.28 65.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.313 -172.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.22 -48.04 83.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.468 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.716 HG23 ' HG ' ' A' ' 29' ' ' LEU . 9.1 t -116.14 -26.27 7.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.737 -175.144 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.24 34.21 4.6 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.5 -177.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.716 ' HG ' HG23 ' A' ' 27' ' ' THR . 63.0 mt -101.01 161.19 13.77 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 175.325 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.55 HG22 HG12 ' A' ' 23' ' ' ILE . 60.1 t -121.5 110.35 27.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.021 0.438 . . . . 0.0 110.61 178.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' A' ' 40' ' ' MET . 66.9 m -78.04 101.89 7.16 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.2 177.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -116.69 153.89 31.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 -176.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.571 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 32.5 m170 -109.05 123.15 48.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.683 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.66 163.95 13.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.701 174.206 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -74.46 58.79 0.78 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.904 0.859 . . . . 0.0 110.99 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.53 ' HB3' ' HB2' ' A' ' 38' ' ' ASN . 22.0 tp60 -150.15 7.39 0.61 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.749 -1.114 . . . . 0.0 108.823 176.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.66 43.8 91.14 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 109.028 -1.629 . . . . 0.0 109.028 -167.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.571 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 9.4 t-20 -111.63 114.3 27.25 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.804 -0.698 . . . . 0.0 110.64 -167.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.94 107.73 18.66 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.485 ' O ' ' HA ' ' A' ' 31' ' ' SER . 68.1 mtm -127.02 161.79 27.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.617 -177.358 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -120.1 111.71 18.2 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.432 HG23 ' HB ' ' A' ' 30' ' ' VAL . 7.9 tp -105.64 141.1 21.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.577 -177.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -62.54 146.21 52.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.044 0.45 . . . . 0.0 111.618 -176.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -59.47 -25.81 64.71 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.09 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -83.77 -9.27 58.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.886 0.375 . . . . 0.0 111.029 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.509 ' O ' ' HB ' ' A' ' 9' ' ' THR . 11.5 m-20 -97.79 -22.79 16.2 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.863 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.2 m -85.11 163.14 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 171.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.6 t -151.45 -78.94 0.12 Allowed 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.226 -0.59 . . . . 0.0 112.056 -176.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.702 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 10.2 mm100 -103.23 116.8 33.16 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.029 0.442 . . . . 0.0 112.165 -167.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.9 mt -141.01 17.2 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.47 176.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.498 HG22 ' H ' ' A' ' 53' ' ' ARG . 4.9 mp -125.25 -66.98 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.521 -174.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.578 ' OE1' ' HB3' ' A' ' 49' ' ' GLN . 0.0 OUTLIER 56.39 34.49 24.28 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.828 176.665 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.498 ' H ' HG22 ' A' ' 51' ' ' ILE . 25.5 ttm180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 114.57 -1.195 . . . . 0.0 111.789 174.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.232 0.17 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.595 ' HB2' ' O ' ' A' ' 17' ' ' THR . 19.8 p90 -81.6 69.93 8.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.763 0.792 . . . . 0.0 111.994 -174.674 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -163.3 128.38 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.88 176.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.3 ttp -130.8 127.97 39.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.326 -174.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.465 ' HB2' ' SD ' ' A' ' 14' ' ' MET . . . -98.08 127.82 44.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.982 176.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.9 p -113.09 -176.69 2.95 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.85 -176.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.541 ' HB3' ' NZ ' ' A' ' 10' ' ' LYS . 5.6 ttpm? -29.14 -55.02 0.13 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.85 1.26 . . . . 0.0 112.994 174.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.422 ' HB2' ' HG2' ' A' ' 13' ' ' ARG . 2.1 m-20 -68.9 -7.79 38.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.389 -171.05 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.16 16.25 80.69 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -174.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.425 ' O ' ' HA ' ' A' ' 8' ' ' ALA . 9.0 ptp180 -88.26 142.8 27.45 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.465 ' SD ' ' HB2' ' A' ' 8' ' ' ALA . 26.4 mmt -97.4 103.27 15.19 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.493 178.085 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mt -83.67 111.96 20.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.82 77.69 1.6 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.95 177.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.595 ' O ' ' HB2' ' A' ' 5' ' ' TYR . 71.8 p -69.31 155.85 39.75 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.644 -178.131 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.52 -35.08 79.37 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 171.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.89 169.53 15.12 Favored Glycine 0 CA--C 1.505 -0.583 0 CA-C-N 114.432 -1.258 . . . . 0.0 110.621 168.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.5 mttt 73.76 90.39 0.07 OUTLIER Pre-proline 0 C--N 1.347 0.48 0 CA-C-N 118.573 1.187 . . . . 0.0 114.005 163.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -90.34 108.61 0.36 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.751 2.301 . . . . 0.0 111.852 173.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -91.7 104.22 16.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.0 mt -75.89 113.45 14.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.752 -177.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -82.01 106.72 14.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.693 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -66.18 -22.68 66.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.262 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.36 -68.37 0.28 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.415 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.465 HG23 ' HG ' ' A' ' 29' ' ' LEU . 3.7 t -96.39 -9.48 29.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.983 -172.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.18 37.53 32.03 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.033 -1.08 . . . . 0.0 110.955 -177.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.465 ' HG ' HG23 ' A' ' 27' ' ' THR . 41.9 mt -121.9 177.45 5.29 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.601 HG23 ' HA ' ' A' ' 44' ' ' ARG . 70.3 t -128.62 114.98 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.551 0.215 . . . . 0.0 110.772 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.9 m -80.32 99.87 8.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.197 175.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.501 ' HD2' HG22 ' A' ' 17' ' ' THR . 8.6 p90 -101.81 177.17 4.98 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.607 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 68.7 m80 -117.95 122.5 43.43 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 178.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.636 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -54.85 175.49 0.06 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 177.442 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -62.42 -30.62 71.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.515 -1.221 . . . . 0.0 108.681 169.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.538 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 59.5 mm-40 -84.13 -13.72 52.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.87 178.291 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.37 0.53 47.11 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.882 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.636 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 84.1 m-20 -56.86 129.59 42.1 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 122.393 0.277 . . . . 0.0 111.635 -178.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.48 100.96 11.08 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 171.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 37.5 mtp -128.5 146.65 50.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.267 -173.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.485 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 74.3 mt-30 -101.81 124.09 46.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.225 -175.216 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.608 HD11 HG22 ' A' ' 47' ' ' VAL . 13.2 pt -107.39 178.33 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 171.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.984 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 10.1 t-20 -75.64 128.31 34.96 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 110.197 -0.298 . . . . 0.0 110.197 -178.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.601 ' HA ' HG23 ' A' ' 30' ' ' VAL . 49.8 ttp180 -54.18 -43.52 70.77 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.206 0.527 . . . . 0.0 111.402 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -86.41 7.63 24.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.925 -176.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.984 ' HB2' ' HB3' ' A' ' 43' ' ' ASN . 8.0 t70 -95.39 -19.72 19.69 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.608 HG22 HD11 ' A' ' 42' ' ' ILE . 3.8 t -68.31 107.54 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.453 177.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.7 t -86.21 -48.81 8.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.529 -172.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -164.12 137.94 5.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 110.882 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.63 105.37 18.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 170.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.9 pt -74.39 110.55 8.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.33 0.586 . . . . 0.0 110.12 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -123.2 131.68 53.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.477 -174.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.0 ttp85 . . . . . 0 CA--C 1.54 0.578 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.262 174.044 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.7 t70 . . . . . 0 N--CA 1.462 0.143 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.59 ' HB2' ' O ' ' A' ' 17' ' ' THR . 73.4 m-85 -101.6 131.51 47.76 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.264 0.554 . . . . 0.0 111.145 -177.465 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -140.05 131.27 31.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.475 178.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.488 ' SD ' HG23 ' A' ' 47' ' ' VAL . 16.3 tmm? -96.93 117.16 30.51 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' ' 48' ' ' SER . . . -91.9 126.79 37.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.006 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.0 p -95.49 165.41 12.36 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.061 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.406 ' HE2' ' O ' ' A' ' 45' ' ' ASP . 37.3 ttpt -78.47 -18.39 54.92 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 172.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -63.13 -42.69 99.54 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.354 174.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.33 -23.5 5.75 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.733 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -70.22 143.45 52.18 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.098 0.475 . . . . 0.0 111.277 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.5 mmt -110.26 119.47 39.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.727 178.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.448 HG21 ' CE2' ' A' ' 32' ' ' TYR . 72.8 mt -108.99 126.21 66.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.887 -178.142 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.28 137.09 52.75 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.652 ' HB ' ' H ' ' A' ' 19' ' ' GLY . 13.3 p -141.18 169.39 17.7 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.373 -176.265 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -90.26 -4.9 56.89 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 164.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.652 ' H ' ' HB ' ' A' ' 17' ' ' THR . . . 108.38 -169.85 14.54 Favored Glycine 0 CA--C 1.501 -0.785 0 CA-C-N 113.829 -1.532 . . . . 0.0 110.915 172.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.0 mttt 71.15 72.3 0.28 Allowed Pre-proline 0 C--O 1.234 0.25 0 C-N-CA 119.093 -1.043 . . . . 0.0 113.162 162.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -77.86 105.2 1.98 Allowed 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.664 2.243 . . . . 0.0 111.514 175.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.551 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 34.1 tt0 -81.63 105.32 12.69 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.6 mt -79.41 107.66 12.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.043 0.449 . . . . 0.0 110.68 -176.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -79.91 134.53 36.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.388 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -108.0 9.5 28.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.382 0.611 . . . . 0.0 110.869 -178.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -87.77 -44.6 11.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.011 178.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.554 HG23 ' HG ' ' A' ' 29' ' ' LEU . 5.3 t -112.83 -19.08 12.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.437 173.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.3 35.32 12.34 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.055 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.554 ' HG ' HG23 ' A' ' 27' ' ' THR . 43.7 mt -113.0 155.8 24.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.971 0.415 . . . . 0.0 110.218 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.84 112.55 36.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.646 -177.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.551 ' HB2' ' HB3' ' A' ' 22' ' ' GLU . 15.5 m -83.02 111.68 19.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.093 0.473 . . . . 0.0 110.742 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.652 ' CE1' HG23 ' A' ' 42' ' ' ILE . 3.2 p90 -111.09 149.1 31.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.777 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -102.82 123.7 46.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.809 -175.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.718 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -61.36 160.45 10.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.289 -179.02 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -74.27 -14.89 60.98 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 168.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.567 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 82.8 mt-30 -85.22 -6.09 59.29 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.461 176.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.28 35.08 12.67 Favored Glycine 0 C--O 1.229 -0.204 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.01 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.718 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 84.9 m-20 -107.95 161.84 14.57 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -121.73 107.49 12.41 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.938 0.399 . . . . 0.0 110.01 174.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.432 ' O ' ' HA ' ' A' ' 31' ' ' SER . 76.3 mtm -121.82 170.97 9.24 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.892 -178.421 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -131.93 129.46 40.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.692 0.282 . . . . 0.0 111.359 -175.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.893 HD11 ' HB ' ' A' ' 47' ' ' VAL . 10.8 pt -108.4 -177.89 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.419 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 55.1 t30 -84.42 148.95 26.31 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.731 0.301 . . . . 0.0 110.875 -179.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.547 ' O ' HG12 ' A' ' 47' ' ' VAL . 27.3 ttp85 -62.91 -42.13 99.68 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -175.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.406 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 3.9 p-10 -89.45 3.93 50.75 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.761 -178.347 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.419 ' HB2' ' HB3' ' A' ' 43' ' ' ASN . 38.8 t70 -88.28 -34.79 17.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.16 0.505 . . . . 0.0 109.696 176.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.893 ' HB ' HD11 ' A' ' 42' ' ' ILE . 11.5 p -72.4 147.29 10.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.285 178.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' ' 8' ' ' ALA . 30.3 t -117.57 -76.73 0.57 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 177.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -146.23 152.87 39.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.666 0.27 . . . . 0.0 110.64 -177.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.564 ' O ' HG22 ' A' ' 51' ' ' ILE . 4.2 mp -81.18 104.15 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 174.14 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.564 HG22 ' O ' ' A' ' 50' ' ' ILE . 3.0 tt 61.63 162.31 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 O-C-N 124.264 0.977 . . . . 0.0 110.771 -170.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -75.51 108.23 8.19 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.952 -0.468 . . . . 0.0 111.771 -174.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 . . . . . 0 N--CA 1.47 0.534 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.986 173.821 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.4 t70 . . . . . 0 CA--C 1.518 -0.255 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.552 ' CD1' ' HA3' ' A' ' 19' ' ' GLY . 80.6 m-85 -124.55 156.44 37.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.829 0.347 . . . . 0.0 110.914 -178.085 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.7 p -161.33 147.01 4.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.828 178.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -136.78 116.59 13.11 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.739 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . . . -104.49 124.17 48.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.083 179.14 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.5 p -82.75 172.31 13.02 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.417 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -75.03 -0.07 17.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.361 0.601 . . . . 0.0 110.495 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -73.85 -36.91 64.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.708 173.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.72 -3.64 21.31 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.774 -175.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -86.27 137.8 32.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.944 0.402 . . . . 0.0 110.287 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 50.9 ttm -102.65 105.81 16.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.138 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.7 mt -97.41 137.24 25.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.936 -175.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -85.39 118.81 25.15 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 175.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.414 HG22 ' HD2' ' A' ' 32' ' ' TYR . 13.9 p -121.46 143.77 49.06 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.115 -172.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.939 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 25.2 t70 -64.19 111.04 2.4 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 161.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.614 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -62.58 156.13 39.76 Favored Glycine 0 CA--C 1.496 -1.125 0 CA-C-O 118.517 -1.157 . . . . 0.0 112.325 -163.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.614 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 58.9 mttp 82.61 70.3 0.11 Allowed Pre-proline 0 C--N 1.351 0.662 0 C-N-CA 119.078 -1.049 . . . . 0.0 110.804 178.022 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -88.38 162.14 6.81 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.795 2.33 . . . . 0.0 112.778 -176.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.548 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 13.3 mm-40 -100.35 97.22 8.0 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.627 -178.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.61 HG12 HG13 ' A' ' 30' ' ' VAL . 5.9 mt -85.41 97.92 6.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.497 -0.481 . . . . 0.0 109.751 174.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.585 ' OD1' HG22 ' A' ' 27' ' ' THR . 15.7 t70 -83.86 98.62 9.85 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 174.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -75.44 -10.96 59.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.244 0.545 . . . . 0.0 109.903 -174.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.473 ' HB3' ' OD1' ' A' ' 24' ' ' ASP . 15.9 t70 -67.21 -51.62 51.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.406 178.307 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.585 HG22 ' OD1' ' A' ' 24' ' ' ASP . 8.8 t -87.94 -23.22 23.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.935 0.398 . . . . 0.0 110.272 174.127 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.3 24.07 38.19 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 121.026 -0.606 . . . . 0.0 111.952 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.403 ' H ' HG23 ' A' ' 27' ' ' THR . 26.3 mt -116.61 142.98 46.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.952 0.406 . . . . 0.0 110.344 -177.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.61 HG13 HG12 ' A' ' 23' ' ' ILE . 61.9 t -108.88 107.21 22.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.776 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.548 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . 15.1 m -82.01 119.66 24.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.11 179.139 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.559 ' CE1' HG23 ' A' ' 42' ' ' ILE . 6.6 p90 -129.43 154.36 47.03 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.981 -178.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.939 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 73.5 m80 -104.74 136.92 43.36 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.904 0.383 . . . . 0.0 110.497 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.724 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.9 OUTLIER -68.18 165.56 18.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.61 176.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.534 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 5.9 tp60 -74.51 -14.34 60.8 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 172.134 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.518 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 6.4 tp-100 -83.85 -20.03 33.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.304 176.163 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.86 8.44 27.95 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.66 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.724 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 87.4 m-20 -75.06 152.48 38.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.702 0.287 . . . . 0.0 110.766 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.8 101.18 8.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.976 0.417 . . . . 0.0 110.036 176.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 70.6 mtm -123.29 174.27 7.41 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.586 -175.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 45.9 mt-30 -138.54 129.32 26.54 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.674 -176.223 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.608 HD11 HG22 ' A' ' 47' ' ' VAL . 13.0 pt -109.33 -178.24 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 172.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.588 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 49.9 t30 -91.05 149.25 21.9 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.847 0.356 . . . . 0.0 110.806 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 -53.2 -51.7 61.24 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 123.803 0.841 . . . . 0.0 113.203 -175.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -84.55 5.54 27.28 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -173.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.588 ' OD1' ' HB3' ' A' ' 43' ' ' ASN . 3.3 m-20 -87.58 -18.82 28.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.083 0.468 . . . . 0.0 110.11 174.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.608 HG22 HD11 ' A' ' 42' ' ' ILE . 3.4 t -72.09 146.35 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.662 178.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.2 t -146.44 -75.15 0.21 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.377 -0.529 . . . . 0.0 112.216 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.739 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 47.5 mt-30 -102.63 108.14 19.3 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 -168.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.9 pt -142.51 -175.91 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.595 174.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.2 tt -86.43 0.72 6.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 CA-C-O 121.218 0.532 . . . . 0.0 110.518 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 66.92 -165.22 0.22 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.945 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 53' ' ' ARG . 12.8 ptt180 . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 121.361 0.6 . . . . 0.0 111.481 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 N--CA 1.466 0.346 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.759 ' HD2' ' HA3' ' A' ' 19' ' ' GLY . 0.5 OUTLIER -69.41 -40.5 77.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 170.713 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.8 t 71.25 115.17 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.841 175.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 59.8 ttp -99.21 106.85 19.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.471 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.77 110.91 22.52 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.472 175.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.9 p -88.06 164.9 15.52 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 121.251 0.548 . . . . 0.0 111.105 -177.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.657 ' HB2' ' HB2' ' A' ' 48' ' ' SER . 30.5 ttpt -82.89 -0.47 48.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.864 -174.306 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.54 ' OD1' ' HG2' ' A' ' 13' ' ' ARG . 1.8 p30 -88.07 -16.74 32.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.982 0.42 . . . . 0.0 110.028 175.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.62 -27.55 6.83 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.665 -0.779 . . . . 0.0 113.257 176.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.54 ' HG2' ' OD1' ' A' ' 11' ' ' ASP . 11.7 ptm180 -74.54 149.02 40.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.17 0.51 . . . . 0.0 111.067 -178.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 50.8 ttm -121.97 114.33 20.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.766 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.9 mt -102.25 134.83 41.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.949 -174.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -77.87 86.53 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.153 0.501 . . . . 0.0 110.735 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.9 p -101.99 126.56 48.94 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.262 174.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.53 -30.28 71.18 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.761 176.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.759 ' HA3' ' HD2' ' A' ' 5' ' ' TYR . . . 154.07 -179.74 30.05 Favored Glycine 0 CA--C 1.501 -0.811 0 C-N-CA 120.34 -0.933 . . . . 0.0 112.303 163.451 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 79.2 mttt 73.19 73.2 0.23 Allowed Pre-proline 0 N--CA 1.45 -0.433 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 165.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -94.43 116.59 0.24 Allowed 'Trans proline' 0 N--CA 1.443 -1.494 0 C-N-CA 123.508 2.806 . . . . 0.0 110.934 172.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.68 102.44 9.88 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -178.491 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.4 mt -70.77 107.22 2.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.029 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -73.17 128.56 35.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.059 -177.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.649 ' HA ' ' NH2' ' A' ' 44' ' ' ARG . 4.6 p30 -102.49 8.54 39.95 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -177.056 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -104.99 -47.35 4.03 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-O 122.415 1.102 . . . . 0.0 108.802 175.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.19 -12.28 24.88 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 113.128 -1.851 . . . . 0.0 112.218 -165.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.17 20.96 78.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.419 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.3 mt -117.6 176.97 4.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.646 -0.277 . . . . 0.0 110.633 -176.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.585 HG21 HG21 ' A' ' 47' ' ' VAL . 39.3 t -135.03 115.92 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.403 178.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 40' ' ' MET . 5.9 m -79.92 101.57 8.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.965 -178.353 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.476 ' HD1' ' H ' ' A' ' 32' ' ' TYR . 1.1 p90 -105.77 169.09 8.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.948 0.404 . . . . 0.0 110.215 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -115.55 117.21 29.69 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.015 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.588 ' HB3' ' H ' ' A' ' 36' ' ' GLN . 54.6 m-20 -62.65 158.49 18.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.938 177.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -76.41 -8.52 57.31 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 168.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.588 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 26.2 tp60 -85.91 -10.96 54.37 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.354 177.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.16 30.75 9.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 113.33 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.534 ' H ' ' HB2' ' A' ' 34' ' ' ASP . 55.4 m-80 -118.5 146.17 44.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 117.088 0.444 . . . . 0.0 110.757 176.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.25 102.79 12.18 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.468 ' O ' ' HA ' ' A' ' 31' ' ' SER . 62.5 mtm -124.46 169.91 11.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.264 -175.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.498 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 35.8 mt-30 -122.8 115.74 22.53 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.397 -175.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.53 HD11 HG22 ' A' ' 47' ' ' VAL . 8.3 pt -94.59 177.23 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 175.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.629 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 11.7 t30 -76.33 134.73 39.63 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.675 0.274 . . . . 0.0 110.285 -178.522 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.649 ' NH2' ' HA ' ' A' ' 25' ' ' ASP . 29.7 ttm180 -57.7 -36.67 72.29 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -174.016 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -70.53 -7.1 41.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.817 -172.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.629 ' OD1' ' HB3' ' A' ' 43' ' ' ASN . 9.3 m-20 -90.84 -33.53 15.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.606 0.241 . . . . 0.0 111.184 -178.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.585 HG21 HG21 ' A' ' 30' ' ' VAL . 15.8 t -66.43 121.56 15.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.159 -176.234 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.657 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . 33.0 t -125.01 -70.13 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.776 -174.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -120.23 116.14 25.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.794 0.331 . . . . 0.0 111.495 -173.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.3 mm -98.76 -69.31 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.429 178.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.2 mt -95.68 -27.76 4.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.233 0.54 . . . . 0.0 110.096 -179.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.437 ' H ' ' HG2' ' A' ' 52' ' ' GLU . 6.5 pt-20 -68.44 96.9 0.71 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.364 -178.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 53' ' ' ARG . 28.9 mmt180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.553 176.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 . . . . . 0 N--CA 1.466 0.372 0 CA-C-O 120.931 0.396 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -160.58 105.99 1.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.404 -174.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 p -149.08 145.98 17.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.697 -177.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.1 ttp -130.89 104.74 7.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.974 0.416 . . . . 0.0 109.948 -178.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.831 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . . . -87.56 141.02 28.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.234 -179.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.589 HG22 ' HA ' ' A' ' 47' ' ' VAL . 20.6 p -104.38 169.57 8.4 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.405 -176.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.55 ' HB2' ' HB2' ' A' ' 48' ' ' SER . 32.3 ttpt -80.92 -7.88 59.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.363 0.601 . . . . 0.0 110.142 -177.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -101.02 7.52 43.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.628 175.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.84 26.1 54.4 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.799 -0.637 . . . . 0.0 113.536 174.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -98.52 130.31 45.1 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 176.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -96.42 94.83 7.64 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.767 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.8 mt -92.83 134.32 31.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.58 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -89.72 142.06 28.04 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' A' ' 33' ' ' HIS . 17.6 p -135.82 176.01 9.07 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.884 -177.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -102.28 18.2 21.54 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 106.865 -1.532 . . . . 0.0 106.865 165.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.99 -159.48 37.71 Favored Glycine 0 CA--C 1.503 -0.706 0 CA-C-N 112.811 -1.995 . . . . 0.0 109.85 -173.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.0 mttm 65.74 51.0 0.79 Allowed Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 155.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.491 ' HG3' HD13 ' A' ' 50' ' ' ILE . 89.3 Cg_endo -81.05 140.4 12.49 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.845 1.696 . . . . 0.0 112.349 -178.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -106.05 112.32 25.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.21 177.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.581 HG12 HG22 ' A' ' 30' ' ' VAL . 52.9 mt -91.71 109.73 21.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 CA-C-O 121.255 0.55 . . . . 0.0 109.947 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -74.81 95.12 2.86 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.281 178.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -78.89 -1.94 37.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.445 -170.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -71.63 -32.1 67.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.002 0.43 . . . . 0.0 110.394 174.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.614 HG23 ' HG ' ' A' ' 29' ' ' LEU . 2.8 t -127.49 -32.03 2.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.544 -176.013 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . 104.5 36.2 3.12 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.415 -0.898 . . . . 0.0 111.739 -175.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.614 ' HG ' HG23 ' A' ' 27' ' ' THR . 80.3 mt -104.8 167.73 9.53 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 176.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.581 HG22 HG12 ' A' ' 23' ' ' ILE . 77.9 t -135.5 116.86 19.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.813 0.339 . . . . 0.0 110.394 -178.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.01 119.47 32.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.388 177.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.508 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 7.1 p90 -135.31 171.63 14.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.543 -176.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.535 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 37.4 m80 -114.79 140.29 49.03 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 175.136 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.88 -174.81 4.64 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.118 169.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -70.83 2.31 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.678 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -98.83 -2.56 37.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.011 0.434 . . . . 0.0 110.21 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.65 16.45 80.64 Favored Glycine 0 C--N 1.331 0.269 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -175.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.535 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 12.7 p-10 -94.41 133.22 38.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.909 -0.646 . . . . 0.0 110.608 -177.322 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.508 ' HA ' ' O ' ' A' ' 32' ' ' TYR . . . -96.12 116.98 29.81 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.198 -177.423 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.3 mtm -121.4 169.44 10.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.08 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.453 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 38.7 tt0 -129.77 128.41 42.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.961 0.41 . . . . 0.0 110.724 -173.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.625 HD11 ' HB3' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -134.35 140.9 44.99 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.48 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.534 -175.731 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.427 ' OD1' ' HB2' ' A' ' 45' ' ' ASP . 26.5 t-20 -66.02 136.81 56.55 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 122.384 -0.197 . . . . 0.0 111.283 -177.249 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -66.61 -8.99 30.98 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -170.871 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.427 ' HB2' ' OD1' ' A' ' 43' ' ' ASN . 0.9 OUTLIER -79.65 -11.11 59.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.967 0.413 . . . . 0.0 110.699 176.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.625 ' HB3' HD11 ' A' ' 42' ' ' ILE . 13.4 t70 -86.65 -45.95 10.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.996 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.589 ' HA ' HG22 ' A' ' 9' ' ' THR . 6.8 m -70.46 163.86 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-O 120.936 0.398 . . . . 0.0 111.319 178.226 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.55 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . 36.2 t -157.55 -69.83 0.1 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.041 -179.14 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.831 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 78.4 mt-30 -93.82 98.47 11.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.254 0.549 . . . . 0.0 111.621 -174.182 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.491 HD13 ' HG3' ' A' ' 21' ' ' PRO . 13.7 tt -144.16 -45.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.794 171.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 13.1 tt -87.06 -24.05 6.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.211 0.529 . . . . 0.0 109.979 175.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -88.57 -1.72 58.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.464 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.129 -178.251 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 CA--C 1.518 -0.271 0 CA-C-O 121.173 0.511 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.493 ' HG3' HD11 ' A' ' 50' ' ' ILE . 56.1 ttp -113.03 101.14 9.18 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.368 179.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.618 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . . . -80.28 122.64 27.14 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 173.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.4 p -104.04 -179.66 4.01 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -171.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.68 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 33.7 ttpt -48.9 -43.09 38.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.507 -1.224 . . . . 0.0 112.161 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -78.0 -2.61 37.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.579 -175.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.28 -7.27 82.08 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.597 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 13' ' ' ARG . 7.5 ptp85 -74.45 134.52 42.33 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.087 0.47 . . . . 0.0 110.455 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.5 ttm -91.71 114.85 27.49 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.097 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.7 mt -95.89 125.95 48.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.516 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 16' ' ' LEU . 2.9 mm? -75.28 111.28 10.37 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 176.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.522 ' HB ' ' H ' ' A' ' 19' ' ' GLY . 3.7 p -110.95 156.66 20.89 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.365 -176.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.926 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 7.5 t70 -65.2 -22.37 66.89 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 164.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.522 ' H ' ' HB ' ' A' ' 17' ' ' THR . . . 93.96 -170.14 30.22 Favored Glycine 0 CA--C 1.496 -1.127 0 CA-C-N 113.438 -1.71 . . . . 0.0 110.956 171.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp 65.86 55.03 1.04 Allowed Pre-proline 0 CA--C 1.534 0.339 0 C-N-CA 118.751 -1.18 . . . . 0.0 111.82 160.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -85.55 149.63 10.1 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.531 2.154 . . . . 0.0 113.808 -170.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -109.36 117.7 34.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.432 177.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.533 HG12 HG22 ' A' ' 30' ' ' VAL . 50.5 mt -95.65 130.47 44.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.804 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -82.85 96.36 8.22 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 169.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -77.58 2.35 16.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.632 -170.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -87.11 -12.89 45.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.983 0.421 . . . . 0.0 110.266 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.547 HG23 ' HG ' ' A' ' 29' ' ' LEU . 6.4 t -137.74 -35.52 0.65 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.204 178.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.432 ' O ' ' HG2' ' A' ' 44' ' ' ARG . . . 105.14 32.49 4.01 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.573 -179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.547 ' HG ' HG23 ' A' ' 27' ' ' THR . 52.2 mt -103.23 132.59 49.37 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.6 HG21 HG21 ' A' ' 47' ' ' VAL . 46.8 t -107.08 110.87 33.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.277 -174.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.4 m -84.52 105.17 15.13 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.475 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.475 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 16.3 p90 -110.47 175.56 5.38 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.926 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 24.9 m170 -120.59 117.58 27.96 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.509 ' HB3' ' OE1' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -74.36 175.83 7.3 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.178 0.513 . . . . 0.0 111.698 175.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -57.35 -31.72 66.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.45 -177.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.509 ' OE1' ' HB3' ' A' ' 34' ' ' ASP . 15.8 mp0 -80.61 0.34 34.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.797 -175.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.6 35.32 29.18 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.489 -0.862 . . . . 0.0 111.284 -176.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.514 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 92.7 m-20 -103.18 125.72 50.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.692 -0.254 . . . . 0.0 110.911 -177.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.475 ' HA ' ' O ' ' A' ' 32' ' ' TYR . . . -90.69 100.22 13.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.942 176.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 77.8 mtm -121.91 160.26 25.16 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.155 -177.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.541 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 77.2 mt-30 -113.97 124.59 52.54 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.173 -176.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.608 HD11 HG22 ' A' ' 47' ' ' VAL . 10.9 pt -110.0 -179.79 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.903 0.382 . . . . 0.0 110.319 175.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -85.11 137.57 32.95 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.056 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 28' ' ' GLY . 0.8 OUTLIER -57.16 -35.49 69.6 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 123.12 0.263 . . . . 0.0 111.497 177.65 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.52 -19.28 62.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.06 0.457 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.68 ' HA ' ' HB2' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -86.09 -11.89 51.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.538 178.584 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.608 HG22 HD11 ' A' ' 42' ' ' ILE . 15.6 t -82.17 116.56 26.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 175.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.1 t -105.94 -72.4 0.72 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.665 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.618 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 15.6 mm100 -124.88 110.71 14.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.122 0.487 . . . . 0.0 111.913 -175.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.493 HD11 ' HG3' ' A' ' 7' ' ' MET . 49.9 mm . . . . . 0 C--N 1.322 -0.607 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 171.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 120.969 0.414 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 59.1 ttp -121.29 105.11 10.24 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.77 ' HB3' ' HG3' ' A' ' 49' ' ' GLN . . . -93.86 119.79 33.26 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.421 ' HB ' ' OD2' ' A' ' 46' ' ' ASP . 43.0 p -86.12 172.46 10.56 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.355 -175.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.561 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 6.7 ttpm? -62.95 -25.99 68.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.835 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -54.78 -31.66 59.12 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.853 175.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.44 16.61 24.26 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.205 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -105.72 144.14 32.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.756 0.313 . . . . 0.0 110.618 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -97.84 104.1 16.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.059 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.4 mt -95.46 115.13 33.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.36 96.52 1.89 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.4 p -102.76 163.28 12.31 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.876 -174.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.5 157.77 25.81 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 169.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.6 72.45 2.83 Favored Glycine 0 CA--C 1.506 -0.47 0 C-N-CA 119.762 -1.208 . . . . 0.0 110.893 -177.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.664 ' H ' ' HD3' ' A' ' 21' ' ' PRO . 4.4 tmtt? 170.31 52.29 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.492 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -155.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.664 ' HD3' ' H ' ' A' ' 20' ' ' LYS . 6.2 Cg_exo -73.81 110.55 3.1 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.696 1.597 . . . . 0.0 110.545 173.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.42 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 4.5 tp10 -76.14 100.83 5.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.738 -176.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.478 HG12 HG22 ' A' ' 30' ' ' VAL . 50.3 mt -94.28 106.92 18.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.721 -175.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -83.09 107.45 15.67 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 174.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -73.52 -11.51 60.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.313 0.577 . . . . 0.0 110.836 -172.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -79.5 -58.16 3.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.971 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.459 ' HB ' HD13 ' A' ' 29' ' ' LEU . 36.7 p -82.9 -28.78 29.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.007 0.432 . . . . 0.0 110.857 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.12 15.09 55.0 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.976 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.459 HD13 ' HB ' ' A' ' 27' ' ' THR . 11.1 mp -95.0 144.49 25.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.336 0.589 . . . . 0.0 111.541 -178.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.478 HG22 HG12 ' A' ' 23' ' ' ILE . 90.0 t -114.81 108.7 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.91 177.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.42 ' HB2' ' HB3' ' A' ' 22' ' ' GLU . 7.5 m -87.7 115.97 25.52 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.836 177.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.548 ' HE1' HG23 ' A' ' 42' ' ' ILE . 27.8 p90 -116.54 141.27 48.4 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.951 0.405 . . . . 0.0 110.596 -177.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.643 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 15.7 t-80 -94.42 117.68 30.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.531 178.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.598 ' HB3' ' H ' ' A' ' 36' ' ' GLN . 56.3 m-20 -66.62 163.24 19.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.16 176.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -70.66 -16.22 62.79 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 166.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.598 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 10.1 tt0 -76.08 -12.52 60.13 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.157 -1.383 . . . . 0.0 110.462 178.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.455 ' HA2' ' NE2' ' A' ' 33' ' ' HIS . . . 85.28 37.05 10.13 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.687 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.643 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 92.8 m-20 -119.7 150.52 40.23 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.64 96.61 6.38 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 170.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 32' ' ' TYR . 62.7 mtm -104.5 160.34 15.01 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.17 131.34 53.64 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.236 -175.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.687 HD11 HG22 ' A' ' 47' ' ' VAL . 15.0 pt -114.33 -179.08 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 167.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -99.34 151.27 21.25 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.598 174.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.601 ' HA ' HG23 ' A' ' 47' ' ' VAL . 50.3 ttp180 -63.22 -23.77 67.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.71 -18.67 60.6 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.802 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.561 ' OD1' ' HB3' ' A' ' 10' ' ' LYS . 14.6 t70 -111.71 -0.14 16.1 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.504 -176.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.687 HG22 HD11 ' A' ' 42' ' ' ILE . 8.3 t -78.59 103.94 6.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 176.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.0 t -92.58 -64.7 1.07 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.749 0.309 . . . . 0.0 111.301 -174.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.77 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 12.2 pt20 -138.84 126.38 21.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.193 0.52 . . . . 0.0 111.04 -177.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.3 tt . . . . . 0 C--N 1.321 -0.645 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.382 -178.58 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 112.008 0.374 . . . . 0.0 112.008 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.0 ttp -132.45 111.2 11.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.134 0.493 . . . . 0.0 111.25 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.837 ' HB3' ' HB3' ' A' ' 49' ' ' GLN . . . -87.13 139.3 30.71 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 172.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.539 ' OG1' ' HG2' ' A' ' 13' ' ' ARG . 19.0 p -114.11 164.07 14.34 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -175.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -56.14 -39.13 71.79 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.319 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -55.64 -32.52 63.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.224 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.65 56.21 0.87 Allowed Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.803 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.539 ' HG2' ' OG1' ' A' ' 9' ' ' THR . 4.6 ptm180 -150.6 134.37 16.64 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.8 ttm -91.54 110.91 22.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.109 -178.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.6 mt -94.78 120.37 44.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.49 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' A' ' 35' ' ' GLN . 0.3 OUTLIER -74.81 104.79 5.58 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.525 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.422 HG22 ' HD2' ' A' ' 32' ' ' TYR . 15.1 p -97.24 143.23 28.23 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.992 -174.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.652 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 3.1 t70 -62.44 -43.47 98.73 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 168.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.83 -176.42 23.17 Favored Glycine 0 CA--C 1.497 -1.092 0 N-CA-C 109.579 -1.409 . . . . 0.0 109.579 171.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 71.63 78.44 0.21 Allowed Pre-proline 0 N--CA 1.455 -0.195 0 C-N-CA 118.559 -1.257 . . . . 0.0 112.666 164.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -80.94 93.56 1.01 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 121.942 1.762 . . . . 0.0 111.112 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -79.64 87.96 5.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.544 0.688 . . . . 0.0 109.608 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.527 HG12 HG22 ' A' ' 30' ' ' VAL . 30.3 mt -80.7 103.27 7.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.864 -175.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -74.89 97.15 3.26 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 176.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -77.57 2.93 14.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.601 -170.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -69.03 -32.03 71.25 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 174.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.414 HG23 ' HG ' ' A' ' 29' ' ' LEU . 3.8 t -118.88 -26.54 6.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.717 178.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.1 27.98 11.51 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.858 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.414 ' HG ' HG23 ' A' ' 27' ' ' THR . 55.1 mt -106.41 149.98 26.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.932 0.396 . . . . 0.0 110.116 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.527 HG22 HG12 ' A' ' 23' ' ' ILE . 49.0 t -103.57 105.16 17.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.495 -177.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 m -83.55 95.91 8.46 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.303 0.573 . . . . 0.0 109.729 176.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.471 ' CE1' HG23 ' A' ' 42' ' ' ILE . 16.9 p90 -102.2 175.75 5.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.838 -177.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.652 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 8.9 m170 -119.55 129.35 54.62 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.435 ' HB3' ' H ' ' A' ' 36' ' ' GLN . 67.1 m-20 -69.73 163.53 25.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.393 177.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.519 ' HB3' HD12 ' A' ' 16' ' ' LEU . 30.1 pt20 -68.72 -19.77 64.37 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 163.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.435 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 10.5 tt0 -72.84 -27.19 61.79 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.346 -1.297 . . . . 0.0 110.118 177.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.07 20.81 9.42 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.526 -0.845 . . . . 0.0 114.07 174.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.428 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 3.3 m-80 -108.95 160.01 16.36 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 117.535 0.667 . . . . 0.0 109.969 176.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 32' ' ' TYR . . . -107.43 105.43 15.35 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 173.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.6 mtm -112.7 159.89 18.46 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.132 -178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 38.1 mt-30 -115.92 117.26 29.67 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.041 -175.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.597 HD11 HG22 ' A' ' 47' ' ' VAL . 5.9 pt -104.35 -179.66 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 172.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.472 ' ND2' ' HB3' ' A' ' 45' ' ' ASP . 53.4 t30 -89.03 142.05 27.97 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.428 ' HA ' HG23 ' A' ' 47' ' ' VAL . 55.2 ttp180 -68.3 -32.19 72.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.895 0.379 . . . . 0.0 110.691 -178.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.472 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 19.6 t70 -70.78 -20.37 62.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.507 0.67 . . . . 0.0 110.24 175.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.27 -3.28 59.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.288 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.597 HG22 HD11 ' A' ' 42' ' ' ILE . 12.5 t -80.24 103.5 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.7 t -92.57 -33.26 14.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -175.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.837 ' HB3' ' HB3' ' A' ' 8' ' ' ALA . 1.4 tm0? -152.06 149.6 29.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.738 0.304 . . . . 0.0 110.314 178.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.1 tt . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.427 174.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.24 0.543 . . . . 0.0 111.692 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 50.1 ttp -75.53 102.07 5.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.058 174.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.05 120.22 18.37 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.1 p -105.31 172.78 6.61 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.938 0.399 . . . . 0.0 111.924 -173.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -53.54 -38.49 63.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.842 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -66.91 -17.95 65.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.055 -177.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.65 1.37 63.88 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.164 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 ptm85 -96.3 142.1 28.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.945 0.402 . . . . 0.0 110.928 -178.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -93.49 111.78 23.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.364 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.1 mt -91.52 127.34 43.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 175.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.52 111.28 4.62 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -175.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.417 ' HB ' ' HA ' ' A' ' 20' ' ' LYS . 1.4 p -124.26 78.75 1.68 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -170.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -93.24 121.61 34.78 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 163.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.459 ' HA3' ' HB2' ' A' ' 33' ' ' HIS . . . 116.42 -60.85 0.42 Allowed Glycine 0 CA--C 1.502 -0.731 0 N-CA-C 108.184 -1.967 . . . . 0.0 108.184 -162.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER 77.13 132.76 0.04 OUTLIER Pre-proline 0 CA--C 1.537 0.466 0 N-CA-C 116.868 2.173 . . . . 0.0 116.868 140.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.528 ' HD2' ' HG2' ' A' ' 20' ' ' LYS . 74.2 Cg_exo -45.3 130.32 11.17 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 124.826 3.684 . . . . 0.0 115.456 -174.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.484 ' HB3' ' OG ' ' A' ' 31' ' ' SER . 10.7 tt0 -117.0 112.39 20.89 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 169.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.9 mt -70.81 108.23 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.122 0.487 . . . . 0.0 110.899 -176.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -82.15 88.06 6.48 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 176.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -80.31 -14.03 58.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.225 -161.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -93.04 -2.48 55.61 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.629 0.728 . . . . 0.0 109.623 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.26 -35.54 3.42 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.163 -173.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.46 12.56 44.37 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.567 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.1 mp -118.14 172.45 7.42 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 -179.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 21' ' ' PRO . 61.5 t -136.75 116.34 16.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.484 ' OG ' ' HB3' ' A' ' 22' ' ' GLU . 7.0 p -82.92 106.91 15.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.842 0.353 . . . . 0.0 111.021 -178.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -113.14 154.87 25.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.022 0.439 . . . . 0.0 109.898 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.469 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 48.9 m170 -114.89 127.54 55.76 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.812 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.895 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -66.06 174.21 2.65 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.772 0.796 . . . . 0.0 112.92 -178.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -69.67 -9.29 53.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.268 -1.333 . . . . 0.0 110.36 175.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.466 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 27.5 mm-40 -114.87 20.95 14.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.419 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.39 40.47 94.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.825 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.895 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 78.0 m-20 -97.22 117.47 31.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 178.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.86 103.41 15.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.798 0.332 . . . . 0.0 110.93 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 78.9 mtm -131.09 154.49 48.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.764 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -113.22 124.4 52.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.867 0.365 . . . . 0.0 110.807 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.789 HD11 ' HB ' ' A' ' 47' ' ' VAL . 9.0 pt -100.06 -179.0 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.482 175.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -87.88 151.33 22.92 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.667 0.27 . . . . 0.0 110.525 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.2 ttt-85 -63.01 -24.25 67.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.173 0.511 . . . . 0.0 110.313 177.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -86.96 -18.94 29.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.158 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -79.85 -30.46 40.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.815 0.34 . . . . 0.0 110.821 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.789 ' HB ' HD11 ' A' ' 42' ' ' ILE . 9.5 p -85.22 139.35 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.276 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.8 t -108.73 -58.69 1.98 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.678 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -150.35 137.92 19.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.652 0.263 . . . . 0.0 110.518 -178.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.478 HG21 ' HG2' ' A' ' 21' ' ' PRO . 20.6 pt . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.009 176.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.7 t . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.7 ttp -119.42 116.32 25.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.193 0.521 . . . . 0.0 111.172 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.75 131.93 35.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.167 174.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.0 p -104.07 167.26 9.88 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.526 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 30.7 ttpt -55.19 -40.64 70.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.542 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -66.82 -27.8 67.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.845 -176.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.65 18.01 11.39 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.367 -0.921 . . . . 0.0 112.703 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -103.97 138.87 39.9 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 176.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 91.8 mmm -94.97 116.98 29.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.823 -174.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.6 mt -102.38 121.06 52.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.273 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -81.39 125.28 30.21 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 33' ' ' HIS . 12.5 p -117.97 143.7 46.15 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.454 0.645 . . . . 0.0 112.051 -173.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.436 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 29.5 t70 -75.62 -9.29 58.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 122.117 0.96 . . . . 0.0 108.525 171.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.48 179.73 18.75 Favored Glycine 0 CA--C 1.503 -0.667 0 CA-C-N 114.31 -1.313 . . . . 0.0 110.804 171.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 8.6 mtpm? 72.63 78.45 0.2 Allowed Pre-proline 0 C--N 1.342 0.279 0 C-N-CA 119.167 -1.013 . . . . 0.0 113.102 166.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -86.17 98.07 0.56 Allowed 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 122.459 2.106 . . . . 0.0 111.84 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 67.2 mm-40 -81.92 90.78 6.48 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.211 0.529 . . . . 0.0 110.719 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.56 HG12 HG22 ' A' ' 30' ' ' VAL . 18.1 mt -85.0 119.59 34.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.153 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.424 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 2.1 p30 -77.59 165.48 24.24 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -115.68 12.11 15.92 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.259 0.552 . . . . 0.0 110.679 177.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -75.1 -50.33 16.72 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 173.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.656 HG23 ' HG ' ' A' ' 29' ' ' LEU . 5.0 t -130.22 -26.81 2.3 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.377 177.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 24' ' ' ASP . . . 101.0 35.09 4.36 Favored Glycine 0 N--CA 1.441 -0.982 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.307 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.656 ' HG ' HG23 ' A' ' 27' ' ' THR . 64.0 mt -84.26 134.59 34.52 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.355 0.598 . . . . 0.0 110.232 176.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.56 HG22 HG12 ' A' ' 23' ' ' ILE . 44.5 t -91.61 102.69 13.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.32 -178.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.564 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . 12.0 m -84.09 103.94 13.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.066 0.46 . . . . 0.0 109.768 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.551 ' CE1' HG23 ' A' ' 42' ' ' ILE . 49.8 p90 -109.78 171.83 7.21 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.57 -175.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.441 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 34.0 m80 -109.54 115.32 29.69 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 173.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.691 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -66.48 164.35 16.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.653 0.263 . . . . 0.0 111.147 176.804 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -59.74 -30.82 69.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.491 0.662 . . . . 0.0 109.701 173.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.1 -3.3 38.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.162 -178.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.11 30.14 32.08 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.941 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.691 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 74.9 m-20 -97.08 140.77 31.1 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.64 92.4 4.09 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 176.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.465 ' O ' ' HA ' ' A' ' 31' ' ' SER . 21.0 mtm -121.21 169.32 10.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.368 -172.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.532 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . 22.9 mt-30 -125.06 123.3 39.49 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.465 0.172 . . . . 0.0 111.465 -172.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.551 HG23 ' CE1' ' A' ' 32' ' ' TYR . 5.9 pt -105.33 -179.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 170.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.12 144.31 25.6 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 121.218 -0.193 . . . . 0.0 111.001 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 44' ' ' ARG . 14.2 ptt85 -61.05 -31.98 71.62 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.595 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -75.98 -12.48 60.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.503 0.668 . . . . 0.0 110.181 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.526 ' HA ' ' HB2' ' A' ' 10' ' ' LYS . 1.1 m-20 -100.91 2.14 40.56 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.515 -175.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.536 HG22 HD11 ' A' ' 42' ' ' ILE . 12.6 t -82.43 108.49 15.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.0 t -93.08 -63.66 1.19 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.203 -174.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -147.81 144.5 28.23 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 59.1 mt . . . . . 0 C--N 1.326 -0.45 0 CA-C-O 120.834 0.35 . . . . 0.0 110.534 178.583 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.449 -0.493 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -129.84 129.32 43.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.898 0.38 . . . . 0.0 110.075 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.41 117.13 29.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.718 -176.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.3 p -90.65 169.23 11.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.057 0.456 . . . . 0.0 111.373 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -77.59 -23.38 49.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.528 175.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.38 -40.79 98.19 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.834 176.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.59 -18.41 7.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.639 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -70.53 137.17 49.94 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 120.999 0.428 . . . . 0.0 110.489 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 92.0 mmm -101.02 95.13 6.37 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 177.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.1 mt -77.89 115.4 19.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.967 0.413 . . . . 0.0 110.927 -174.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.554 HD22 ' H ' ' A' ' 16' ' ' LEU . 2.1 mm? -71.9 121.15 18.55 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 176.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.469 HG22 ' CD2' ' A' ' 32' ' ' TYR . 16.8 p -117.37 151.52 36.86 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.857 0.36 . . . . 0.0 111.381 -175.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -75.67 -32.05 60.01 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 167.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.64 -166.19 26.6 Favored Glycine 0 CA--C 1.502 -0.761 0 CA-C-N 113.829 -1.532 . . . . 0.0 109.809 171.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.534 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 25.8 mmmt 72.95 79.7 0.18 Allowed Pre-proline 0 N--CA 1.455 -0.176 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 161.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -93.93 93.72 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 122.702 2.268 . . . . 0.0 111.735 173.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.416 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 3.5 tp10 -86.44 99.1 11.41 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.65 HG12 HG22 ' A' ' 30' ' ' VAL . 53.5 mt -85.47 125.01 40.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.557 -172.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -98.83 107.2 19.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.506 173.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -72.85 -23.56 60.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.883 -171.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -63.2 -40.13 96.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.943 0.401 . . . . 0.0 111.016 -176.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 t -103.92 -29.25 11.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.717 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.03 39.03 6.22 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.515 -177.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.547 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 63.2 mt -119.25 149.69 41.34 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.65 HG22 HG12 ' A' ' 23' ' ' ILE . 98.0 t -112.28 114.52 47.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.833 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' A' ' 40' ' ' MET . 19.1 m -85.29 101.13 12.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.159 177.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.534 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 26.9 p90 -107.15 162.12 14.16 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.174 -178.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -102.9 115.61 30.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.219 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.439 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -66.81 175.52 2.4 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -57.83 -29.14 64.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.099 -1.41 . . . . 0.0 110.554 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -90.51 -2.5 57.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.579 -177.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.99 17.34 59.61 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.033 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.439 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 94.1 m-20 -81.16 132.67 35.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.63 0.253 . . . . 0.0 111.018 -178.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.93 104.35 15.98 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.428 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.522 ' O ' ' HA ' ' A' ' 31' ' ' SER . 23.0 ptp -131.72 164.02 26.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.292 -179.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.547 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . 42.0 mt-30 -111.92 124.58 52.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.126 -175.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.622 HD11 HG22 ' A' ' 47' ' ' VAL . 6.3 pt -104.18 176.23 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 170.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -83.54 135.66 34.55 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.552 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.9 ttp85 -61.18 -33.13 72.94 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.065 0.459 . . . . 0.0 110.276 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -63.07 -27.26 69.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.935 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -83.86 -21.2 32.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.622 HG22 HD11 ' A' ' 42' ' ' ILE . 15.7 t -69.78 111.92 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.162 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.8 t -99.63 -64.29 1.05 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.409 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -142.98 179.21 7.17 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 41.0 mm . . . . . 0 C--N 1.325 -0.491 0 CA-C-O 121.074 0.464 . . . . 0.0 109.841 177.034 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 C--O 1.237 0.437 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.53 ' HG2' HG12 ' A' ' 50' ' ' ILE . 14.6 tmm? -108.39 110.37 21.9 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.108 0.48 . . . . 0.0 109.908 -178.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.792 ' HB3' ' HB3' ' A' ' 49' ' ' GLN . . . -91.69 129.18 37.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.26 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.0 p -93.05 -179.97 5.26 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.691 0.757 . . . . 0.0 112.216 -174.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.408 ' HE2' ' HA ' ' A' ' 46' ' ' ASP . 34.6 ttpt -55.04 -43.34 73.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.231 -1.35 . . . . 0.0 111.691 177.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.559 ' HB2' ' HG2' ' A' ' 13' ' ' ARG . 7.3 m-20 -63.74 -30.56 71.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.883 -176.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.38 -11.54 28.47 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.31 -175.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.559 ' HG2' ' HB2' ' A' ' 11' ' ' ASP . 20.5 ptt180 -71.27 132.26 44.66 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 176.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 87.3 mtp -98.4 117.4 32.74 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.454 -176.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.9 mt -97.68 126.76 50.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.459 -177.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.32 115.34 14.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.523 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 p -129.84 155.52 45.86 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.562 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -84.54 140.42 31.44 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 161.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.615 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -61.12 156.55 33.36 Favored Glycine 0 CA--C 1.499 -0.919 0 CA-C-O 118.69 -1.061 . . . . 0.0 113.235 -158.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.615 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 48.3 mtmt 92.83 76.69 0.03 OUTLIER Pre-proline 0 C--N 1.351 0.634 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 172.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -76.25 130.89 12.4 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 122.332 2.021 . . . . 0.0 111.271 173.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.34 107.41 18.81 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 59.8 mt -87.27 127.31 40.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.109 0.481 . . . . 0.0 111.078 -174.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.472 ' OD1' HG22 ' A' ' 27' ' ' THR . 10.2 t70 -93.81 113.5 25.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.672 177.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -87.52 6.5 33.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.949 -175.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -95.12 -52.81 4.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.848 0.356 . . . . 0.0 110.182 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.704 HG23 ' HG ' ' A' ' 29' ' ' LEU . 7.8 t -98.06 -18.05 18.77 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.979 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.41 33.43 13.92 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.377 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.704 ' HG ' HG23 ' A' ' 27' ' ' THR . 49.5 mt -106.5 162.57 13.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.814 0.34 . . . . 0.0 110.536 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.0 t -123.27 112.33 33.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.97 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' A' ' 40' ' ' MET . 10.9 m -84.18 100.73 11.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.217 0.532 . . . . 0.0 110.586 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -97.54 177.59 5.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.513 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -124.72 132.73 53.36 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.957 0.408 . . . . 0.0 111.893 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.617 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -67.5 151.82 46.71 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.231 168.387 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -74.76 -7.92 54.84 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 170.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.469 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 10.1 tt0 -83.27 -11.27 57.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.152 -1.386 . . . . 0.0 110.164 175.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.22 31.86 8.19 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.635 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.617 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 82.4 m-20 -113.58 128.25 56.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.91 0.386 . . . . 0.0 111.788 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.86 121.47 32.01 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 174.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.437 ' O ' ' HA ' ' A' ' 31' ' ' SER . 72.2 mtm -135.88 157.71 46.19 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -178.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -119.23 125.52 49.35 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.259 -175.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.628 HD11 HG13 ' A' ' 47' ' ' VAL . 4.8 pt -105.39 -179.45 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 169.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.418 ' HB2' ' OD2' ' A' ' 46' ' ' ASP . 62.1 m-80 -81.17 144.92 31.29 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.332 176.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -71.42 -11.16 60.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 122.059 0.933 . . . . 0.0 108.592 172.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -74.2 -21.1 59.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.238 -1.346 . . . . 0.0 110.061 172.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.53 ' HB2' HD12 ' A' ' 42' ' ' ILE . 68.9 m-20 -102.19 -12.83 17.74 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -173.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.628 HG13 HD11 ' A' ' 42' ' ' ILE . 12.7 m -79.2 158.68 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.159 175.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.2 t -152.56 -62.41 0.16 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.664 0.268 . . . . 0.0 111.656 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.792 ' HB3' ' HB3' ' A' ' 8' ' ' ALA . 27.6 tt0 -118.65 100.21 7.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.097 0.475 . . . . 0.0 110.963 -172.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.53 HG12 ' HG2' ' A' ' 7' ' ' MET . 66.2 mt . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.886 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.4 p . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 120.838 0.351 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.9 ttp -124.79 115.75 21.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.449 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.44 119.54 31.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.817 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.2 p -97.78 -179.1 4.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.191 0.519 . . . . 0.0 111.834 -176.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -44.94 -41.43 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.789 -1.096 . . . . 0.0 111.745 176.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.55 ' HB2' ' HG2' ' A' ' 13' ' ' ARG . 1.5 m-20 -65.1 -21.27 66.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.331 -174.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.03 0.36 71.45 Favored Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -174.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.55 ' HG2' ' HB2' ' A' ' 11' ' ' ASP . 33.0 ptt180 -82.8 143.18 31.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.86 0.362 . . . . 0.0 110.334 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 63.4 mtt -98.06 104.2 16.22 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.002 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 67.0 mt -84.22 126.33 40.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.256 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -77.45 122.28 24.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.936 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.472 HG22 ' CD2' ' A' ' 32' ' ' TYR . 56.2 p -123.0 158.61 30.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.392 -176.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.464 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 28.9 t70 -74.45 -11.58 60.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 122.304 1.05 . . . . 0.0 108.602 171.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.47 165.77 20.14 Favored Glycine 0 CA--C 1.499 -0.942 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.758 172.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt 72.71 78.46 0.2 Allowed Pre-proline 0 C--N 1.343 0.317 0 C-N-CA 118.647 -1.221 . . . . 0.0 111.981 166.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -81.64 119.69 3.38 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.341 2.027 . . . . 0.0 112.3 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -83.2 99.07 9.71 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mt -83.69 108.39 16.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.679 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.469 ' HB3' HG22 ' A' ' 27' ' ' THR . 2.5 m-20 -68.92 113.25 6.16 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -73.72 -27.42 61.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.573 -168.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -84.97 -52.51 5.93 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.439 -175.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.469 HG22 ' HB3' ' A' ' 24' ' ' ASP . 7.7 t -82.88 -29.41 29.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.725 0.298 . . . . 0.0 111.346 -176.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.02 24.15 30.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.688 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.478 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 60.5 mt -101.33 140.31 35.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 46.4 t -100.8 100.34 10.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 120.868 0.365 . . . . 0.0 110.317 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.9 m -85.82 109.56 18.76 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.156 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.472 ' CD2' HG22 ' A' ' 17' ' ' THR . 32.4 p90 -120.07 161.23 21.32 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.031 0.443 . . . . 0.0 111.128 -176.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.464 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 32.5 m170 -92.17 124.17 36.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.975 177.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.825 ' HB2' ' H ' ' A' ' 38' ' ' ASN . 8.8 m-20 -64.79 162.19 16.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.167 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -17.69 60.97 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 169.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -83.4 -13.3 55.19 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.982 176.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.01 29.81 8.31 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.094 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.825 ' H ' ' HB2' ' A' ' 34' ' ' ASP . 18.1 m-80 -108.6 -179.62 3.92 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 176.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -136.09 107.3 6.79 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.312 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -135.3 169.51 17.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.758 0.313 . . . . 0.0 110.972 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.521 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 20.0 mp0 -111.17 148.18 33.33 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -170.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.658 HD11 ' HB ' ' A' ' 47' ' ' VAL . 11.1 pt -120.97 -178.91 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 166.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -86.78 143.88 27.31 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -66.11 -25.56 67.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.048 0.451 . . . . 0.0 109.845 176.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.21 -28.32 61.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.065 0.46 . . . . 0.0 110.858 175.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -84.41 -20.27 32.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.797 -174.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.658 ' HB ' HD11 ' A' ' 42' ' ' ILE . 12.1 p -83.04 140.97 15.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 176.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.5 t -128.71 -73.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.812 -173.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -111.45 113.34 25.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.298 0.571 . . . . 0.0 112.01 -175.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.523 HD11 HG21 ' A' ' 47' ' ' VAL . 60.7 mt . . . . . 0 C--N 1.323 -0.562 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.69 173.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 m . . . . . 0 N--CA 1.472 0.649 0 CA-C-O 121.631 0.729 . . . . 0.0 112.125 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -69.58 108.0 3.65 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.612 -175.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.25 126.81 33.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.486 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.634 ' OG1' ' HG3' ' A' ' 13' ' ' ARG . 27.6 p -95.39 166.47 11.86 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.064 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.419 ' HE2' ' HA ' ' A' ' 46' ' ' ASP . 36.6 ttpt -58.23 -31.38 67.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.899 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.47 -35.96 76.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.464 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.41 -10.04 11.69 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.069 -178.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.634 ' HG3' ' OG1' ' A' ' 9' ' ' THR . 5.7 ptt85 -73.76 124.5 26.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.194 0.521 . . . . 0.0 110.546 177.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.8 mmt -89.11 119.58 29.74 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.451 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.8 mt -105.56 124.51 60.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.856 0.36 . . . . 0.0 111.499 -176.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.404 HD22 ' N ' ' A' ' 16' ' ' LEU . 3.4 mm? -69.48 116.22 9.65 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 174.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.506 HG22 ' CD2' ' A' ' 32' ' ' TYR . 12.7 p -130.0 150.56 51.22 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -169.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.746 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 21.6 t70 -63.77 156.03 28.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.919 167.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -78.95 73.03 2.37 Favored Glycine 0 N--CA 1.466 0.641 0 C-N-CA 119.848 -1.168 . . . . 0.0 112.444 -169.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 19.8 tttt 162.52 85.98 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.289 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -158.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -91.9 98.31 0.2 Allowed 'Trans proline' 0 N--CA 1.448 -1.15 0 C-N-CA 122.633 2.222 . . . . 0.0 110.655 169.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -80.09 95.44 6.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.406 0.622 . . . . 0.0 109.709 -173.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.481 HG12 HG22 ' A' ' 30' ' ' VAL . 39.5 mt -80.42 120.34 31.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.927 -175.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -104.59 93.37 4.73 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 174.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -75.42 -17.39 60.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.792 -172.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -55.18 -46.45 75.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.277 176.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 t -94.05 -29.22 15.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.201 175.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.47 32.67 6.84 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.676 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.6 mt -119.25 158.05 26.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.943 0.401 . . . . 0.0 110.476 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.531 HG21 HG21 ' A' ' 47' ' ' VAL . 87.8 t -118.82 110.19 29.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 175.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.1 m -88.34 105.41 17.55 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.264 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.527 ' CZ ' ' HG3' ' A' ' 40' ' ' MET . 42.7 p90 -113.03 175.35 5.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.777 0.322 . . . . 0.0 110.167 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.746 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 30.1 m80 -116.9 128.37 55.16 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 174.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.441 ' HB3' ' H ' ' A' ' 36' ' ' GLN . 0.6 OUTLIER -64.04 167.4 6.42 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.284 0.365 . . . . 0.0 111.275 176.475 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -62.61 -23.6 67.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.351 0.596 . . . . 0.0 109.634 171.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.441 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 63.2 mt-30 -73.85 -28.0 61.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.976 176.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.54 7.15 30.34 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.965 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.558 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 42.3 m-80 -76.84 148.89 36.27 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.997 0.398 . . . . 0.0 110.529 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.07 114.91 28.58 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 174.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.527 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 2.7 ptm -146.01 145.91 30.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.984 0.421 . . . . 0.0 111.18 -172.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -105.04 145.74 30.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.569 -173.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.578 HD11 HG22 ' A' ' 47' ' ' VAL . 11.9 pt -122.8 -178.97 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 165.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.417 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 9.1 t-20 -83.8 142.12 30.88 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.354 178.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -65.03 -28.06 69.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.18 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -87.08 -3.98 59.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.272 0.558 . . . . 0.0 110.619 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.419 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 25.7 t70 -93.27 -3.82 52.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.094 -178.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.578 HG22 HD11 ' A' ' 42' ' ' ILE . 2.8 t -86.19 150.34 3.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.158 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.4 t -126.92 -61.53 1.17 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.88 -0.146 . . . . 0.0 111.123 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.85 146.88 49.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 -176.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.2 mt . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.475 179.087 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.2 t . . . . . 0 C--O 1.234 0.251 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.585 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 43.7 ttm -98.27 115.42 28.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.609 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.55 108.86 21.65 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.5 p -86.63 -179.34 6.58 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.295 0.569 . . . . 0.0 112.121 -174.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -62.81 -40.61 97.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.189 176.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -58.8 -38.51 78.74 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.263 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.27 -4.0 28.29 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.752 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -68.96 134.71 49.89 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-O 121.223 0.535 . . . . 0.0 110.429 176.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.3 tpt -93.68 100.11 12.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.481 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.585 ' HB ' ' HB3' ' A' ' 7' ' ' MET . 60.9 mt -86.84 119.08 34.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 120.833 0.349 . . . . 0.0 110.308 -178.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.92 91.04 4.15 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' A' ' 33' ' ' HIS . 6.0 p -87.25 134.53 33.53 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -178.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -56.26 -39.94 73.4 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 155.19 142.42 3.43 Favored Glycine 0 CA--C 1.504 -0.651 0 CA-C-N 114.491 -1.231 . . . . 0.0 111.313 161.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.9 tttt 79.49 95.42 0.04 OUTLIER Pre-proline 0 C--N 1.349 0.582 0 C-N-CA 118.767 -1.173 . . . . 0.0 112.325 166.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.6 126.85 10.5 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.67 2.247 . . . . 0.0 111.687 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.574 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 5.6 tp10 -85.64 97.95 10.4 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 176.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.46 HG12 HG13 ' A' ' 30' ' ' VAL . 45.2 mt -91.29 116.29 32.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 -173.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -89.46 101.42 14.1 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 171.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -72.84 -28.89 62.8 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.537 -167.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -67.39 -46.03 74.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.285 -177.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.556 HG23 ' HG ' ' A' ' 29' ' ' LEU . 8.1 t -94.23 -17.89 22.24 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.84 30.79 31.08 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.2 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.556 ' HG ' HG23 ' A' ' 27' ' ' THR . 61.6 mt -108.95 136.69 48.07 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.57 ' HB ' HG13 ' A' ' 42' ' ' ILE . 60.0 t -114.23 105.42 18.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 120.838 0.352 . . . . 0.0 110.43 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.574 ' HB3' ' HB3' ' A' ' 22' ' ' GLU . 21.4 t -84.44 101.68 12.21 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.482 0.658 . . . . 0.0 110.223 -179.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CE1' HG23 ' A' ' 42' ' ' ILE . 4.6 p90 -97.35 172.73 7.59 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.866 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.477 ' O ' ' HA ' ' A' ' 17' ' ' THR . 37.2 m80 -129.51 114.28 15.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.015 -177.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.819 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -60.96 160.54 9.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.26 0.553 . . . . 0.0 112.127 176.645 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -61.12 -27.96 68.76 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.568 169.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -72.91 -19.42 61.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.585 176.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.83 18.77 19.39 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.835 -0.698 . . . . 0.0 111.909 -176.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.819 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 84.2 m-20 -81.57 115.15 20.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.486 0.184 . . . . 0.0 110.645 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.67 91.51 8.69 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 173.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.552 ' O ' ' HA ' ' A' ' 31' ' ' SER . 77.3 mtm -115.35 176.27 5.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.174 -175.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -131.87 121.84 24.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.989 0.424 . . . . 0.0 111.784 -174.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.666 HD11 ' HB ' ' A' ' 47' ' ' VAL . 17.7 pt -100.35 -178.84 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 171.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.424 HD22 ' HA ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -88.55 145.51 25.68 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.842 0.353 . . . . 0.0 110.567 175.259 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -64.32 -18.28 64.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.508 0.671 . . . . 0.0 109.91 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -88.11 -15.71 35.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.863 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.56 -32.11 15.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.978 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.666 ' HB ' HD11 ' A' ' 42' ' ' ILE . 14.8 p -70.76 144.62 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 176.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.0 t -137.21 -66.83 0.5 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.811 0.338 . . . . 0.0 111.21 -175.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.581 ' HA ' HE21 ' A' ' 49' ' ' GLN . 0.0 OUTLIER -114.6 118.65 34.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.134 0.493 . . . . 0.0 111.811 -174.731 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 43.0 mm . . . . . 0 C--N 1.317 -0.828 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 170.064 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.492 ' HB ' ' SD ' ' A' ' 14' ' ' MET . 14.1 m . . . . . 0 CA--C 1.517 -0.323 0 CA-C-O 120.996 0.426 . . . . 0.0 111.328 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 56.5 ttp -135.07 109.05 8.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.869 177.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.819 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . . . -89.59 121.56 31.91 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.321 -0.4 . . . . 0.0 109.958 178.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.0 p -85.86 178.07 7.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.972 -178.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.455 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 34.7 ttpt -63.06 -22.08 66.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.727 -178.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -65.46 -34.07 77.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.761 174.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.42 -4.28 33.02 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.258 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.429 ' O ' ' HA ' ' A' ' 8' ' ' ALA . 17.3 ptp180 -76.93 133.4 39.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.825 0.345 . . . . 0.0 110.154 177.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.492 ' SD ' ' HB ' ' A' ' 6' ' ' VAL . 52.6 tpp -89.16 100.13 12.98 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 177.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.3 mt -81.33 122.09 35.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.877 -178.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.506 HD22 ' H ' ' A' ' 16' ' ' LEU . 2.0 mm? -75.38 107.71 7.68 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 p -110.91 142.58 42.8 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -169.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.96 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 15.9 t70 -71.86 126.69 30.38 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 159.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.621 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -59.4 159.33 20.57 Favored Glycine 0 CA--C 1.502 -0.775 0 CA-C-O 118.149 -1.362 . . . . 0.0 111.805 -166.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.621 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 60.6 mttp 91.61 76.98 0.04 OUTLIER Pre-proline 0 C--N 1.354 0.792 0 CA-C-N 117.975 0.887 . . . . 0.0 112.268 176.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -88.04 126.73 2.08 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 122.681 2.254 . . . . 0.0 111.949 176.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.594 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 10.6 mm-40 -85.34 105.74 16.22 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.425 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.0 mt -86.76 104.31 13.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.407 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -85.02 139.35 31.84 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.712 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -109.93 9.66 24.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.92 0.391 . . . . 0.0 111.346 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -86.12 -55.22 4.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.273 0.559 . . . . 0.0 110.291 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.768 HG23 ' HG ' ' A' ' 29' ' ' LEU . 5.0 t -112.12 -12.35 13.68 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.046 177.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.4 34.0 18.14 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.051 177.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.768 ' HG ' HG23 ' A' ' 27' ' ' THR . 55.8 mt -101.39 141.2 34.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.983 0.42 . . . . 0.0 110.812 178.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.2 t -106.46 106.9 21.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.729 176.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.594 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . 5.6 m -81.63 130.56 35.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.721 -177.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.434 ' CE1' HG23 ' A' ' 42' ' ' ILE . 31.2 p90 -140.75 165.17 28.24 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.96 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 20.2 m170 -110.25 133.92 52.76 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.33 170.71 15.83 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 174.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.31 -28.88 68.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.962 0.411 . . . . 0.0 110.636 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -66.01 -32.23 73.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.565 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.22 -5.92 21.57 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.689 -0.767 . . . . 0.0 113.009 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -76.83 150.74 36.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.968 0.413 . . . . 0.0 110.738 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.46 118.93 37.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.883 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.427 ' O ' ' HA ' ' A' ' 31' ' ' SER . 74.7 mtm -122.3 171.33 9.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.543 179.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.641 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . 49.0 mt-30 -137.16 116.96 13.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.887 -0.142 . . . . 0.0 110.897 -175.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.5 HD11 HG22 ' A' ' 47' ' ' VAL . 19.2 pt -91.61 -179.71 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.78 148.45 22.11 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.06 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -56.03 -40.0 72.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.126 177.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -75.42 0.05 18.32 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.532 -177.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.455 ' OD1' ' HB3' ' A' ' 10' ' ' LYS . 25.0 t70 -112.17 -0.57 15.52 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.094 0.473 . . . . 0.0 110.926 -174.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.5 HG22 HD11 ' A' ' 42' ' ' ILE . 6.4 t -81.6 109.49 15.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.9 t -109.01 -78.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -173.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.819 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 71.9 mm-40 -109.21 111.78 23.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.685 0.278 . . . . 0.0 111.242 -171.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.8 mt . . . . . 0 C--N 1.322 -0.607 0 CA-C-O 120.919 0.39 . . . . 0.0 110.062 175.648 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.64 HG23 HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.466 0.353 0 CA-C-O 121.37 0.605 . . . . 0.0 111.659 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 58.9 ttp -127.18 102.46 6.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.104 0.478 . . . . 0.0 110.339 177.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.766 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . . . -72.71 135.02 45.29 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 174.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -127.67 155.55 43.76 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 120.863 0.363 . . . . 0.0 111.252 -173.578 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.861 ' HE3' ' HA ' ' A' ' 46' ' ' ASP . 27.6 ttpp -60.52 -44.22 96.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.199 -175.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -76.76 29.55 0.13 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.963 0.411 . . . . 0.0 111.858 -173.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.5 68.59 1.59 Allowed Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 116.236 -0.438 . . . . 0.0 113.07 173.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.18 142.8 7.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.049 0.452 . . . . 0.0 110.802 176.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -111.65 87.82 2.65 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 170.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.5 mt -73.88 123.61 29.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.085 -171.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.64 HD13 HG23 ' A' ' 6' ' ' VAL . 4.1 mm? -68.47 109.72 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 174.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.8 p -131.25 157.04 44.31 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.31 -170.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 1.042 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 20.9 t70 -68.41 109.67 3.78 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 164.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.32 95.36 0.51 Allowed Glycine 0 N--CA 1.467 0.713 0 C-N-CA 121.027 -0.606 . . . . 0.0 113.2 -163.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' N ' ' HD3' ' A' ' 21' ' ' PRO . 7.5 mttp 157.86 65.62 0.0 OUTLIER Pre-proline 0 C--O 1.233 0.185 0 O-C-N 124.252 0.619 . . . . 0.0 112.154 -160.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 20' ' ' LYS . 6.4 Cg_endo -86.92 154.92 8.56 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.668 2.245 . . . . 0.0 111.549 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.08 110.93 18.23 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.071 0.462 . . . . 0.0 110.364 178.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.535 HG12 HG22 ' A' ' 30' ' ' VAL . 46.1 mt -88.41 100.61 10.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.132 177.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -70.12 125.16 25.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.004 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -73.69 -28.95 62.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.58 -169.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -72.42 -55.05 7.68 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.484 -175.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.6 t -84.94 -23.32 28.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.58 0.228 . . . . 0.0 111.377 -178.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.19 40.97 27.81 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.723 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 23' ' ' ILE . 79.1 mt -115.44 152.39 32.99 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.672 0.272 . . . . 0.0 110.459 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.535 HG22 HG12 ' A' ' 23' ' ' ILE . 47.8 t -106.23 102.06 13.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.052 178.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.613 ' HA ' ' O ' ' A' ' 40' ' ' MET . 15.9 m -87.23 106.84 18.18 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.631 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.441 ' CE1' ' HB2' ' A' ' 40' ' ' MET . 32.6 p90 -109.51 167.72 9.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.799 0.333 . . . . 0.0 110.702 -179.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 1.042 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 27.4 m170 -105.82 134.84 48.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.24 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.539 ' HB2' ' H ' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -64.28 158.67 22.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.377 178.15 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -62.94 -28.54 70.14 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 169.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -76.34 -23.28 54.2 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.86 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.62 21.72 7.4 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.897 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.539 ' H ' ' HB2' ' A' ' 34' ' ' ASP . 18.0 m-80 -96.76 -172.61 2.52 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -140.14 128.7 22.9 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.485 -0.191 . . . . 0.0 110.485 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.613 ' O ' ' HA ' ' A' ' 31' ' ' SER . 39.9 mtt -122.24 159.58 27.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.373 178.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.416 ' HG2' ' OG ' ' A' ' 31' ' ' SER . 49.0 mt-30 -116.51 108.19 15.69 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 176.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.598 HD11 ' HB ' ' A' ' 47' ' ' VAL . 6.9 pt -101.15 -179.96 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.847 0.356 . . . . 0.0 110.499 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -78.75 141.33 37.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.514 ' O ' HG12 ' A' ' 47' ' ' VAL . 35.3 ttp180 -58.91 -40.95 86.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.064 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.92 -19.25 60.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.642 -177.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.861 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 37.2 t70 -84.77 -32.79 23.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.443 -174.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.598 ' HB ' HD11 ' A' ' 42' ' ' ILE . 11.1 p -65.48 143.15 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 176.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.1 t -118.97 -68.52 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.581 -174.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.766 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 53.8 mt-30 -130.02 149.24 51.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 111.333 -176.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.0 mm . . . . . 0 C--N 1.324 -0.514 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 172.461 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 83.4 t . . . . . 0 N--CA 1.468 0.431 0 CA-C-O 121.521 0.677 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.3 ttp -122.16 109.88 15.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.444 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 48' ' ' SER . . . -87.03 125.48 34.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.945 176.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 p -119.25 -177.49 3.36 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -173.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -28.12 -59.81 0.11 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.148 1.379 . . . . 0.0 114.336 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.571 ' HB2' ' HD2' ' A' ' 13' ' ' ARG . 31.1 m-20 -76.24 5.84 6.35 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -170.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.29 29.4 70.27 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -175.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.571 ' HD2' ' HB2' ' A' ' 11' ' ' ASP . 10.8 ptm180 -96.34 129.72 43.61 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -177.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 86.4 mmm -87.31 95.7 10.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.831 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.0 mt -79.91 111.33 16.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.918 0.39 . . . . 0.0 110.105 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.8 mt -77.6 94.76 4.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.471 0.653 . . . . 0.0 110.508 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.4 p -97.29 160.25 14.44 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.602 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -60.81 -40.7 93.71 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 169.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.81 170.88 12.65 Favored Glycine 0 CA--C 1.501 -0.793 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.488 166.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.5 mttt 67.78 75.1 0.3 Allowed Pre-proline 0 C--O 1.235 0.34 0 C-N-CA 118.594 -1.242 . . . . 0.0 113.164 162.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.41 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 89.1 Cg_endo -82.98 145.93 12.65 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.542 2.161 . . . . 0.0 112.373 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.487 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 26.5 tt0 -99.86 111.37 23.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.444 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mt -82.46 102.75 8.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -70.12 143.58 52.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.805 -175.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -90.06 -23.53 21.41 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.236 -178.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -70.55 -64.16 0.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.079 -177.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.683 HG23 ' HG ' ' A' ' 29' ' ' LEU . 5.9 t -108.51 -3.98 17.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.945 0.402 . . . . 0.0 111.31 -176.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.57 28.94 62.4 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.171 174.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.683 ' HG ' HG23 ' A' ' 27' ' ' THR . 55.3 mt -99.38 141.67 31.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.795 0.331 . . . . 0.0 110.215 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 47.9 t -93.01 100.41 11.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.495 -178.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.49 ' HA ' ' HG3' ' A' ' 41' ' ' GLN . 3.5 m -75.53 115.14 14.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.369 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.572 ' CE1' HG23 ' A' ' 42' ' ' ILE . 42.0 p90 -121.43 173.39 7.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.014 0.435 . . . . 0.0 110.876 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -127.11 111.76 14.39 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.814 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.753 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 45.7 m-20 -62.34 152.27 34.38 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 173.144 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -62.63 -18.74 62.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.282 0.563 . . . . 0.0 110.129 173.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -84.97 0.88 49.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.956 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.85 11.93 58.45 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.891 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.753 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 90.6 m-20 -81.84 113.23 19.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.763 0.316 . . . . 0.0 111.191 -177.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -96.47 107.13 19.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.103 175.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.6 ptt? -156.29 179.7 8.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.464 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.49 ' HG3' ' HA ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -126.36 159.44 33.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.851 0.358 . . . . 0.0 111.792 -170.384 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.611 HD11 HG22 ' A' ' 47' ' ' VAL . 7.3 pt -121.36 -179.87 2.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 165.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.522 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 61.3 t30 -88.58 143.19 27.11 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 110.53 -0.174 . . . . 0.0 110.53 178.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -66.98 -17.89 65.13 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.07 0.462 . . . . 0.0 111.182 -178.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.483 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 31.5 t70 -82.24 -17.86 44.53 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.086 0.47 . . . . 0.0 110.412 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.522 ' OD1' ' HB3' ' A' ' 43' ' ' ASN . 6.1 m-20 -99.79 9.92 42.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.44 -175.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.611 HG22 HD11 ' A' ' 42' ' ' ILE . 13.1 t -85.94 128.22 39.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.065 178.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 8' ' ' ALA . 41.2 t -91.11 -68.88 0.76 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 178.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -179.49 147.85 0.32 Allowed 'General case' 0 C--O 1.232 0.142 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.7 mm . . . . . 0 C--N 1.325 -0.486 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 174.395 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.473 0.717 0 CA-C-O 121.243 0.544 . . . . 0.0 111.52 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.9 ttp -132.75 131.3 41.03 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.048 -0.408 . . . . 0.0 111.135 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.13 119.95 41.07 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.959 176.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 46' ' ' ASP . 34.8 p -94.34 -179.66 4.99 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.764 -176.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -48.65 -48.76 39.44 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.827 0.851 . . . . 0.0 112.443 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -66.93 -21.61 65.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.746 -173.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.22 8.38 44.4 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.971 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -84.65 141.86 30.32 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 86.1 mtp -102.62 112.82 25.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.983 0.421 . . . . 0.0 110.236 -177.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.0 mt -89.28 131.85 35.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.067 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.95 83.99 6.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.56 0.695 . . . . 0.0 110.48 -176.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.577 HG22 ' CD2' ' A' ' 32' ' ' TYR . 29.6 p -81.63 156.2 25.25 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.611 -177.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.48 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 11.4 t70 -78.35 -24.48 46.44 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 165.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.66 -165.87 22.04 Favored Glycine 0 CA--C 1.499 -0.953 0 CA-C-N 113.385 -1.734 . . . . 0.0 109.016 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 20' ' ' LYS . 3.3 mptp? 69.46 73.49 0.3 Allowed Pre-proline 0 CA--C 1.531 0.226 0 CA-C-N 118.448 1.124 . . . . 0.0 112.896 162.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -87.47 93.63 0.47 Allowed 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.338 2.025 . . . . 0.0 111.859 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.474 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 29.3 tt0 -81.57 95.59 7.19 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.056 -178.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.465 HG12 HG22 ' A' ' 30' ' ' VAL . 28.5 mt -69.81 103.26 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -70.0 123.14 20.78 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.368 -175.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -76.98 -23.83 52.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.069 -173.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -79.4 -56.8 4.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.084 -178.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.2 p -83.31 -30.03 27.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 -176.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.488 ' O ' ' HB2' ' A' ' 44' ' ' ARG . . . 90.11 5.19 70.74 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.787 -177.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.611 ' HG ' ' HA ' ' A' ' 43' ' ' ASN . 10.8 mp -100.73 152.52 20.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.884 0.373 . . . . 0.0 111.024 -178.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 96.2 t -91.52 111.17 23.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.659 -178.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.474 ' HB2' ' HB3' ' A' ' 22' ' ' GLU . 4.8 m -84.7 106.97 16.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.799 177.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.577 ' CD2' HG22 ' A' ' 17' ' ' THR . 23.1 p90 -118.54 166.06 13.17 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.68 -175.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.48 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 29.6 m170 -107.78 133.67 51.84 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.79 175.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.532 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 5.1 m-20 -80.82 145.33 31.47 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 169.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -75.06 -8.75 57.42 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 172.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.488 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 7.5 tt0 -68.32 -26.3 65.55 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.361 170.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.08 21.85 5.47 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.003 -0.617 . . . . 0.0 112.697 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.532 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 88.5 m-20 -110.03 163.2 13.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.961 0.41 . . . . 0.0 111.265 -177.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -140.38 119.97 13.25 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 173.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.2 ptp -153.65 169.2 23.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.65 0.262 . . . . 0.0 110.62 -175.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.534 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . 21.2 mt-30 -112.99 126.97 56.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.047 -176.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.689 HD11 ' HB ' ' A' ' 47' ' ' VAL . 3.5 pt -102.85 166.36 2.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 172.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.611 ' HA ' ' HG ' ' A' ' 29' ' ' LEU . 62.0 t30 -76.58 152.88 35.78 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 120.822 0.344 . . . . 0.0 111.666 -174.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 9.0 tpt180 -60.9 -36.14 78.47 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 121.26 0.552 . . . . 0.0 110.133 177.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -80.2 -9.73 59.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.446 ' O ' ' HB ' ' A' ' 9' ' ' THR . 33.6 t70 -90.06 -36.15 15.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.632 -176.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.689 ' HB ' HD11 ' A' ' 42' ' ' ILE . 13.2 p -72.64 144.26 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.83 -0.434 . . . . 0.0 109.83 176.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.1 t -130.8 -65.49 0.79 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.408 -176.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -135.45 141.64 45.42 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -171.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 50.7 mm . . . . . 0 C--N 1.323 -0.553 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 169.431 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 59.9 ttp -144.96 116.2 7.96 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.06 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.702 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . . . -91.02 122.05 33.35 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.509 ' HB ' ' O ' ' A' ' 46' ' ' ASP . 62.2 p -92.25 -177.63 4.71 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.932 0.396 . . . . 0.0 111.837 -176.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.448 ' HB3' ' NZ ' ' A' ' 10' ' ' LYS . 6.1 ttpm? -41.6 -46.39 3.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.832 -1.076 . . . . 0.0 112.276 -178.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.47 4.1 22.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.846 -170.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.75 2.75 90.64 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.448 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -83.59 136.87 34.08 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 67.0 mtt -92.06 118.94 31.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.489 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.4 mm -84.93 129.62 37.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.43 65.46 5.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.382 0.61 . . . . 0.0 110.634 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.498 ' HA ' ' O ' ' A' ' 33' ' ' HIS . 35.1 p -73.62 134.77 43.74 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.75 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -56.99 -38.26 72.79 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 172.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.96 175.45 23.66 Favored Glycine 0 CA--C 1.499 -0.926 0 CA-C-O 118.958 -0.912 . . . . 0.0 111.532 164.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HE2' ' HB3' ' A' ' 20' ' ' LYS . 31.0 mtpt 71.94 71.52 0.28 Allowed Pre-proline 0 N--CA 1.454 -0.27 0 C-N-CA 118.697 -1.201 . . . . 0.0 113.249 164.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -82.16 105.52 1.48 Allowed 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 122.364 2.043 . . . . 0.0 111.389 176.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -82.93 108.87 16.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.573 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.55 HG12 HG22 ' A' ' 30' ' ' VAL . 52.3 mt -78.89 116.88 23.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.704 -178.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -71.01 94.92 1.13 Allowed 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 174.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -66.44 -19.28 65.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.313 -172.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.22 -48.04 83.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.468 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.716 HG23 ' HG ' ' A' ' 29' ' ' LEU . 9.1 t -116.14 -26.27 7.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.737 -175.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.24 34.21 4.6 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.5 -177.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.716 ' HG ' HG23 ' A' ' 27' ' ' THR . 63.0 mt -101.01 161.19 13.77 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 175.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.55 HG22 HG12 ' A' ' 23' ' ' ILE . 60.1 t -121.5 110.35 27.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.021 0.438 . . . . 0.0 110.61 178.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' A' ' 40' ' ' MET . 66.9 m -78.04 101.89 7.16 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.2 177.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -116.69 153.89 31.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 -176.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.571 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 32.5 m170 -109.05 123.15 48.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.683 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.66 163.95 13.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.701 174.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -74.46 58.79 0.78 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.904 0.859 . . . . 0.0 110.99 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.53 ' HB3' ' HB2' ' A' ' 38' ' ' ASN . 22.0 tp60 -150.15 7.39 0.61 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.749 -1.114 . . . . 0.0 108.823 176.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.66 43.8 91.14 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 109.028 -1.629 . . . . 0.0 109.028 -167.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.571 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 9.4 t-20 -111.63 114.3 27.25 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.804 -0.698 . . . . 0.0 110.64 -167.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.94 107.73 18.66 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.485 ' O ' ' HA ' ' A' ' 31' ' ' SER . 68.1 mtm -127.02 161.79 27.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.617 -177.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -120.1 111.71 18.2 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.432 HG23 ' HB ' ' A' ' 30' ' ' VAL . 7.9 tp -105.64 141.1 21.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.577 -177.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -62.54 146.21 52.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.044 0.45 . . . . 0.0 111.618 -176.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -59.47 -25.81 64.71 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.09 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -83.77 -9.27 58.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.886 0.375 . . . . 0.0 111.029 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.509 ' O ' ' HB ' ' A' ' 9' ' ' THR . 11.5 m-20 -97.79 -22.79 16.2 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.863 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.2 m -85.11 163.14 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 171.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.6 t -151.45 -78.94 0.12 Allowed 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.226 -0.59 . . . . 0.0 112.056 -176.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.702 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 10.2 mm100 -103.23 116.8 33.16 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.029 0.442 . . . . 0.0 112.165 -167.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.9 mt . . . . . 0 CA--C 1.536 0.44 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.47 176.899 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 121.042 0.449 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.3 ttp -130.8 127.97 39.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.326 -174.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.465 ' HB2' ' SD ' ' A' ' 14' ' ' MET . . . -98.08 127.82 44.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.982 176.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.9 p -113.09 -176.69 2.95 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.85 -176.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.541 ' HB3' ' NZ ' ' A' ' 10' ' ' LYS . 5.6 ttpm? -29.14 -55.02 0.13 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.85 1.26 . . . . 0.0 112.994 174.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.422 ' HB2' ' HG2' ' A' ' 13' ' ' ARG . 2.1 m-20 -68.9 -7.79 38.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.389 -171.05 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.16 16.25 80.69 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -174.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.425 ' O ' ' HA ' ' A' ' 8' ' ' ALA . 9.0 ptp180 -88.26 142.8 27.45 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.465 ' SD ' ' HB2' ' A' ' 8' ' ' ALA . 26.4 mmt -97.4 103.27 15.19 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.493 178.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mt -83.67 111.96 20.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.82 77.69 1.6 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.95 177.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.501 HG22 ' HD2' ' A' ' 32' ' ' TYR . 71.8 p -69.31 155.85 39.75 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.644 -178.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.52 -35.08 79.37 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 171.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.89 169.53 15.12 Favored Glycine 0 CA--C 1.505 -0.583 0 CA-C-N 114.432 -1.258 . . . . 0.0 110.621 168.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.5 mttt 73.76 90.39 0.07 OUTLIER Pre-proline 0 C--N 1.347 0.48 0 CA-C-N 118.573 1.187 . . . . 0.0 114.005 163.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -90.34 108.61 0.36 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.751 2.301 . . . . 0.0 111.852 173.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -91.7 104.22 16.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.0 mt -75.89 113.45 14.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.752 -177.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -82.01 106.72 14.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.693 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -66.18 -22.68 66.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.262 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.36 -68.37 0.28 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.415 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.465 HG23 ' HG ' ' A' ' 29' ' ' LEU . 3.7 t -96.39 -9.48 29.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.983 -172.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.18 37.53 32.03 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.033 -1.08 . . . . 0.0 110.955 -177.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.465 ' HG ' HG23 ' A' ' 27' ' ' THR . 41.9 mt -121.9 177.45 5.29 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.601 HG23 ' HA ' ' A' ' 44' ' ' ARG . 70.3 t -128.62 114.98 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.551 0.215 . . . . 0.0 110.772 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.9 m -80.32 99.87 8.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.197 175.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.501 ' HD2' HG22 ' A' ' 17' ' ' THR . 8.6 p90 -101.81 177.17 4.98 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.607 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 68.7 m80 -117.95 122.5 43.43 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 178.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.636 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -54.85 175.49 0.06 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 177.442 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -62.42 -30.62 71.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.515 -1.221 . . . . 0.0 108.681 169.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.538 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 59.5 mm-40 -84.13 -13.72 52.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.87 178.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.37 0.53 47.11 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.882 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.636 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 84.1 m-20 -56.86 129.59 42.1 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 122.393 0.277 . . . . 0.0 111.635 -178.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.48 100.96 11.08 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 171.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 37.5 mtp -128.5 146.65 50.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.267 -173.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.485 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 24.2 mt-30 -101.81 124.09 46.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.225 -175.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.608 HD11 HG22 ' A' ' 47' ' ' VAL . 13.2 pt -107.39 178.33 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 171.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.984 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 9.7 t30 -75.64 128.31 34.96 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 110.197 -0.298 . . . . 0.0 110.197 -178.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.601 ' HA ' HG23 ' A' ' 30' ' ' VAL . 49.8 ttp180 -54.18 -43.52 70.77 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.206 0.527 . . . . 0.0 111.402 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -86.41 7.63 24.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.925 -176.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.984 ' HB2' ' HB3' ' A' ' 43' ' ' ASN . 8.0 t70 -95.39 -19.72 19.69 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.608 HG22 HD11 ' A' ' 42' ' ' ILE . 3.8 t -68.31 107.54 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.453 177.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.7 t -86.21 -48.81 8.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.529 -172.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -164.12 137.94 5.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 110.882 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 C--N 1.318 -0.798 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 170.842 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.488 ' SD ' HG23 ' A' ' 47' ' ' VAL . 16.3 tmm? -96.93 117.16 30.51 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' ' 48' ' ' SER . . . -91.9 126.79 37.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.006 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.0 p -95.49 165.41 12.36 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.061 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.406 ' HE2' ' O ' ' A' ' 45' ' ' ASP . 37.3 ttpt -78.47 -18.39 54.92 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 172.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -63.13 -42.69 99.54 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.354 174.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.33 -23.5 5.75 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.733 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -70.22 143.45 52.18 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.098 0.475 . . . . 0.0 111.277 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.5 mmt -110.26 119.47 39.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.727 178.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.448 HG21 ' CE2' ' A' ' 32' ' ' TYR . 72.8 mt -108.99 126.21 66.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.887 -178.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.28 137.09 52.75 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.652 ' HB ' ' H ' ' A' ' 19' ' ' GLY . 13.3 p -141.18 169.39 17.7 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.373 -176.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -90.26 -4.9 56.89 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 164.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.652 ' H ' ' HB ' ' A' ' 17' ' ' THR . . . 108.38 -169.85 14.54 Favored Glycine 0 CA--C 1.501 -0.785 0 CA-C-N 113.829 -1.532 . . . . 0.0 110.915 172.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.0 mttt 71.15 72.3 0.28 Allowed Pre-proline 0 C--O 1.234 0.25 0 C-N-CA 119.093 -1.043 . . . . 0.0 113.162 162.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -77.86 105.2 1.98 Allowed 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.664 2.243 . . . . 0.0 111.514 175.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.551 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 34.1 tt0 -81.63 105.32 12.69 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.6 mt -79.41 107.66 12.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.043 0.449 . . . . 0.0 110.68 -176.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -79.91 134.53 36.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.388 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -108.0 9.5 28.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.382 0.611 . . . . 0.0 110.869 -178.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -87.77 -44.6 11.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.011 178.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.554 HG23 ' HG ' ' A' ' 29' ' ' LEU . 5.3 t -112.83 -19.08 12.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.437 173.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.3 35.32 12.34 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.055 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.554 ' HG ' HG23 ' A' ' 27' ' ' THR . 43.7 mt -113.0 155.8 24.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.971 0.415 . . . . 0.0 110.218 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.84 112.55 36.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.646 -177.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.551 ' HB2' ' HB3' ' A' ' 22' ' ' GLU . 15.5 m -83.02 111.68 19.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.093 0.473 . . . . 0.0 110.742 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.652 ' CE1' HG23 ' A' ' 42' ' ' ILE . 3.2 p90 -111.09 149.1 31.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.777 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -102.82 123.7 46.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.809 -175.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.718 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -61.36 160.45 10.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.289 -179.02 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -74.27 -14.89 60.98 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 168.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.567 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 82.8 mt-30 -85.22 -6.09 59.29 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.461 176.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.28 35.08 12.67 Favored Glycine 0 C--O 1.229 -0.204 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.01 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.718 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 84.9 m-20 -107.95 161.84 14.57 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -121.73 107.49 12.41 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.938 0.399 . . . . 0.0 110.01 174.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.432 ' O ' ' HA ' ' A' ' 31' ' ' SER . 76.3 mtm -121.82 170.97 9.24 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.892 -178.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.412 HE21 ' HB2' ' A' ' 29' ' ' LEU . 25.9 mt-30 -131.93 129.46 40.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.692 0.282 . . . . 0.0 111.359 -175.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.893 HD11 ' HB ' ' A' ' 47' ' ' VAL . 10.8 pt -108.4 -177.89 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.419 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 55.1 t30 -84.42 148.95 26.31 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.731 0.301 . . . . 0.0 110.875 -179.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.547 ' O ' HG12 ' A' ' 47' ' ' VAL . 27.3 ttp85 -62.91 -42.13 99.68 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -175.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.406 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 3.9 p-10 -89.45 3.93 50.75 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.761 -178.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.419 ' HB2' ' HB3' ' A' ' 43' ' ' ASN . 38.8 t70 -88.28 -34.79 17.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.16 0.505 . . . . 0.0 109.696 176.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.893 ' HB ' HD11 ' A' ' 42' ' ' ILE . 11.5 p -72.4 147.29 10.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.285 178.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' ' 8' ' ' ALA . 30.3 t -117.57 -76.73 0.57 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 177.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -146.23 152.87 39.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.666 0.27 . . . . 0.0 110.64 -177.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.494 ' H ' HD12 ' A' ' 50' ' ' ILE . 4.2 mp . . . . . 0 C--N 1.325 -0.478 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 174.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.448 -0.526 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -136.78 116.59 13.11 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.739 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . . . -104.49 124.17 48.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.083 179.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.5 p -82.75 172.31 13.02 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.417 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -75.03 -0.07 17.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.361 0.601 . . . . 0.0 110.495 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -73.85 -36.91 64.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.708 173.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.72 -3.64 21.31 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.774 -175.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -86.27 137.8 32.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.944 0.402 . . . . 0.0 110.287 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 50.9 ttm -102.65 105.81 16.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.138 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.7 mt -97.41 137.24 25.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.936 -175.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -85.39 118.81 25.15 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 175.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.414 HG22 ' HD2' ' A' ' 32' ' ' TYR . 13.9 p -121.46 143.77 49.06 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.115 -172.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.939 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 25.2 t70 -64.19 111.04 2.4 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 161.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.614 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -62.58 156.13 39.76 Favored Glycine 0 CA--C 1.496 -1.125 0 CA-C-O 118.517 -1.157 . . . . 0.0 112.325 -163.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.614 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 58.9 mttp 82.61 70.3 0.11 Allowed Pre-proline 0 C--N 1.351 0.662 0 C-N-CA 119.078 -1.049 . . . . 0.0 110.804 178.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -88.38 162.14 6.81 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.795 2.33 . . . . 0.0 112.778 -176.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.548 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 13.3 mm-40 -100.35 97.22 8.0 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.627 -178.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.61 HG12 HG13 ' A' ' 30' ' ' VAL . 5.9 mt -85.41 97.92 6.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.497 -0.481 . . . . 0.0 109.751 174.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.585 ' OD1' HG22 ' A' ' 27' ' ' THR . 15.7 t70 -83.86 98.62 9.85 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 174.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -75.44 -10.96 59.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.244 0.545 . . . . 0.0 109.903 -174.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.473 ' HB3' ' OD1' ' A' ' 24' ' ' ASP . 15.9 t70 -67.21 -51.62 51.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.406 178.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.585 HG22 ' OD1' ' A' ' 24' ' ' ASP . 8.8 t -87.94 -23.22 23.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.935 0.398 . . . . 0.0 110.272 174.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.3 24.07 38.19 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 121.026 -0.606 . . . . 0.0 111.952 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.403 ' H ' HG23 ' A' ' 27' ' ' THR . 26.3 mt -116.61 142.98 46.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.952 0.406 . . . . 0.0 110.344 -177.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.61 HG13 HG12 ' A' ' 23' ' ' ILE . 61.9 t -108.88 107.21 22.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.776 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.548 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . 15.1 m -82.01 119.66 24.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.11 179.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.559 ' CE1' HG23 ' A' ' 42' ' ' ILE . 6.6 p90 -129.43 154.36 47.03 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.981 -178.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.939 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 73.5 m80 -104.74 136.92 43.36 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.904 0.383 . . . . 0.0 110.497 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.724 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.9 OUTLIER -68.18 165.56 18.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.61 176.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.534 ' OE1' ' HA ' ' A' ' 35' ' ' GLN . 5.9 tp60 -74.51 -14.34 60.8 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 172.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.518 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 6.4 tp-100 -83.85 -20.03 33.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.304 176.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.86 8.44 27.95 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.66 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.724 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 87.4 m-20 -75.06 152.48 38.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.702 0.287 . . . . 0.0 110.766 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.8 101.18 8.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.976 0.417 . . . . 0.0 110.036 176.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 70.6 mtm -123.29 174.27 7.41 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.586 -175.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 45.9 mt-30 -138.54 129.32 26.54 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.674 -176.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.608 HD11 HG22 ' A' ' 47' ' ' VAL . 13.0 pt -109.33 -178.24 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 172.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.588 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 49.9 t30 -91.05 149.25 21.9 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.847 0.356 . . . . 0.0 110.806 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 -53.2 -51.7 61.24 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 123.803 0.841 . . . . 0.0 113.203 -175.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -84.55 5.54 27.28 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -173.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.588 ' OD1' ' HB3' ' A' ' 43' ' ' ASN . 3.3 m-20 -87.58 -18.82 28.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.083 0.468 . . . . 0.0 110.11 174.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.608 HG22 HD11 ' A' ' 42' ' ' ILE . 3.4 t -72.09 146.35 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.662 178.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.2 t -146.44 -75.15 0.21 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.377 -0.529 . . . . 0.0 112.216 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.739 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 47.5 mt-30 -102.63 108.14 19.3 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 -168.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.9 pt . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.595 174.884 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 N--CA 1.465 0.303 0 CA-C-O 121.283 0.563 . . . . 0.0 111.841 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 59.8 ttp -99.21 106.85 19.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.471 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.77 110.91 22.52 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.472 175.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.9 p -88.06 164.9 15.52 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 121.251 0.548 . . . . 0.0 111.105 -177.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.657 ' HB2' ' HB2' ' A' ' 48' ' ' SER . 30.5 ttpt -82.89 -0.47 48.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.864 -174.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.54 ' OD1' ' HG2' ' A' ' 13' ' ' ARG . 1.8 p30 -88.07 -16.74 32.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.982 0.42 . . . . 0.0 110.028 175.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.62 -27.55 6.83 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.665 -0.779 . . . . 0.0 113.257 176.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.54 ' HG2' ' OD1' ' A' ' 11' ' ' ASP . 11.7 ptm180 -74.54 149.02 40.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.17 0.51 . . . . 0.0 111.067 -178.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 50.8 ttm -121.97 114.33 20.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.766 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.9 mt -102.25 134.83 41.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.949 -174.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -77.87 86.53 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.153 0.501 . . . . 0.0 110.735 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.9 p -101.99 126.56 48.94 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.262 174.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.53 -30.28 71.18 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.761 176.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.07 -179.74 30.05 Favored Glycine 0 CA--C 1.501 -0.811 0 C-N-CA 120.34 -0.933 . . . . 0.0 112.303 163.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 79.2 mttt 73.19 73.2 0.23 Allowed Pre-proline 0 N--CA 1.45 -0.433 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 165.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -94.43 116.59 0.24 Allowed 'Trans proline' 0 N--CA 1.443 -1.494 0 C-N-CA 123.508 2.806 . . . . 0.0 110.934 172.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.68 102.44 9.88 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -178.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.4 mt -70.77 107.22 2.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.029 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -73.17 128.56 35.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.059 -177.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.649 ' HA ' ' NH2' ' A' ' 44' ' ' ARG . 4.6 p30 -102.49 8.54 39.95 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -177.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -104.99 -47.35 4.03 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-O 122.415 1.102 . . . . 0.0 108.802 175.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.19 -12.28 24.88 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 113.128 -1.851 . . . . 0.0 112.218 -165.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.17 20.96 78.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.419 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.3 mt -117.6 176.97 4.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.646 -0.277 . . . . 0.0 110.633 -176.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.585 HG21 HG21 ' A' ' 47' ' ' VAL . 39.3 t -135.03 115.92 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.403 178.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 40' ' ' MET . 5.9 m -79.92 101.57 8.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.965 -178.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.476 ' HD1' ' H ' ' A' ' 32' ' ' TYR . 1.1 p90 -105.77 169.09 8.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.948 0.404 . . . . 0.0 110.215 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -115.55 117.21 29.69 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.015 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.588 ' HB3' ' H ' ' A' ' 36' ' ' GLN . 54.6 m-20 -62.65 158.49 18.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.938 177.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -76.41 -8.52 57.31 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 168.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.588 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 26.2 tp60 -85.91 -10.96 54.37 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.354 177.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.16 30.75 9.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 113.33 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.534 ' H ' ' HB2' ' A' ' 34' ' ' ASP . 55.4 m-80 -118.5 146.17 44.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 117.088 0.444 . . . . 0.0 110.757 176.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.25 102.79 12.18 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.468 ' O ' ' HA ' ' A' ' 31' ' ' SER . 62.5 mtm -124.46 169.91 11.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.264 -175.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.498 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 35.8 mt-30 -122.8 115.74 22.53 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.397 -175.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.53 HD11 HG22 ' A' ' 47' ' ' VAL . 8.3 pt -94.59 177.23 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 175.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.629 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 11.7 t30 -76.33 134.73 39.63 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.675 0.274 . . . . 0.0 110.285 -178.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.649 ' NH2' ' HA ' ' A' ' 25' ' ' ASP . 29.7 ttm180 -57.7 -36.67 72.29 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -174.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -70.53 -7.1 41.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.817 -172.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.629 ' OD1' ' HB3' ' A' ' 43' ' ' ASN . 9.3 m-20 -90.84 -33.53 15.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.606 0.241 . . . . 0.0 111.184 -178.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.585 HG21 HG21 ' A' ' 30' ' ' VAL . 15.8 t -66.43 121.56 15.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.159 -176.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.657 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . 33.0 t -125.01 -70.13 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.776 -174.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -120.23 116.14 25.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.794 0.331 . . . . 0.0 111.495 -173.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.3 mm . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.429 178.438 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.1 ttp -130.89 104.74 7.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.974 0.416 . . . . 0.0 109.948 -178.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.831 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . . . -87.56 141.02 28.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.234 -179.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.589 HG22 ' HA ' ' A' ' 47' ' ' VAL . 20.6 p -104.38 169.57 8.4 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.405 -176.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.55 ' HB2' ' HB2' ' A' ' 48' ' ' SER . 32.3 ttpt -80.92 -7.88 59.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.363 0.601 . . . . 0.0 110.142 -177.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -101.02 7.52 43.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.628 175.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.84 26.1 54.4 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.799 -0.637 . . . . 0.0 113.536 174.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -98.52 130.31 45.1 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 176.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -96.42 94.83 7.64 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.767 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.8 mt -92.83 134.32 31.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.58 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -89.72 142.06 28.04 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' A' ' 33' ' ' HIS . 17.6 p -135.82 176.01 9.07 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.884 -177.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -102.28 18.2 21.54 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 106.865 -1.532 . . . . 0.0 106.865 165.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.99 -159.48 37.71 Favored Glycine 0 CA--C 1.503 -0.706 0 CA-C-N 112.811 -1.995 . . . . 0.0 109.85 -173.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.0 mttm 65.74 51.0 0.79 Allowed Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 155.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.491 ' HG3' HD13 ' A' ' 50' ' ' ILE . 89.3 Cg_endo -81.05 140.4 12.49 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.845 1.696 . . . . 0.0 112.349 -178.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -106.05 112.32 25.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.21 177.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.581 HG12 HG22 ' A' ' 30' ' ' VAL . 52.9 mt -91.71 109.73 21.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 CA-C-O 121.255 0.55 . . . . 0.0 109.947 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -74.81 95.12 2.86 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.281 178.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -78.89 -1.94 37.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.445 -170.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -71.63 -32.1 67.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.002 0.43 . . . . 0.0 110.394 174.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.614 HG23 ' HG ' ' A' ' 29' ' ' LEU . 2.8 t -127.49 -32.03 2.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.544 -176.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . 104.5 36.2 3.12 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.415 -0.898 . . . . 0.0 111.739 -175.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.614 ' HG ' HG23 ' A' ' 27' ' ' THR . 80.3 mt -104.8 167.73 9.53 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 176.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.581 HG22 HG12 ' A' ' 23' ' ' ILE . 77.9 t -135.5 116.86 19.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.813 0.339 . . . . 0.0 110.394 -178.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.01 119.47 32.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.388 177.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.508 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 7.1 p90 -135.31 171.63 14.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.543 -176.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.535 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 37.4 m80 -114.79 140.29 49.03 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 175.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.88 -174.81 4.64 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.118 169.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -70.83 2.31 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.678 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -98.83 -2.56 37.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.011 0.434 . . . . 0.0 110.21 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.65 16.45 80.64 Favored Glycine 0 C--N 1.331 0.269 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -175.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.535 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 12.7 p-10 -94.41 133.22 38.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.909 -0.646 . . . . 0.0 110.608 -177.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.508 ' HA ' ' O ' ' A' ' 32' ' ' TYR . . . -96.12 116.98 29.81 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.198 -177.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.3 mtm -121.4 169.44 10.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.08 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.453 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 38.7 tt0 -129.77 128.41 42.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.961 0.41 . . . . 0.0 110.724 -173.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.625 HD11 ' HB3' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -134.35 140.9 44.99 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.48 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.534 -175.731 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.427 ' OD1' ' HB2' ' A' ' 45' ' ' ASP . 26.5 t-20 -66.02 136.81 56.55 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 122.384 -0.197 . . . . 0.0 111.283 -177.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -66.61 -8.99 30.98 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -170.871 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.427 ' HB2' ' OD1' ' A' ' 43' ' ' ASN . 0.9 OUTLIER -79.65 -11.11 59.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.967 0.413 . . . . 0.0 110.699 176.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.625 ' HB3' HD11 ' A' ' 42' ' ' ILE . 13.4 t70 -86.65 -45.95 10.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.996 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.589 ' HA ' HG22 ' A' ' 9' ' ' THR . 6.8 m -70.46 163.86 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-O 120.936 0.398 . . . . 0.0 111.319 178.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.55 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . 36.2 t -157.55 -69.83 0.1 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.041 -179.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.831 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 26.2 mt-30 -93.82 98.47 11.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.254 0.549 . . . . 0.0 111.621 -174.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.491 HD13 ' HG3' ' A' ' 21' ' ' PRO . 13.7 tt . . . . . 0 C--N 1.32 -0.697 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.794 171.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.738 0.304 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -118.75 12.68 13.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.425 -169.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.47 134.46 62.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.173 0.511 . . . . 0.0 111.329 177.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.493 ' HG3' HD11 ' A' ' 50' ' ' ILE . 56.1 ttp -113.03 101.14 9.18 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.368 179.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.618 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . . . -80.28 122.64 27.14 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 173.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.4 p -104.04 -179.66 4.01 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -171.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.68 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 33.7 ttpt -48.9 -43.09 38.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.507 -1.224 . . . . 0.0 112.161 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -78.0 -2.61 37.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.579 -175.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.28 -7.27 82.08 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.597 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 13' ' ' ARG . 7.5 ptp85 -74.45 134.52 42.33 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.087 0.47 . . . . 0.0 110.455 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.5 ttm -91.71 114.85 27.49 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.097 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.7 mt -95.89 125.95 48.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.516 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 16' ' ' LEU . 2.9 mm? -75.28 111.28 10.37 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 176.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.522 ' HB ' ' H ' ' A' ' 19' ' ' GLY . 3.7 p -110.95 156.66 20.89 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.365 -176.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.926 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 7.5 t70 -65.2 -22.37 66.89 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 164.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.522 ' H ' ' HB ' ' A' ' 17' ' ' THR . . . 93.96 -170.14 30.22 Favored Glycine 0 CA--C 1.496 -1.127 0 CA-C-N 113.438 -1.71 . . . . 0.0 110.956 171.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp 65.86 55.03 1.04 Allowed Pre-proline 0 CA--C 1.534 0.339 0 C-N-CA 118.751 -1.18 . . . . 0.0 111.82 160.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -85.55 149.63 10.1 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.531 2.154 . . . . 0.0 113.808 -170.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -109.36 117.7 34.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.432 177.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.533 HG12 HG22 ' A' ' 30' ' ' VAL . 50.5 mt -95.65 130.47 44.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.804 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -82.85 96.36 8.22 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 169.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -77.58 2.35 16.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.632 -170.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -87.11 -12.89 45.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.983 0.421 . . . . 0.0 110.266 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.547 HG23 ' HG ' ' A' ' 29' ' ' LEU . 6.4 t -137.74 -35.52 0.65 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.204 178.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.432 ' O ' ' HG2' ' A' ' 44' ' ' ARG . . . 105.14 32.49 4.01 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.573 -179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.547 ' HG ' HG23 ' A' ' 27' ' ' THR . 52.2 mt -103.23 132.59 49.37 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 177.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.6 HG21 HG21 ' A' ' 47' ' ' VAL . 46.8 t -107.08 110.87 33.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.277 -174.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.4 m -84.52 105.17 15.13 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.475 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.475 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 16.3 p90 -110.47 175.56 5.38 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.926 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 24.9 m170 -120.59 117.58 27.96 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.509 ' HB3' ' OE1' ' A' ' 36' ' ' GLN . 0.2 OUTLIER -74.36 175.83 7.3 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.178 0.513 . . . . 0.0 111.698 175.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -57.35 -31.72 66.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.45 -177.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.509 ' OE1' ' HB3' ' A' ' 34' ' ' ASP . 15.8 mp0 -80.61 0.34 34.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.797 -175.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.6 35.32 29.18 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.489 -0.862 . . . . 0.0 111.284 -176.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.514 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 92.7 m-20 -103.18 125.72 50.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.692 -0.254 . . . . 0.0 110.911 -177.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.475 ' HA ' ' O ' ' A' ' 32' ' ' TYR . . . -90.69 100.22 13.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.942 176.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 77.8 mtm -121.91 160.26 25.16 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.155 -177.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.541 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 77.2 mt-30 -113.97 124.59 52.54 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.173 -176.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.608 HD11 HG22 ' A' ' 47' ' ' VAL . 10.9 pt -110.0 -179.79 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.903 0.382 . . . . 0.0 110.319 175.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -85.11 137.57 32.95 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.056 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 28' ' ' GLY . 0.8 OUTLIER -57.16 -35.49 69.6 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 123.12 0.263 . . . . 0.0 111.497 177.65 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.52 -19.28 62.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.06 0.457 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.68 ' HA ' ' HB2' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -86.09 -11.89 51.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.538 178.584 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.608 HG22 HD11 ' A' ' 42' ' ' ILE . 15.6 t -82.17 116.56 26.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 175.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.1 t -105.94 -72.4 0.72 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.665 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.618 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 15.6 mm100 -124.88 110.71 14.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.122 0.487 . . . . 0.0 111.913 -175.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.493 HD11 ' HG3' ' A' ' 7' ' ' MET . 49.9 mm -104.97 -56.13 5.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 171.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.55 HG12 ' H ' ' A' ' 52' ' ' GLU . 15.0 tt -178.32 175.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 178.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.55 ' H ' HG12 ' A' ' 51' ' ' ILE . 32.1 tt0 -68.34 107.6 2.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.336 0.589 . . . . 0.0 110.03 177.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.454 ' HG3' HH11 ' A' ' 53' ' ' ARG . 59.9 mtm-85 . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.915 -173.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 . . . . . 0 CA--C 1.518 -0.251 0 CA-C-O 120.903 0.382 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -136.77 176.13 8.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.306 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.2 p -172.74 139.32 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.969 0.414 . . . . 0.0 110.568 -178.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 59.1 ttp -121.29 105.11 10.24 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.77 ' HB3' ' HG3' ' A' ' 49' ' ' GLN . . . -93.86 119.79 33.26 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.421 ' HB ' ' OD2' ' A' ' 46' ' ' ASP . 43.0 p -86.12 172.46 10.56 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.355 -175.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.561 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 6.7 ttpm? -62.95 -25.99 68.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.835 178.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -54.78 -31.66 59.12 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.853 175.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.44 16.61 24.26 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.205 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -105.72 144.14 32.88 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.756 0.313 . . . . 0.0 110.618 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -97.84 104.1 16.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.059 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.4 mt -95.46 115.13 33.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.36 96.52 1.89 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.4 p -102.76 163.28 12.31 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.876 -174.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.5 157.77 25.81 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 169.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -83.6 72.45 2.83 Favored Glycine 0 CA--C 1.506 -0.47 0 C-N-CA 119.762 -1.208 . . . . 0.0 110.893 -177.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.664 ' H ' ' HD3' ' A' ' 21' ' ' PRO . 4.4 tmtt? 170.31 52.29 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.492 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -155.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.664 ' HD3' ' H ' ' A' ' 20' ' ' LYS . 6.2 Cg_exo -73.81 110.55 3.1 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.696 1.597 . . . . 0.0 110.545 173.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.42 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 4.5 tp10 -76.14 100.83 5.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.738 -176.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.478 HG12 HG22 ' A' ' 30' ' ' VAL . 50.3 mt -94.28 106.92 18.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.721 -175.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -83.09 107.45 15.67 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 174.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -73.52 -11.51 60.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.313 0.577 . . . . 0.0 110.836 -172.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -79.5 -58.16 3.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.971 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.459 ' HB ' HD13 ' A' ' 29' ' ' LEU . 36.7 p -82.9 -28.78 29.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.007 0.432 . . . . 0.0 110.857 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.12 15.09 55.0 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.976 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.459 HD13 ' HB ' ' A' ' 27' ' ' THR . 11.1 mp -95.0 144.49 25.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.336 0.589 . . . . 0.0 111.541 -178.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.478 HG22 HG12 ' A' ' 23' ' ' ILE . 90.0 t -114.81 108.7 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.91 177.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.42 ' HB2' ' HB3' ' A' ' 22' ' ' GLU . 7.5 m -87.7 115.97 25.52 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.836 177.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.548 ' HE1' HG23 ' A' ' 42' ' ' ILE . 27.8 p90 -116.54 141.27 48.4 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.951 0.405 . . . . 0.0 110.596 -177.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.643 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 15.7 t-80 -94.42 117.68 30.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.531 178.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.598 ' HB3' ' H ' ' A' ' 36' ' ' GLN . 56.3 m-20 -66.62 163.24 19.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.16 176.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -70.66 -16.22 62.79 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 166.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.598 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 10.1 tt0 -76.08 -12.52 60.13 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 114.157 -1.383 . . . . 0.0 110.462 178.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.455 ' HA2' ' NE2' ' A' ' 33' ' ' HIS . . . 85.28 37.05 10.13 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.687 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.643 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 92.8 m-20 -119.7 150.52 40.23 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.64 96.61 6.38 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 170.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 32' ' ' TYR . 62.7 mtm -104.5 160.34 15.01 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.17 131.34 53.64 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.236 -175.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.687 HD11 HG22 ' A' ' 47' ' ' VAL . 15.0 pt -114.33 -179.08 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 167.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -99.34 151.27 21.25 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.598 174.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.601 ' HA ' HG23 ' A' ' 47' ' ' VAL . 50.3 ttp180 -63.22 -23.77 67.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.71 -18.67 60.6 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.802 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.561 ' OD1' ' HB3' ' A' ' 10' ' ' LYS . 14.6 t70 -111.71 -0.14 16.1 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.504 -176.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.687 HG22 HD11 ' A' ' 42' ' ' ILE . 8.3 t -78.59 103.94 6.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 176.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 48.0 t -92.58 -64.7 1.07 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.749 0.309 . . . . 0.0 111.301 -174.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.77 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 12.2 pt20 -138.84 126.38 21.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.193 0.52 . . . . 0.0 111.04 -177.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.405 ' O ' ' HB ' ' A' ' 51' ' ' ILE . 10.3 tt -120.15 -23.79 3.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.382 -178.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.405 ' HB ' ' O ' ' A' ' 50' ' ' ILE . 2.2 mp 71.19 117.55 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.647 177.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -77.61 130.46 36.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 174.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.651 ' O ' ' HD2' ' A' ' 53' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.308 0 CA-C-O 121.686 0.755 . . . . 0.0 112.03 -175.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.2 t70 . . . . . 0 N--CA 1.462 0.137 0 CA-C-O 121.441 0.639 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.623 ' O ' HG22 ' A' ' 6' ' ' VAL . 80.0 m-85 -142.16 -158.12 0.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.771 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 5' ' ' TYR . 2.1 m 62.35 177.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.747 1.219 . . . . 0.0 112.008 179.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.0 ttp -132.45 111.2 11.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.134 0.493 . . . . 0.0 111.25 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.837 ' HB3' ' HB3' ' A' ' 49' ' ' GLN . . . -87.13 139.3 30.71 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 172.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.539 ' OG1' ' HG2' ' A' ' 13' ' ' ARG . 19.0 p -114.11 164.07 14.34 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -175.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -56.14 -39.13 71.79 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.319 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -55.64 -32.52 63.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.224 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.65 56.21 0.87 Allowed Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.803 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.539 ' HG2' ' OG1' ' A' ' 9' ' ' THR . 4.6 ptm180 -150.6 134.37 16.64 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.8 ttm -91.54 110.91 22.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.109 -178.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.6 mt -94.78 120.37 44.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.49 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' A' ' 35' ' ' GLN . 0.3 OUTLIER -74.81 104.79 5.58 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.525 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.422 HG22 ' HD2' ' A' ' 32' ' ' TYR . 15.1 p -97.24 143.23 28.23 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.992 -174.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.652 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 3.1 t70 -62.44 -43.47 98.73 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 168.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.83 -176.42 23.17 Favored Glycine 0 CA--C 1.497 -1.092 0 N-CA-C 109.579 -1.409 . . . . 0.0 109.579 171.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.7 mttt 71.63 78.44 0.21 Allowed Pre-proline 0 N--CA 1.455 -0.195 0 C-N-CA 118.559 -1.257 . . . . 0.0 112.666 164.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -80.94 93.56 1.01 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 121.942 1.762 . . . . 0.0 111.112 176.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -79.64 87.96 5.17 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.544 0.688 . . . . 0.0 109.608 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.527 HG12 HG22 ' A' ' 30' ' ' VAL . 30.3 mt -80.7 103.27 7.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.864 -175.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -74.89 97.15 3.26 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 176.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -77.57 2.93 14.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.601 -170.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -69.03 -32.03 71.25 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 174.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.414 HG23 ' HG ' ' A' ' 29' ' ' LEU . 3.8 t -118.88 -26.54 6.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.717 178.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.1 27.98 11.51 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.858 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.414 ' HG ' HG23 ' A' ' 27' ' ' THR . 55.1 mt -106.41 149.98 26.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.932 0.396 . . . . 0.0 110.116 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.527 HG22 HG12 ' A' ' 23' ' ' ILE . 49.0 t -103.57 105.16 17.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.495 -177.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 m -83.55 95.91 8.46 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.303 0.573 . . . . 0.0 109.729 176.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.471 ' CE1' HG23 ' A' ' 42' ' ' ILE . 16.9 p90 -102.2 175.75 5.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.838 -177.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.652 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 8.9 m170 -119.55 129.35 54.62 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.435 ' HB3' ' H ' ' A' ' 36' ' ' GLN . 67.1 m-20 -69.73 163.53 25.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.393 177.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.519 ' HB3' HD12 ' A' ' 16' ' ' LEU . 30.1 pt20 -68.72 -19.77 64.37 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 163.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.435 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 10.5 tt0 -72.84 -27.19 61.79 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.346 -1.297 . . . . 0.0 110.118 177.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 105.07 20.81 9.42 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.526 -0.845 . . . . 0.0 114.07 174.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.428 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 3.3 m-80 -108.95 160.01 16.36 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 117.535 0.667 . . . . 0.0 109.969 176.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 32' ' ' TYR . . . -107.43 105.43 15.35 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 173.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.6 mtm -112.7 159.89 18.46 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.132 -178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 38.1 mt-30 -115.92 117.26 29.67 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 121.053 -0.259 . . . . 0.0 111.041 -175.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.597 HD11 HG22 ' A' ' 47' ' ' VAL . 5.9 pt -104.35 -179.66 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 172.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.472 ' ND2' ' HB3' ' A' ' 45' ' ' ASP . 53.4 t30 -89.03 142.05 27.97 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.428 ' HA ' HG23 ' A' ' 47' ' ' VAL . 55.2 ttp180 -68.3 -32.19 72.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.895 0.379 . . . . 0.0 110.691 -178.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.472 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 19.6 t70 -70.78 -20.37 62.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.507 0.67 . . . . 0.0 110.24 175.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.27 -3.28 59.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.288 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.597 HG22 HD11 ' A' ' 42' ' ' ILE . 12.5 t -80.24 103.5 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.7 t -92.57 -33.26 14.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -175.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.837 ' HB3' ' HB3' ' A' ' 8' ' ' ALA . 1.4 tm0? -152.06 149.6 29.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.738 0.304 . . . . 0.0 110.314 178.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.1 tt -173.15 -32.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.427 174.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.1 mt 65.23 99.76 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.741 176.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -99.75 79.66 2.26 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.94 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? . . . . . 0 C--N 1.318 -0.798 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 177.565 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 121.169 0.509 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.766 ' HA ' ' HG3' ' A' ' 52' ' ' GLU . 34.3 m-85 -105.19 93.85 4.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.463 177.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 m -147.57 108.92 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.24 0.543 . . . . 0.0 111.692 -170.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 50.1 ttp -75.53 102.07 5.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.058 174.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.05 120.22 18.37 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 175.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.1 p -105.31 172.78 6.61 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.938 0.399 . . . . 0.0 111.924 -173.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -53.54 -38.49 63.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.842 176.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -66.91 -17.95 65.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.055 -177.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.65 1.37 63.88 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.164 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.0 ptm85 -96.3 142.1 28.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.945 0.402 . . . . 0.0 110.928 -178.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -93.49 111.78 23.53 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.364 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.1 mt -91.52 127.34 43.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 175.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.52 111.28 4.62 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -175.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.462 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 1.4 p -124.26 78.75 1.68 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -170.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -93.24 121.61 34.78 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 163.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.459 ' HA3' ' HB2' ' A' ' 33' ' ' HIS . . . 116.42 -60.85 0.42 Allowed Glycine 0 CA--C 1.502 -0.731 0 N-CA-C 108.184 -1.967 . . . . 0.0 108.184 -162.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER 77.13 132.76 0.04 OUTLIER Pre-proline 0 CA--C 1.537 0.466 0 N-CA-C 116.868 2.173 . . . . 0.0 116.868 140.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.528 ' HD2' ' HG2' ' A' ' 20' ' ' LYS . 74.2 Cg_exo -45.3 130.32 11.17 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 124.826 3.684 . . . . 0.0 115.456 -174.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.484 ' HB3' ' OG ' ' A' ' 31' ' ' SER . 10.7 tt0 -117.0 112.39 20.89 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 169.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.9 mt -70.81 108.23 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.122 0.487 . . . . 0.0 110.899 -176.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -82.15 88.06 6.48 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 176.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -80.31 -14.03 58.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.439 -0.801 . . . . 0.0 112.225 -161.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -93.04 -2.48 55.61 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.629 0.728 . . . . 0.0 109.623 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.26 -35.54 3.42 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.163 -173.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.46 12.56 44.37 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.567 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.1 mp -118.14 172.45 7.42 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 -179.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 21' ' ' PRO . 61.5 t -136.75 116.34 16.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.484 ' OG ' ' HB3' ' A' ' 22' ' ' GLU . 7.0 p -82.92 106.91 15.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.842 0.353 . . . . 0.0 111.021 -178.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -113.14 154.87 25.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.022 0.439 . . . . 0.0 109.898 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.469 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 48.9 m170 -114.89 127.54 55.76 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.812 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.895 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -66.06 174.21 2.65 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-O 121.772 0.796 . . . . 0.0 112.92 -178.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -69.67 -9.29 53.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.268 -1.333 . . . . 0.0 110.36 175.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.466 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 27.5 mm-40 -114.87 20.95 14.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.419 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.39 40.47 94.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.825 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.895 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 78.0 m-20 -97.22 117.47 31.49 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 178.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.86 103.41 15.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.798 0.332 . . . . 0.0 110.93 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 78.9 mtm -131.09 154.49 48.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.764 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -113.22 124.4 52.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.867 0.365 . . . . 0.0 110.807 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.789 HD11 ' HB ' ' A' ' 47' ' ' VAL . 9.0 pt -100.06 -179.0 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.482 175.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -87.88 151.33 22.92 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.667 0.27 . . . . 0.0 110.525 178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 22.2 ttt-85 -63.01 -24.25 67.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.173 0.511 . . . . 0.0 110.313 177.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -86.96 -18.94 29.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.158 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -79.85 -30.46 40.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.815 0.34 . . . . 0.0 110.821 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.789 ' HB ' HD11 ' A' ' 42' ' ' ILE . 9.5 p -85.22 139.35 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.276 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.8 t -108.73 -58.69 1.98 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.678 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -150.35 137.92 19.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.652 0.263 . . . . 0.0 110.518 -178.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.478 HG21 ' HG2' ' A' ' 21' ' ' PRO . 20.6 pt -129.13 138.05 55.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.009 176.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.0 pt -144.72 14.74 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.072 -175.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.766 ' HG3' ' HA ' ' A' ' 5' ' ' TYR . 1.9 mp0 -49.67 -63.72 1.02 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.84 -178.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 78.7 mtt-85 . . . . . 0 C--N 1.326 -0.421 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.8 p30 . . . . . 0 CA--C 1.527 0.062 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -137.26 136.13 37.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.397 0.617 . . . . 0.0 111.656 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.7 t -134.57 135.56 53.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.7 ttp -119.42 116.32 25.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.193 0.521 . . . . 0.0 111.172 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.75 131.93 35.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.167 174.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.0 p -104.07 167.26 9.88 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.526 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 30.7 ttpt -55.19 -40.64 70.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.542 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -66.82 -27.8 67.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.845 -176.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.65 18.01 11.39 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.367 -0.921 . . . . 0.0 112.703 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -103.97 138.87 39.9 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 176.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 91.8 mmm -94.97 116.98 29.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.823 -174.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.6 mt -102.38 121.06 52.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.273 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -81.39 125.28 30.21 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 33' ' ' HIS . 12.5 p -117.97 143.7 46.15 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.454 0.645 . . . . 0.0 112.051 -173.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.436 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 29.5 t70 -75.62 -9.29 58.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 122.117 0.96 . . . . 0.0 108.525 171.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.48 179.73 18.75 Favored Glycine 0 CA--C 1.503 -0.667 0 CA-C-N 114.31 -1.313 . . . . 0.0 110.804 171.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 8.6 mtpm? 72.63 78.45 0.2 Allowed Pre-proline 0 C--N 1.342 0.279 0 C-N-CA 119.167 -1.013 . . . . 0.0 113.102 166.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -86.17 98.07 0.56 Allowed 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 122.459 2.106 . . . . 0.0 111.84 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 67.2 mm-40 -81.92 90.78 6.48 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.211 0.529 . . . . 0.0 110.719 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.56 HG12 HG22 ' A' ' 30' ' ' VAL . 18.1 mt -85.0 119.59 34.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.153 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.424 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 2.1 p30 -77.59 165.48 24.24 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -115.68 12.11 15.92 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.259 0.552 . . . . 0.0 110.679 177.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -75.1 -50.33 16.72 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 173.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.656 HG23 ' HG ' ' A' ' 29' ' ' LEU . 5.0 t -130.22 -26.81 2.3 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.377 177.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 24' ' ' ASP . . . 101.0 35.09 4.36 Favored Glycine 0 N--CA 1.441 -0.982 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.307 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.656 ' HG ' HG23 ' A' ' 27' ' ' THR . 64.0 mt -84.26 134.59 34.52 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.355 0.598 . . . . 0.0 110.232 176.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.56 HG22 HG12 ' A' ' 23' ' ' ILE . 44.5 t -91.61 102.69 13.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.32 -178.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.564 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . 12.0 m -84.09 103.94 13.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.066 0.46 . . . . 0.0 109.768 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.551 ' CE1' HG23 ' A' ' 42' ' ' ILE . 49.8 p90 -109.78 171.83 7.21 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.57 -175.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.441 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 34.0 m80 -109.54 115.32 29.69 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 173.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.691 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -66.48 164.35 16.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.653 0.263 . . . . 0.0 111.147 176.804 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -59.74 -30.82 69.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.491 0.662 . . . . 0.0 109.701 173.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.1 -3.3 38.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.162 -178.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.11 30.14 32.08 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.941 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.691 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 74.9 m-20 -97.08 140.77 31.1 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 -179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.64 92.4 4.09 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 176.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.465 ' O ' ' HA ' ' A' ' 31' ' ' SER . 21.0 mtm -121.21 169.32 10.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.368 -172.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.532 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . 22.9 mt-30 -125.06 123.3 39.49 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.465 0.172 . . . . 0.0 111.465 -172.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.551 HG23 ' CE1' ' A' ' 32' ' ' TYR . 5.9 pt -105.33 -179.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 170.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -94.12 144.31 25.6 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 121.218 -0.193 . . . . 0.0 111.001 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 44' ' ' ARG . 14.2 ptt85 -61.05 -31.98 71.62 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.595 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -75.98 -12.48 60.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.503 0.668 . . . . 0.0 110.181 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.526 ' HA ' ' HB2' ' A' ' 10' ' ' LYS . 1.1 m-20 -100.91 2.14 40.56 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.515 -175.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.536 HG22 HD11 ' A' ' 42' ' ' ILE . 12.6 t -82.43 108.49 15.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.0 t -93.08 -63.66 1.19 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.203 -174.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -147.81 144.5 28.23 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.612 HG22 HG23 ' A' ' 51' ' ' ILE . 59.1 mt -130.69 -74.28 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.834 0.35 . . . . 0.0 110.534 178.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.612 HG23 HG22 ' A' ' 50' ' ' ILE . 23.5 pt -128.44 -175.62 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.322 -177.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.52 159.03 16.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.625 -178.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.446 ' HD3' ' HA ' ' A' ' 53' ' ' ARG . 50.7 mmt-85 . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 121.738 0.78 . . . . 0.0 112.493 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.5 t70 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.421 ' HB2' ' O ' ' A' ' 17' ' ' THR . 85.3 m-85 -126.35 156.25 40.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.248 0.547 . . . . 0.0 111.481 -176.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.8 p -158.44 153.1 6.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.366 -0.833 . . . . 0.0 109.152 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -129.84 129.32 43.84 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.898 0.38 . . . . 0.0 110.075 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.41 117.13 29.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.718 -176.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 73.3 p -90.65 169.23 11.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.057 0.456 . . . . 0.0 111.373 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -77.59 -23.38 49.93 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.528 175.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.38 -40.79 98.19 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.834 176.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.59 -18.41 7.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.639 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -70.53 137.17 49.94 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 120.999 0.428 . . . . 0.0 110.489 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 92.0 mmm -101.02 95.13 6.37 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 177.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.1 mt -77.89 115.4 19.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 120.967 0.413 . . . . 0.0 110.927 -174.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.554 HD22 ' H ' ' A' ' 16' ' ' LEU . 2.1 mm? -71.9 121.15 18.55 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 176.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.469 HG22 ' CD2' ' A' ' 32' ' ' TYR . 16.8 p -117.37 151.52 36.86 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.857 0.36 . . . . 0.0 111.381 -175.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -75.67 -32.05 60.01 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 167.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.64 -166.19 26.6 Favored Glycine 0 CA--C 1.502 -0.761 0 CA-C-N 113.829 -1.532 . . . . 0.0 109.809 171.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.534 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 25.8 mmmt 72.95 79.7 0.18 Allowed Pre-proline 0 N--CA 1.455 -0.176 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 161.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -93.93 93.72 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 122.702 2.268 . . . . 0.0 111.735 173.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.416 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 3.5 tp10 -86.44 99.1 11.41 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.65 HG12 HG22 ' A' ' 30' ' ' VAL . 53.5 mt -85.47 125.01 40.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.557 -172.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -98.83 107.2 19.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.506 173.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -72.85 -23.56 60.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.883 -171.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -63.2 -40.13 96.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.943 0.401 . . . . 0.0 111.016 -176.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.9 t -103.92 -29.25 11.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.717 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.03 39.03 6.22 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.515 -177.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.547 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 63.2 mt -119.25 149.69 41.34 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.65 HG22 HG12 ' A' ' 23' ' ' ILE . 98.0 t -112.28 114.52 47.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.833 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' A' ' 40' ' ' MET . 19.1 m -85.29 101.13 12.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.159 177.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.534 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 26.9 p90 -107.15 162.12 14.16 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.174 -178.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -102.9 115.61 30.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.219 178.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.439 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -66.81 175.52 2.4 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -57.83 -29.14 64.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.099 -1.41 . . . . 0.0 110.554 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -90.51 -2.5 57.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.579 -177.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.99 17.34 59.61 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.033 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.439 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 94.1 m-20 -81.16 132.67 35.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.63 0.253 . . . . 0.0 111.018 -178.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.93 104.35 15.98 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.428 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.522 ' O ' ' HA ' ' A' ' 31' ' ' SER . 23.0 ptp -131.72 164.02 26.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.292 -179.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.547 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . 42.0 mt-30 -111.92 124.58 52.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.126 -175.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.622 HD11 HG22 ' A' ' 47' ' ' VAL . 6.3 pt -104.18 176.23 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 170.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -83.54 135.66 34.55 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.552 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 47.9 ttp85 -61.18 -33.13 72.94 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.065 0.459 . . . . 0.0 110.276 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -63.07 -27.26 69.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.935 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -83.86 -21.2 32.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.622 HG22 HD11 ' A' ' 42' ' ' ILE . 15.7 t -69.78 111.92 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.162 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 41.8 t -99.63 -64.29 1.05 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.409 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -142.98 179.21 7.17 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 41.0 mm -112.64 -77.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.074 0.464 . . . . 0.0 109.841 177.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.4 tt -115.29 155.86 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.364 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -67.6 156.88 35.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.21 0.529 . . . . 0.0 111.2 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.733 179.731 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 120.781 0.324 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.43 ' HD1' ' HB3' ' A' ' 52' ' ' GLU . 55.2 m-85 -129.94 142.03 50.7 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.904 179.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.53 ' H ' ' HG2' ' A' ' 52' ' ' GLU . 9.0 p -175.95 132.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 123.603 0.564 . . . . 0.0 109.858 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.53 ' HG2' HG12 ' A' ' 50' ' ' ILE . 14.6 tmm? -108.39 110.37 21.9 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.108 0.48 . . . . 0.0 109.908 -178.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.792 ' HB3' ' HB3' ' A' ' 49' ' ' GLN . . . -91.69 129.18 37.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.26 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.0 p -93.05 -179.97 5.26 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.691 0.757 . . . . 0.0 112.216 -174.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.408 ' HE2' ' HA ' ' A' ' 46' ' ' ASP . 34.6 ttpt -55.04 -43.34 73.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.231 -1.35 . . . . 0.0 111.691 177.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.559 ' HB2' ' HG2' ' A' ' 13' ' ' ARG . 7.3 m-20 -63.74 -30.56 71.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.883 -176.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.38 -11.54 28.47 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.31 -175.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.559 ' HG2' ' HB2' ' A' ' 11' ' ' ASP . 20.5 ptt180 -71.27 132.26 44.66 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 176.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 87.3 mtp -98.4 117.4 32.74 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.454 -176.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.9 mt -97.68 126.76 50.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.459 -177.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.32 115.34 14.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.523 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.1 p -129.84 155.52 45.86 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.562 -177.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -84.54 140.42 31.44 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 161.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.615 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -61.12 156.55 33.36 Favored Glycine 0 CA--C 1.499 -0.919 0 CA-C-O 118.69 -1.061 . . . . 0.0 113.235 -158.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.615 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 48.3 mtmt 92.83 76.69 0.03 OUTLIER Pre-proline 0 C--N 1.351 0.634 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 172.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -76.25 130.89 12.4 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 122.332 2.021 . . . . 0.0 111.271 173.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.34 107.41 18.81 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 59.8 mt -87.27 127.31 40.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.109 0.481 . . . . 0.0 111.078 -174.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.472 ' OD1' HG22 ' A' ' 27' ' ' THR . 10.2 t70 -93.81 113.5 25.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.672 177.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -87.52 6.5 33.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.949 -175.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -95.12 -52.81 4.05 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.848 0.356 . . . . 0.0 110.182 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.704 HG23 ' HG ' ' A' ' 29' ' ' LEU . 7.8 t -98.06 -18.05 18.77 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.979 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.41 33.43 13.92 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.377 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.704 ' HG ' HG23 ' A' ' 27' ' ' THR . 49.5 mt -106.5 162.57 13.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.814 0.34 . . . . 0.0 110.536 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.0 t -123.27 112.33 33.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.97 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' A' ' 40' ' ' MET . 10.9 m -84.18 100.73 11.35 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.217 0.532 . . . . 0.0 110.586 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -97.54 177.59 5.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.513 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -124.72 132.73 53.36 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.957 0.408 . . . . 0.0 111.893 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.617 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -67.5 151.82 46.71 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.231 168.387 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -74.76 -7.92 54.84 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 170.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.469 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 10.1 tt0 -83.27 -11.27 57.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.152 -1.386 . . . . 0.0 110.164 175.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.22 31.86 8.19 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.635 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.617 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 82.4 m-20 -113.58 128.25 56.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.91 0.386 . . . . 0.0 111.788 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.86 121.47 32.01 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 174.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.437 ' O ' ' HA ' ' A' ' 31' ' ' SER . 72.2 mtm -135.88 157.71 46.19 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -178.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -119.23 125.52 49.35 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.259 -175.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.628 HD11 HG13 ' A' ' 47' ' ' VAL . 4.8 pt -105.39 -179.45 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 169.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.418 ' HB2' ' OD2' ' A' ' 46' ' ' ASP . 62.1 m-80 -81.17 144.92 31.29 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.332 176.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -71.42 -11.16 60.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 122.059 0.933 . . . . 0.0 108.592 172.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -74.2 -21.1 59.95 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.238 -1.346 . . . . 0.0 110.061 172.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.53 ' HB2' HD12 ' A' ' 42' ' ' ILE . 68.9 m-20 -102.19 -12.83 17.74 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -173.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.628 HG13 HD11 ' A' ' 42' ' ' ILE . 12.7 m -79.2 158.68 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.159 175.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.2 t -152.56 -62.41 0.16 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.664 0.268 . . . . 0.0 111.656 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.792 ' HB3' ' HB3' ' A' ' 8' ' ' ALA . 27.6 tt0 -118.65 100.21 7.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.097 0.475 . . . . 0.0 110.963 -172.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.53 HG12 ' HG2' ' A' ' 7' ' ' MET . 66.2 mt -113.7 109.44 28.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.886 178.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.6 mt -102.53 -11.72 8.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.53 ' HG2' ' H ' ' A' ' 6' ' ' VAL . 26.1 mt-10 -52.83 -74.33 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.24 0.543 . . . . 0.0 110.596 -179.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.427 ' H ' ' HB2' ' A' ' 52' ' ' GLU . 35.1 ttp180 . . . . . 0 CA--C 1.533 0.325 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.312 175.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 121.152 0.501 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.491 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 14.7 t80 -151.11 -178.82 6.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.349 -175.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.4 p -134.41 140.77 45.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.838 0.351 . . . . 0.0 110.469 -176.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.9 ttp -124.79 115.75 21.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.449 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.44 119.54 31.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.817 177.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.2 p -97.78 -179.1 4.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.191 0.519 . . . . 0.0 111.834 -176.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -44.94 -41.43 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.789 -1.096 . . . . 0.0 111.745 176.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.55 ' HB2' ' HG2' ' A' ' 13' ' ' ARG . 1.5 m-20 -65.1 -21.27 66.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.331 -174.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.03 0.36 71.45 Favored Glycine 0 N--CA 1.448 -0.522 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -174.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.55 ' HG2' ' HB2' ' A' ' 11' ' ' ASP . 33.0 ptt180 -82.8 143.18 31.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.86 0.362 . . . . 0.0 110.334 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 63.4 mtt -98.06 104.2 16.22 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.002 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 67.0 mt -84.22 126.33 40.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.256 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -77.45 122.28 24.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.936 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.472 HG22 ' CD2' ' A' ' 32' ' ' TYR . 56.2 p -123.0 158.61 30.13 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.392 -176.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.464 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 28.9 t70 -74.45 -11.58 60.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 122.304 1.05 . . . . 0.0 108.602 171.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.491 ' HA2' ' HB3' ' A' ' 5' ' ' TYR . . . 109.47 165.77 20.14 Favored Glycine 0 CA--C 1.499 -0.942 0 CA-C-N 114.029 -1.441 . . . . 0.0 110.758 172.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt 72.71 78.46 0.2 Allowed Pre-proline 0 C--N 1.343 0.317 0 C-N-CA 118.647 -1.221 . . . . 0.0 111.981 166.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -81.64 119.69 3.38 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.341 2.027 . . . . 0.0 112.3 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -83.2 99.07 9.71 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mt -83.69 108.39 16.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.679 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.469 ' HB3' HG22 ' A' ' 27' ' ' THR . 2.5 m-20 -68.92 113.25 6.16 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -73.72 -27.42 61.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.573 -168.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -84.97 -52.51 5.93 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.439 -175.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.469 HG22 ' HB3' ' A' ' 24' ' ' ASP . 7.7 t -82.88 -29.41 29.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.725 0.298 . . . . 0.0 111.346 -176.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.02 24.15 30.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.688 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.478 ' HB3' ' HB3' ' A' ' 41' ' ' GLN . 60.5 mt -101.33 140.31 35.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 46.4 t -100.8 100.34 10.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 120.868 0.365 . . . . 0.0 110.317 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.9 m -85.82 109.56 18.76 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.156 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.472 ' CD2' HG22 ' A' ' 17' ' ' THR . 32.4 p90 -120.07 161.23 21.32 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.031 0.443 . . . . 0.0 111.128 -176.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.464 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 32.5 m170 -92.17 124.17 36.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.975 177.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.825 ' HB2' ' H ' ' A' ' 38' ' ' ASN . 8.8 m-20 -64.79 162.19 16.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.167 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -17.69 60.97 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 169.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -83.4 -13.3 55.19 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.982 176.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.01 29.81 8.31 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.094 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.825 ' H ' ' HB2' ' A' ' 34' ' ' ASP . 18.1 m-80 -108.6 -179.62 3.92 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 176.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -136.09 107.3 6.79 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.312 174.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 19.1 ptt? -135.3 169.51 17.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.758 0.313 . . . . 0.0 110.972 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.521 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 20.0 mp0 -111.17 148.18 33.33 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -170.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.658 HD11 ' HB ' ' A' ' 47' ' ' VAL . 11.1 pt -120.97 -178.91 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 166.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -86.78 143.88 27.31 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -66.11 -25.56 67.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.048 0.451 . . . . 0.0 109.845 176.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.21 -28.32 61.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.065 0.46 . . . . 0.0 110.858 175.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -84.41 -20.27 32.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.797 -174.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.658 ' HB ' HD11 ' A' ' 42' ' ' ILE . 12.1 p -83.04 140.97 15.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 176.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.5 t -128.71 -73.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.812 -173.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -111.45 113.34 25.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.298 0.571 . . . . 0.0 112.01 -175.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.523 HD11 HG21 ' A' ' 47' ' ' VAL . 60.7 mt -118.34 -25.7 2.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.69 173.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.5 mt -108.04 -55.59 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.006 -173.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.597 ' O ' ' HG3' ' A' ' 53' ' ' ARG . 11.6 tp10 61.61 -93.02 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -169.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.597 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 17.2 mtt180 . . . . . 0 N--CA 1.471 0.589 0 C-N-CA 124.118 0.967 . . . . 0.0 109.121 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--O 1.234 0.239 0 CA-C-O 120.834 0.35 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -118.78 17.08 13.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 m 39.35 83.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 124.041 0.838 . . . . 0.0 112.125 -175.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -69.58 108.0 3.65 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.612 -175.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.25 126.81 33.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.486 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.634 ' OG1' ' HG3' ' A' ' 13' ' ' ARG . 27.6 p -95.39 166.47 11.86 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.064 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.419 ' HE2' ' HA ' ' A' ' 46' ' ' ASP . 36.6 ttpt -58.23 -31.38 67.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.899 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.47 -35.96 76.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.464 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.41 -10.04 11.69 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.069 -178.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.634 ' HG3' ' OG1' ' A' ' 9' ' ' THR . 5.7 ptt85 -73.76 124.5 26.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.194 0.521 . . . . 0.0 110.546 177.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 25.8 mmt -89.11 119.58 29.74 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.451 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.8 mt -105.56 124.51 60.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.856 0.36 . . . . 0.0 111.499 -176.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.404 HD22 ' N ' ' A' ' 16' ' ' LEU . 3.4 mm? -69.48 116.22 9.65 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 174.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.506 HG22 ' CD2' ' A' ' 32' ' ' TYR . 12.7 p -130.0 150.56 51.22 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -169.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.746 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 21.6 t70 -63.77 156.03 28.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.919 167.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -78.95 73.03 2.37 Favored Glycine 0 N--CA 1.466 0.641 0 C-N-CA 119.848 -1.168 . . . . 0.0 112.444 -169.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 19.8 tttt 162.52 85.98 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.289 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -158.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -91.9 98.31 0.2 Allowed 'Trans proline' 0 N--CA 1.448 -1.15 0 C-N-CA 122.633 2.222 . . . . 0.0 110.655 169.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -80.09 95.44 6.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.406 0.622 . . . . 0.0 109.709 -173.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.481 HG12 HG22 ' A' ' 30' ' ' VAL . 39.5 mt -80.42 120.34 31.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.927 -175.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -104.59 93.37 4.73 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 174.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -75.42 -17.39 60.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.792 -172.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -55.18 -46.45 75.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.277 176.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.9 t -94.05 -29.22 15.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.201 175.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.47 32.67 6.84 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.676 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.6 mt -119.25 158.05 26.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.943 0.401 . . . . 0.0 110.476 -178.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.531 HG21 HG21 ' A' ' 47' ' ' VAL . 87.8 t -118.82 110.19 29.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 175.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.1 m -88.34 105.41 17.55 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.264 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.527 ' CZ ' ' HG3' ' A' ' 40' ' ' MET . 42.7 p90 -113.03 175.35 5.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.777 0.322 . . . . 0.0 110.167 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.746 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 30.1 m80 -116.9 128.37 55.16 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 174.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' HB3' ' H ' ' A' ' 36' ' ' GLN . 0.6 OUTLIER -64.04 167.4 6.42 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.284 0.365 . . . . 0.0 111.275 176.475 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -62.61 -23.6 67.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.351 0.596 . . . . 0.0 109.634 171.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.441 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 63.2 mt-30 -73.85 -28.0 61.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.976 176.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.54 7.15 30.34 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.965 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.558 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 42.3 m-80 -76.84 148.89 36.27 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 116.997 0.398 . . . . 0.0 110.529 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.07 114.91 28.58 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 174.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.527 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 2.7 ptm -146.01 145.91 30.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.984 0.421 . . . . 0.0 111.18 -172.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -105.04 145.74 30.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.569 -173.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.578 HD11 HG22 ' A' ' 47' ' ' VAL . 11.9 pt -122.8 -178.97 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 165.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.417 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 9.1 t-20 -83.8 142.12 30.88 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.354 178.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -65.03 -28.06 69.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.18 -178.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -87.08 -3.98 59.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.272 0.558 . . . . 0.0 110.619 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.419 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 25.7 t70 -93.27 -3.82 52.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.094 -178.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.578 HG22 HD11 ' A' ' 42' ' ' ILE . 2.8 t -86.19 150.34 3.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.158 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.4 t -126.92 -61.53 1.17 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.88 -0.146 . . . . 0.0 111.123 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.85 146.88 49.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 -176.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.2 mt -134.94 -57.11 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.475 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.0 pt -112.87 122.34 66.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.734 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -57.01 -70.69 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.504 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 . . . . . 0 C--N 1.325 -0.468 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.692 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.4 ' HB3' ' H ' ' A' ' 20' ' ' LYS . 15.2 t70 . . . . . 0 CA--C 1.519 -0.234 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.522 ' CD2' HG23 ' A' ' 6' ' ' VAL . 39.7 p90 -168.76 -8.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.508 178.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.537 ' HB ' HD11 ' A' ' 51' ' ' ILE . 79.2 t -145.12 112.0 1.28 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.878 177.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.585 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 43.7 ttm -98.27 115.42 28.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.609 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.55 108.86 21.65 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.5 p -86.63 -179.34 6.58 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.295 0.569 . . . . 0.0 112.121 -174.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -62.81 -40.61 97.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.189 176.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -58.8 -38.51 78.74 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.263 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.27 -4.0 28.29 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.752 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -68.96 134.71 49.89 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-O 121.223 0.535 . . . . 0.0 110.429 176.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.3 tpt -93.68 100.11 12.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.481 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.585 ' HB ' ' HB3' ' A' ' 7' ' ' MET . 60.9 mt -86.84 119.08 34.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 120.833 0.349 . . . . 0.0 110.308 -178.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.92 91.04 4.15 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' A' ' 33' ' ' HIS . 6.0 p -87.25 134.53 33.53 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -178.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -56.26 -39.94 73.4 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 174.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 155.19 142.42 3.43 Favored Glycine 0 CA--C 1.504 -0.651 0 CA-C-N 114.491 -1.231 . . . . 0.0 111.313 161.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' H ' ' HB3' ' A' ' 4' ' ' ASP . 70.9 tttt 79.49 95.42 0.04 OUTLIER Pre-proline 0 C--N 1.349 0.582 0 C-N-CA 118.767 -1.173 . . . . 0.0 112.325 166.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.6 126.85 10.5 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.67 2.247 . . . . 0.0 111.687 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.574 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 5.6 tp10 -85.64 97.95 10.4 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 176.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.46 HG12 HG13 ' A' ' 30' ' ' VAL . 45.2 mt -91.29 116.29 32.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 -173.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -89.46 101.42 14.1 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 171.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -72.84 -28.89 62.8 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.537 -167.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -67.39 -46.03 74.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.285 -177.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.556 HG23 ' HG ' ' A' ' 29' ' ' LEU . 8.1 t -94.23 -17.89 22.24 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -178.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.84 30.79 31.08 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.2 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.556 ' HG ' HG23 ' A' ' 27' ' ' THR . 61.6 mt -108.95 136.69 48.07 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.57 ' HB ' HG13 ' A' ' 42' ' ' ILE . 60.0 t -114.23 105.42 18.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 120.838 0.352 . . . . 0.0 110.43 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.574 ' HB3' ' HB3' ' A' ' 22' ' ' GLU . 21.4 t -84.44 101.68 12.21 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.482 0.658 . . . . 0.0 110.223 -179.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.641 ' CE1' HG23 ' A' ' 42' ' ' ILE . 4.6 p90 -97.35 172.73 7.59 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.866 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.477 ' O ' ' HA ' ' A' ' 17' ' ' THR . 37.2 m80 -129.51 114.28 15.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.015 -177.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.819 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -60.96 160.54 9.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.26 0.553 . . . . 0.0 112.127 176.645 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -61.12 -27.96 68.76 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.568 169.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -72.91 -19.42 61.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.585 176.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.83 18.77 19.39 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.835 -0.698 . . . . 0.0 111.909 -176.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.819 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 84.2 m-20 -81.57 115.15 20.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.486 0.184 . . . . 0.0 110.645 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.67 91.51 8.69 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 173.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.552 ' O ' ' HA ' ' A' ' 31' ' ' SER . 77.3 mtm -115.35 176.27 5.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.174 -175.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -131.87 121.84 24.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.989 0.424 . . . . 0.0 111.784 -174.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.666 HD11 ' HB ' ' A' ' 47' ' ' VAL . 17.7 pt -100.35 -178.84 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 171.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.424 HD22 ' HA ' ' A' ' 43' ' ' ASN . 0.7 OUTLIER -88.55 145.51 25.68 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.842 0.353 . . . . 0.0 110.567 175.259 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -64.32 -18.28 64.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.508 0.671 . . . . 0.0 109.91 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -88.11 -15.71 35.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.863 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.56 -32.11 15.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.978 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.666 ' HB ' HD11 ' A' ' 42' ' ' ILE . 14.8 p -70.76 144.62 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 176.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.0 t -137.21 -66.83 0.5 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.811 0.338 . . . . 0.0 111.21 -175.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.581 HE21 ' HA ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -114.6 118.65 34.29 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.134 0.493 . . . . 0.0 111.811 -174.731 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 51' ' ' ILE . 43.0 mm -104.15 162.76 4.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 170.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.537 HD11 ' HB ' ' A' ' 6' ' ' VAL . 33.4 mt -84.21 68.15 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 174.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -62.13 -40.69 96.77 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.952 -174.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.437 ' HA ' ' HD2' ' A' ' 53' ' ' ARG . 6.6 tpt180 . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.463 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.633 0.254 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.501 ' HB2' ' O ' ' A' ' 17' ' ' THR . 19.7 m-85 -67.25 130.76 44.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.884 -176.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.492 ' HB ' ' SD ' ' A' ' 14' ' ' MET . 14.1 m -130.13 145.01 36.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 120.996 0.426 . . . . 0.0 111.328 -175.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 56.5 ttp -135.07 109.05 8.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.869 177.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.819 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . . . -89.59 121.56 31.91 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.321 -0.4 . . . . 0.0 109.958 178.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.0 p -85.86 178.07 7.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.972 -178.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.455 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 34.7 ttpt -63.06 -22.08 66.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.727 -178.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -65.46 -34.07 77.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.761 174.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.42 -4.28 33.02 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.258 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.429 ' O ' ' HA ' ' A' ' 8' ' ' ALA . 17.3 ptp180 -76.93 133.4 39.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.825 0.345 . . . . 0.0 110.154 177.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.492 ' SD ' ' HB ' ' A' ' 6' ' ' VAL . 52.6 tpp -89.16 100.13 12.98 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 177.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.3 mt -81.33 122.09 35.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.877 -178.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.506 HD22 ' H ' ' A' ' 16' ' ' LEU . 2.0 mm? -75.38 107.71 7.68 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.501 ' O ' ' HB2' ' A' ' 5' ' ' TYR . 6.1 p -110.91 142.58 42.8 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -169.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.96 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 15.9 t70 -71.86 126.69 30.38 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 159.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.621 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -59.4 159.33 20.57 Favored Glycine 0 CA--C 1.502 -0.775 0 CA-C-O 118.149 -1.362 . . . . 0.0 111.805 -166.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.621 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 60.6 mttp 91.61 76.98 0.04 OUTLIER Pre-proline 0 C--N 1.354 0.792 0 CA-C-N 117.975 0.887 . . . . 0.0 112.268 176.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -88.04 126.73 2.08 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 122.681 2.254 . . . . 0.0 111.949 176.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.594 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 10.6 mm-40 -85.34 105.74 16.22 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.425 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.0 mt -86.76 104.31 13.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.407 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -85.02 139.35 31.84 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.712 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -109.93 9.66 24.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.92 0.391 . . . . 0.0 111.346 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -86.12 -55.22 4.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.273 0.559 . . . . 0.0 110.291 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.768 HG23 ' HG ' ' A' ' 29' ' ' LEU . 5.0 t -112.12 -12.35 13.68 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.046 177.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.4 34.0 18.14 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.051 177.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.768 ' HG ' HG23 ' A' ' 27' ' ' THR . 55.8 mt -101.39 141.2 34.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.983 0.42 . . . . 0.0 110.812 178.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.2 t -106.46 106.9 21.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.729 176.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.594 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . 5.6 m -81.63 130.56 35.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.721 -177.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.434 ' CE1' HG23 ' A' ' 42' ' ' ILE . 31.2 p90 -140.75 165.17 28.24 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.96 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 20.2 m170 -110.25 133.92 52.76 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.33 170.71 15.83 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 174.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.31 -28.88 68.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.962 0.411 . . . . 0.0 110.636 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -66.01 -32.23 73.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.565 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.22 -5.92 21.57 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.689 -0.767 . . . . 0.0 113.009 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -76.83 150.74 36.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.968 0.413 . . . . 0.0 110.738 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.46 118.93 37.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.883 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.427 ' O ' ' HA ' ' A' ' 31' ' ' SER . 74.7 mtm -122.3 171.33 9.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.543 179.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.641 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . 49.0 mt-30 -137.16 116.96 13.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.887 -0.142 . . . . 0.0 110.897 -175.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.5 HD11 HG22 ' A' ' 47' ' ' VAL . 19.2 pt -91.61 -179.71 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.78 148.45 22.11 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.06 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -56.03 -40.0 72.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.126 177.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -75.42 0.05 18.32 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.532 -177.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.455 ' OD1' ' HB3' ' A' ' 10' ' ' LYS . 25.0 t70 -112.17 -0.57 15.52 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.094 0.473 . . . . 0.0 110.926 -174.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.5 HG22 HD11 ' A' ' 42' ' ' ILE . 6.4 t -81.6 109.49 15.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.9 t -109.01 -78.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -173.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.819 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 71.9 mm-40 -109.21 111.78 23.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.685 0.278 . . . . 0.0 111.242 -171.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 61.8 mt -111.75 -69.27 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.919 0.39 . . . . 0.0 110.062 175.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.2 tt -129.93 -11.43 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.666 -174.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -72.57 164.87 25.75 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.056 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.9 mtt85 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.914 -169.67 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 . . . . . 0 CA--C 1.515 -0.39 0 CA-C-O 120.904 0.383 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.419 ' O ' HG12 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -114.5 -69.59 0.85 Allowed 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 169.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.64 HG23 HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER 70.46 159.07 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 O-C-N 123.986 0.804 . . . . 0.0 111.659 172.493 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 58.9 ttp -127.18 102.46 6.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.104 0.478 . . . . 0.0 110.339 177.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.766 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . . . -72.71 135.02 45.29 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 174.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -127.67 155.55 43.76 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 120.863 0.363 . . . . 0.0 111.252 -173.578 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.861 ' HE3' ' HA ' ' A' ' 46' ' ' ASP . 27.6 ttpp -60.52 -44.22 96.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.199 -175.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -76.76 29.55 0.13 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.963 0.411 . . . . 0.0 111.858 -173.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.5 68.59 1.59 Allowed Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 116.236 -0.438 . . . . 0.0 113.07 173.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.18 142.8 7.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.049 0.452 . . . . 0.0 110.802 176.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -111.65 87.82 2.65 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 170.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.5 mt -73.88 123.61 29.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.085 -171.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.64 HD13 HG23 ' A' ' 6' ' ' VAL . 4.1 mm? -68.47 109.72 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 174.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.8 p -131.25 157.04 44.31 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.31 -170.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 1.042 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 20.9 t70 -68.41 109.67 3.78 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 164.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.32 95.36 0.51 Allowed Glycine 0 N--CA 1.467 0.713 0 C-N-CA 121.027 -0.606 . . . . 0.0 113.2 -163.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' N ' ' HD3' ' A' ' 21' ' ' PRO . 7.5 mttp 157.86 65.62 0.0 OUTLIER Pre-proline 0 C--O 1.233 0.185 0 O-C-N 124.252 0.619 . . . . 0.0 112.154 -160.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 20' ' ' LYS . 6.4 Cg_endo -86.92 154.92 8.56 Favored 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 122.668 2.245 . . . . 0.0 111.549 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.08 110.93 18.23 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.071 0.462 . . . . 0.0 110.364 178.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.535 HG12 HG22 ' A' ' 30' ' ' VAL . 46.1 mt -88.41 100.61 10.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.132 177.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -70.12 125.16 25.95 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.004 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -73.69 -28.95 62.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.58 -169.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -72.42 -55.05 7.68 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.484 -175.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.6 t -84.94 -23.32 28.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.58 0.228 . . . . 0.0 111.377 -178.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.19 40.97 27.81 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.723 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 23' ' ' ILE . 79.1 mt -115.44 152.39 32.99 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.672 0.272 . . . . 0.0 110.459 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.535 HG22 HG12 ' A' ' 23' ' ' ILE . 47.8 t -106.23 102.06 13.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.052 178.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.613 ' HA ' ' O ' ' A' ' 40' ' ' MET . 15.9 m -87.23 106.84 18.18 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.631 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.441 ' CE1' ' HB2' ' A' ' 40' ' ' MET . 32.6 p90 -109.51 167.72 9.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.799 0.333 . . . . 0.0 110.702 -179.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 1.042 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 27.4 m170 -105.82 134.84 48.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.24 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.539 ' HB2' ' H ' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -64.28 158.67 22.74 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.377 178.15 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -62.94 -28.54 70.14 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 169.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -76.34 -23.28 54.2 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.86 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.62 21.72 7.4 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.897 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.539 ' H ' ' HB2' ' A' ' 34' ' ' ASP . 18.0 m-80 -96.76 -172.61 2.52 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 176.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -140.14 128.7 22.9 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.485 -0.191 . . . . 0.0 110.485 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.613 ' O ' ' HA ' ' A' ' 31' ' ' SER . 39.9 mtt -122.24 159.58 27.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.373 178.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.416 ' HG2' ' OG ' ' A' ' 31' ' ' SER . 49.0 mt-30 -116.51 108.19 15.69 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 176.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.598 HD11 ' HB ' ' A' ' 47' ' ' VAL . 6.9 pt -101.15 -179.96 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.847 0.356 . . . . 0.0 110.499 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -78.75 141.33 37.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.514 ' O ' HG12 ' A' ' 47' ' ' VAL . 35.3 ttp180 -58.91 -40.95 86.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.064 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.92 -19.25 60.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.642 -177.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.861 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 37.2 t70 -84.77 -32.79 23.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.443 -174.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.598 ' HB ' HD11 ' A' ' 42' ' ' ILE . 11.1 p -65.48 143.15 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 176.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.1 t -118.97 -68.52 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.581 -174.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.766 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 53.8 mt-30 -130.02 149.24 51.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 111.333 -176.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.0 mm -105.4 -16.25 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 172.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.8 mt 57.65 48.91 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 114.561 -1.199 . . . . 0.0 110.622 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -71.03 108.46 4.6 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.49 175.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.436 ' H ' ' HG3' ' A' ' 53' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 121.21 0.529 . . . . 0.0 111.667 -177.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 121.797 0.808 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.553 ' CD1' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -129.15 -172.03 2.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.666 -176.772 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.553 HG23 ' CD1' ' A' ' 5' ' ' TYR . 83.4 t 73.14 120.17 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 O-C-N 123.837 0.711 . . . . 0.0 111.28 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.3 ttp -122.16 109.88 15.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.444 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 48' ' ' SER . . . -87.03 125.48 34.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.945 176.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 p -119.25 -177.49 3.36 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -173.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -28.12 -59.81 0.11 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.148 1.379 . . . . 0.0 114.336 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.571 ' HB2' ' HD2' ' A' ' 13' ' ' ARG . 31.1 m-20 -76.24 5.84 6.35 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -170.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.29 29.4 70.27 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -175.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.571 ' HD2' ' HB2' ' A' ' 11' ' ' ASP . 10.8 ptm180 -96.34 129.72 43.61 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -177.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 86.4 mmm -87.31 95.7 10.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.831 -177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.0 mt -79.91 111.33 16.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.918 0.39 . . . . 0.0 110.105 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.8 mt -77.6 94.76 4.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.471 0.653 . . . . 0.0 110.508 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.4 p -97.29 160.25 14.44 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.602 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -60.81 -40.7 93.71 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 169.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 141.81 170.88 12.65 Favored Glycine 0 CA--C 1.501 -0.793 0 CA-C-N 114.217 -1.356 . . . . 0.0 110.488 166.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.5 mttt 67.78 75.1 0.3 Allowed Pre-proline 0 C--O 1.235 0.34 0 C-N-CA 118.594 -1.242 . . . . 0.0 113.164 162.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.41 ' HB2' ' CG1' ' A' ' 30' ' ' VAL . 89.1 Cg_endo -82.98 145.93 12.65 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.542 2.161 . . . . 0.0 112.373 179.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.487 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 26.5 tt0 -99.86 111.37 23.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.444 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mt -82.46 102.75 8.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -70.12 143.58 52.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.805 -175.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -90.06 -23.53 21.41 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.236 -178.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -70.55 -64.16 0.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.079 -177.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.683 HG23 ' HG ' ' A' ' 29' ' ' LEU . 5.9 t -108.51 -3.98 17.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.945 0.402 . . . . 0.0 111.31 -176.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.57 28.94 62.4 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.171 174.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.683 ' HG ' HG23 ' A' ' 27' ' ' THR . 55.3 mt -99.38 141.67 31.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.795 0.331 . . . . 0.0 110.215 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 47.9 t -93.01 100.41 11.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.495 -178.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.49 ' HA ' ' HG3' ' A' ' 41' ' ' GLN . 3.5 m -75.53 115.14 14.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.369 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.572 ' CE1' HG23 ' A' ' 42' ' ' ILE . 42.0 p90 -121.43 173.39 7.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.014 0.435 . . . . 0.0 110.876 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -127.11 111.76 14.39 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.814 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.753 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 45.7 m-20 -62.34 152.27 34.38 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 173.144 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -62.63 -18.74 62.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.282 0.563 . . . . 0.0 110.129 173.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -84.97 0.88 49.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.956 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.85 11.93 58.45 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.891 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.753 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 90.6 m-20 -81.84 113.23 19.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.763 0.316 . . . . 0.0 111.191 -177.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -96.47 107.13 19.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.103 175.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.6 ptt? -156.29 179.7 8.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.464 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.49 ' HG3' ' HA ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -126.36 159.44 33.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.851 0.358 . . . . 0.0 111.792 -170.384 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.611 HD11 HG22 ' A' ' 47' ' ' VAL . 7.3 pt -121.36 -179.87 2.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 165.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.522 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 61.3 t30 -88.58 143.19 27.11 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 110.53 -0.174 . . . . 0.0 110.53 178.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -66.98 -17.89 65.13 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.07 0.462 . . . . 0.0 111.182 -178.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.483 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . 31.5 t70 -82.24 -17.86 44.53 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.086 0.47 . . . . 0.0 110.412 179.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.522 ' OD1' ' HB3' ' A' ' 43' ' ' ASN . 6.1 m-20 -99.79 9.92 42.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.44 -175.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.611 HG22 HD11 ' A' ' 42' ' ' ILE . 13.1 t -85.94 128.22 39.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.065 178.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' ' 8' ' ' ALA . 41.2 t -91.11 -68.88 0.76 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 178.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -179.49 147.85 0.32 Allowed 'General case' 0 C--O 1.232 0.142 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.7 mm -82.01 117.26 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 174.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.2 tt -110.59 122.33 64.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.354 0.597 . . . . 0.0 110.95 -175.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -87.0 49.62 1.86 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.454 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.111 179.283 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.8 t70 . . . . . 0 N--CA 1.467 0.391 0 CA-C-O 121.541 0.686 . . . . 0.0 110.736 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.489 ' O ' HG12 ' A' ' 6' ' ' VAL . 78.1 t80 -160.5 112.22 1.93 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.612 -179.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 5' ' ' TYR . 0.3 OUTLIER 65.43 154.82 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.769 0.828 . . . . 0.0 111.52 -177.119 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 57.9 ttp -132.75 131.3 41.03 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.048 -0.408 . . . . 0.0 111.135 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.13 119.95 41.07 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.959 176.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' A' ' 46' ' ' ASP . 34.8 p -94.34 -179.66 4.99 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.764 -176.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -48.65 -48.76 39.44 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 123.827 0.851 . . . . 0.0 112.443 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -66.93 -21.61 65.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.746 -173.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.22 8.38 44.4 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.971 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -84.65 141.86 30.32 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 86.1 mtp -102.62 112.82 25.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.983 0.421 . . . . 0.0 110.236 -177.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.0 mt -89.28 131.85 35.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.067 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.95 83.99 6.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.56 0.695 . . . . 0.0 110.48 -176.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.577 HG22 ' CD2' ' A' ' 32' ' ' TYR . 29.6 p -81.63 156.2 25.25 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.611 -177.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.48 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 11.4 t70 -78.35 -24.48 46.44 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 165.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.66 -165.87 22.04 Favored Glycine 0 CA--C 1.499 -0.953 0 CA-C-N 113.385 -1.734 . . . . 0.0 109.016 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 20' ' ' LYS . 3.3 mptp? 69.46 73.49 0.3 Allowed Pre-proline 0 CA--C 1.531 0.226 0 CA-C-N 118.448 1.124 . . . . 0.0 112.896 162.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -87.47 93.63 0.47 Allowed 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.338 2.025 . . . . 0.0 111.859 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.474 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 29.3 tt0 -81.57 95.59 7.19 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.056 -178.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.465 HG12 HG22 ' A' ' 30' ' ' VAL . 28.5 mt -69.81 103.26 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -70.0 123.14 20.78 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.368 -175.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -76.98 -23.83 52.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.069 -173.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -79.4 -56.8 4.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.084 -178.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.2 p -83.31 -30.03 27.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 -176.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.488 ' O ' ' HB2' ' A' ' 44' ' ' ARG . . . 90.11 5.19 70.74 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.787 -177.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.611 ' HG ' ' HA ' ' A' ' 43' ' ' ASN . 10.8 mp -100.73 152.52 20.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.884 0.373 . . . . 0.0 111.024 -178.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 41' ' ' GLN . 96.2 t -91.52 111.17 23.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.659 -178.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.474 ' HB2' ' HB3' ' A' ' 22' ' ' GLU . 4.8 m -84.7 106.97 16.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.799 177.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.577 ' CD2' HG22 ' A' ' 17' ' ' THR . 23.1 p90 -118.54 166.06 13.17 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.68 -175.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.48 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 29.6 m170 -107.78 133.67 51.84 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.79 175.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.532 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 5.1 m-20 -80.82 145.33 31.47 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 169.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -75.06 -8.75 57.42 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 172.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.488 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 7.5 tt0 -68.32 -26.3 65.55 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 114.278 -1.328 . . . . 0.0 110.361 170.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.08 21.85 5.47 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.003 -0.617 . . . . 0.0 112.697 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.532 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 88.5 m-20 -110.03 163.2 13.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.961 0.41 . . . . 0.0 111.265 -177.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -140.38 119.97 13.25 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 173.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.2 ptp -153.65 169.2 23.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.65 0.262 . . . . 0.0 110.62 -175.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.534 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . 21.2 mt-30 -112.99 126.97 56.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.047 -176.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.689 HD11 ' HB ' ' A' ' 47' ' ' VAL . 3.5 pt -102.85 166.36 2.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 172.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.611 ' HA ' ' HG ' ' A' ' 29' ' ' LEU . 62.0 t30 -76.58 152.88 35.78 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 120.822 0.344 . . . . 0.0 111.666 -174.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 9.0 tpt180 -60.9 -36.14 78.47 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 121.26 0.552 . . . . 0.0 110.133 177.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -80.2 -9.73 59.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.446 ' O ' ' HB ' ' A' ' 9' ' ' THR . 33.6 t70 -90.06 -36.15 15.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.632 -176.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.689 ' HB ' HD11 ' A' ' 42' ' ' ILE . 13.2 p -72.64 144.26 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.83 -0.434 . . . . 0.0 109.83 176.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.1 t -130.8 -65.49 0.79 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.408 -176.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -135.45 141.64 45.42 Favored 'General case' 0 C--N 1.333 -0.135 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -171.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 50.7 mm -109.59 142.27 22.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 169.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.8 tt -78.27 111.88 15.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.418 0.628 . . . . 0.0 111.179 -176.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -92.12 -177.6 4.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.048 175.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 . . . . . 0 C--N 1.325 -0.459 0 CA-C-O 120.936 0.398 . . . . 0.0 111.224 -177.662 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.5 t70 . . . . . 0 CA--C 1.518 -0.27 0 CA-C-O 121.175 0.512 . . . . 0.0 110.104 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -126.13 162.34 25.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.948 173.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 p -169.14 162.51 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 -176.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 59.9 ttp -144.96 116.2 7.96 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.06 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.702 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . . . -91.02 122.05 33.35 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.509 ' HB ' ' O ' ' A' ' 46' ' ' ASP . 62.2 p -92.25 -177.63 4.71 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.932 0.396 . . . . 0.0 111.837 -176.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.448 ' HB3' ' NZ ' ' A' ' 10' ' ' LYS . 6.1 ttpm? -41.6 -46.39 3.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.832 -1.076 . . . . 0.0 112.276 -178.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -81.47 4.1 22.33 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.846 -170.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.75 2.75 90.64 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.448 178.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -83.59 136.87 34.08 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 67.0 mtt -92.06 118.94 31.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.489 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.4 mm -84.93 129.62 37.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.43 65.46 5.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.382 0.61 . . . . 0.0 110.634 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.498 ' HA ' ' O ' ' A' ' 33' ' ' HIS . 35.1 p -73.62 134.77 43.74 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.75 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -56.99 -38.26 72.79 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 172.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.96 175.45 23.66 Favored Glycine 0 CA--C 1.499 -0.926 0 CA-C-O 118.958 -0.912 . . . . 0.0 111.532 164.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HE2' ' HB3' ' A' ' 20' ' ' LYS . 31.0 mtpt 71.94 71.52 0.28 Allowed Pre-proline 0 N--CA 1.454 -0.27 0 C-N-CA 118.697 -1.201 . . . . 0.0 113.249 164.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -82.16 105.52 1.48 Allowed 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 122.364 2.043 . . . . 0.0 111.389 176.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -82.93 108.87 16.57 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.573 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.55 HG12 HG22 ' A' ' 30' ' ' VAL . 52.3 mt -78.89 116.88 23.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.704 -178.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -71.01 94.92 1.13 Allowed 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 174.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -66.44 -19.28 65.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.313 -172.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.22 -48.04 83.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.468 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.716 HG23 ' HG ' ' A' ' 29' ' ' LEU . 9.1 t -116.14 -26.27 7.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.737 -175.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.24 34.21 4.6 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.5 -177.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.716 ' HG ' HG23 ' A' ' 27' ' ' THR . 63.0 mt -101.01 161.19 13.77 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 175.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.55 HG22 HG12 ' A' ' 23' ' ' ILE . 60.1 t -121.5 110.35 27.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.021 0.438 . . . . 0.0 110.61 178.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' A' ' 40' ' ' MET . 66.9 m -78.04 101.89 7.16 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.2 177.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -116.69 153.89 31.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 -176.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.571 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 32.5 m170 -109.05 123.15 48.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.683 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.66 163.95 13.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.701 174.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -74.46 58.79 0.78 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.904 0.859 . . . . 0.0 110.99 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.53 ' HB3' ' HB2' ' A' ' 38' ' ' ASN . 22.0 tp60 -150.15 7.39 0.61 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 114.749 -1.114 . . . . 0.0 108.823 176.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.66 43.8 91.14 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 109.028 -1.629 . . . . 0.0 109.028 -167.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.571 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 9.4 t-20 -111.63 114.3 27.25 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.804 -0.698 . . . . 0.0 110.64 -167.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.94 107.73 18.66 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.485 ' O ' ' HA ' ' A' ' 31' ' ' SER . 68.1 mtm -127.02 161.79 27.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.617 -177.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -120.1 111.71 18.2 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.432 HG23 ' HB ' ' A' ' 30' ' ' VAL . 7.9 tp -105.64 141.1 21.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.577 -177.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -62.54 146.21 52.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.044 0.45 . . . . 0.0 111.618 -176.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -59.47 -25.81 64.71 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.09 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -83.77 -9.27 58.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.886 0.375 . . . . 0.0 111.029 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.509 ' O ' ' HB ' ' A' ' 9' ' ' THR . 11.5 m-20 -97.79 -22.79 16.2 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.863 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.2 m -85.11 163.14 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 171.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.6 t -151.45 -78.94 0.12 Allowed 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.226 -0.59 . . . . 0.0 112.056 -176.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.702 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 10.2 mm100 -103.23 116.8 33.16 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.029 0.442 . . . . 0.0 112.165 -167.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 7.9 mt -141.01 17.2 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.47 176.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.498 HG22 ' H ' ' A' ' 53' ' ' ARG . 4.9 mp -125.25 -66.98 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.521 -174.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.578 ' OE1' ' HB3' ' A' ' 49' ' ' GLN . 0.0 OUTLIER 56.39 34.49 24.28 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.828 176.665 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.498 ' H ' HG22 ' A' ' 51' ' ' ILE . 25.5 ttm180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 114.57 -1.195 . . . . 0.0 111.789 174.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.232 0.17 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.595 ' HB2' ' O ' ' A' ' 17' ' ' THR . 19.8 p90 -81.6 69.93 8.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.763 0.792 . . . . 0.0 111.994 -174.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -163.3 128.38 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.88 176.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.3 ttp -130.8 127.97 39.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.326 -174.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.465 ' HB2' ' SD ' ' A' ' 14' ' ' MET . . . -98.08 127.82 44.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.982 176.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.9 p -113.09 -176.69 2.95 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.85 -176.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.541 ' HB3' ' NZ ' ' A' ' 10' ' ' LYS . 5.6 ttpm? -29.14 -55.02 0.13 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.85 1.26 . . . . 0.0 112.994 174.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.422 ' HB2' ' HG2' ' A' ' 13' ' ' ARG . 2.1 m-20 -68.9 -7.79 38.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.389 -171.05 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.16 16.25 80.69 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -174.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.425 ' O ' ' HA ' ' A' ' 8' ' ' ALA . 9.0 ptp180 -88.26 142.8 27.45 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.465 ' SD ' ' HB2' ' A' ' 8' ' ' ALA . 26.4 mmt -97.4 103.27 15.19 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.493 178.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mt -83.67 111.96 20.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.82 77.69 1.6 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.95 177.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.595 ' O ' ' HB2' ' A' ' 5' ' ' TYR . 71.8 p -69.31 155.85 39.75 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.644 -178.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.52 -35.08 79.37 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 171.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.89 169.53 15.12 Favored Glycine 0 CA--C 1.505 -0.583 0 CA-C-N 114.432 -1.258 . . . . 0.0 110.621 168.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.5 mttt 73.76 90.39 0.07 OUTLIER Pre-proline 0 C--N 1.347 0.48 0 CA-C-N 118.573 1.187 . . . . 0.0 114.005 163.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -90.34 108.61 0.36 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.751 2.301 . . . . 0.0 111.852 173.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -91.7 104.22 16.7 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.0 mt -75.89 113.45 14.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.752 -177.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -82.01 106.72 14.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.693 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -66.18 -22.68 66.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.262 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.36 -68.37 0.28 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.415 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.465 HG23 ' HG ' ' A' ' 29' ' ' LEU . 3.7 t -96.39 -9.48 29.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.983 -172.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.18 37.53 32.03 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.033 -1.08 . . . . 0.0 110.955 -177.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.465 ' HG ' HG23 ' A' ' 27' ' ' THR . 41.9 mt -121.9 177.45 5.29 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.601 HG23 ' HA ' ' A' ' 44' ' ' ARG . 70.3 t -128.62 114.98 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.551 0.215 . . . . 0.0 110.772 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.9 m -80.32 99.87 8.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.197 175.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.501 ' HD2' HG22 ' A' ' 17' ' ' THR . 8.6 p90 -101.81 177.17 4.98 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 177.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.607 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 68.7 m80 -117.95 122.5 43.43 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 178.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.636 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.3 OUTLIER -54.85 175.49 0.06 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 177.442 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -62.42 -30.62 71.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.515 -1.221 . . . . 0.0 108.681 169.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.538 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 59.5 mm-40 -84.13 -13.72 52.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.87 178.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.37 0.53 47.11 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.882 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.636 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 84.1 m-20 -56.86 129.59 42.1 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 122.393 0.277 . . . . 0.0 111.635 -178.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.48 100.96 11.08 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 171.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 37.5 mtp -128.5 146.65 50.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.267 -173.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.485 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 24.2 mt-30 -101.81 124.09 46.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.225 -175.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.608 HD11 HG22 ' A' ' 47' ' ' VAL . 13.2 pt -107.39 178.33 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 171.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.984 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 9.7 t30 -75.64 128.31 34.96 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 110.197 -0.298 . . . . 0.0 110.197 -178.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.601 ' HA ' HG23 ' A' ' 30' ' ' VAL . 49.8 ttp180 -54.18 -43.52 70.77 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.206 0.527 . . . . 0.0 111.402 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -86.41 7.63 24.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.925 -176.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.984 ' HB2' ' HB3' ' A' ' 43' ' ' ASN . 8.0 t70 -95.39 -19.72 19.69 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.608 HG22 HD11 ' A' ' 42' ' ' ILE . 3.8 t -68.31 107.54 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.453 177.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.7 t -86.21 -48.81 8.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.529 -172.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -164.12 137.94 5.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 110.882 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.63 105.37 18.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 170.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 19.9 pt -74.39 110.55 8.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.33 0.586 . . . . 0.0 110.12 179.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -123.2 131.68 53.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.477 -174.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.0 ttp85 . . . . . 0 CA--C 1.54 0.578 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.262 174.044 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.7 t70 . . . . . 0 N--CA 1.462 0.143 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.59 ' HB2' ' O ' ' A' ' 17' ' ' THR . 73.4 m-85 -101.6 131.51 47.76 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.264 0.554 . . . . 0.0 111.145 -177.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -140.05 131.27 31.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.475 178.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.488 ' SD ' HG23 ' A' ' 47' ' ' VAL . 16.3 tmm? -96.93 117.16 30.51 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' ' 48' ' ' SER . . . -91.9 126.79 37.12 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.006 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.0 p -95.49 165.41 12.36 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.061 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.406 ' HE2' ' O ' ' A' ' 45' ' ' ASP . 37.3 ttpt -78.47 -18.39 54.92 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 172.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -63.13 -42.69 99.54 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.354 174.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 126.33 -23.5 5.75 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.733 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -70.22 143.45 52.18 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.098 0.475 . . . . 0.0 111.277 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 26.5 mmt -110.26 119.47 39.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.727 178.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.448 HG21 ' CE2' ' A' ' 32' ' ' TYR . 72.8 mt -108.99 126.21 66.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.887 -178.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.28 137.09 52.75 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.652 ' HB ' ' H ' ' A' ' 19' ' ' GLY . 13.3 p -141.18 169.39 17.7 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.373 -176.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -90.26 -4.9 56.89 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 164.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.652 ' H ' ' HB ' ' A' ' 17' ' ' THR . . . 108.38 -169.85 14.54 Favored Glycine 0 CA--C 1.501 -0.785 0 CA-C-N 113.829 -1.532 . . . . 0.0 110.915 172.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.0 mttt 71.15 72.3 0.28 Allowed Pre-proline 0 C--O 1.234 0.25 0 C-N-CA 119.093 -1.043 . . . . 0.0 113.162 162.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -77.86 105.2 1.98 Allowed 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.664 2.243 . . . . 0.0 111.514 175.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.551 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 34.1 tt0 -81.63 105.32 12.69 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.6 mt -79.41 107.66 12.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.043 0.449 . . . . 0.0 110.68 -176.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -79.91 134.53 36.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.388 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -108.0 9.5 28.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.382 0.611 . . . . 0.0 110.869 -178.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -87.77 -44.6 11.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.011 178.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.554 HG23 ' HG ' ' A' ' 29' ' ' LEU . 5.3 t -112.83 -19.08 12.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.437 173.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.3 35.32 12.34 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.055 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.554 ' HG ' HG23 ' A' ' 27' ' ' THR . 43.7 mt -113.0 155.8 24.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.971 0.415 . . . . 0.0 110.218 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.84 112.55 36.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.646 -177.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.551 ' HB2' ' HB3' ' A' ' 22' ' ' GLU . 15.5 m -83.02 111.68 19.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.093 0.473 . . . . 0.0 110.742 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.652 ' CE1' HG23 ' A' ' 42' ' ' ILE . 3.2 p90 -111.09 149.1 31.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.777 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -102.82 123.7 46.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.809 -175.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.718 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -61.36 160.45 10.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.289 -179.02 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -74.27 -14.89 60.98 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 168.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.567 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 82.8 mt-30 -85.22 -6.09 59.29 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.461 176.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.28 35.08 12.67 Favored Glycine 0 C--O 1.229 -0.204 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.01 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.718 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 84.9 m-20 -107.95 161.84 14.57 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -121.73 107.49 12.41 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.938 0.399 . . . . 0.0 110.01 174.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.432 ' O ' ' HA ' ' A' ' 31' ' ' SER . 76.3 mtm -121.82 170.97 9.24 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.892 -178.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.412 HE21 ' HB2' ' A' ' 29' ' ' LEU . 25.9 mt-30 -131.93 129.46 40.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.692 0.282 . . . . 0.0 111.359 -175.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.893 HD11 ' HB ' ' A' ' 47' ' ' VAL . 10.8 pt -108.4 -177.89 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.419 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 55.1 t30 -84.42 148.95 26.31 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.731 0.301 . . . . 0.0 110.875 -179.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.547 ' O ' HG12 ' A' ' 47' ' ' VAL . 27.3 ttp85 -62.91 -42.13 99.68 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -175.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.406 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 3.9 p-10 -89.45 3.93 50.75 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.761 -178.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.419 ' HB2' ' HB3' ' A' ' 43' ' ' ASN . 38.8 t70 -88.28 -34.79 17.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.16 0.505 . . . . 0.0 109.696 176.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.893 ' HB ' HD11 ' A' ' 42' ' ' ILE . 11.5 p -72.4 147.29 10.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.285 178.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' ' 8' ' ' ALA . 30.3 t -117.57 -76.73 0.57 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 177.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -146.23 152.87 39.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.666 0.27 . . . . 0.0 110.64 -177.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.564 ' O ' HG22 ' A' ' 51' ' ' ILE . 4.2 mp -81.18 104.15 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 174.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.564 HG22 ' O ' ' A' ' 50' ' ' ILE . 3.0 tt 61.63 162.31 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 O-C-N 124.264 0.977 . . . . 0.0 110.771 -170.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -75.51 108.23 8.19 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 121.952 -0.468 . . . . 0.0 111.771 -174.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 . . . . . 0 N--CA 1.47 0.534 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.986 173.821 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.4 t70 . . . . . 0 CA--C 1.518 -0.255 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.552 ' CD1' ' HA3' ' A' ' 19' ' ' GLY . 80.6 m-85 -124.55 156.44 37.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.829 0.347 . . . . 0.0 110.914 -178.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.7 p -161.33 147.01 4.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.828 178.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -136.78 116.59 13.11 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.739 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . . . -104.49 124.17 48.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.083 179.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.5 p -82.75 172.31 13.02 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.417 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -75.03 -0.07 17.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.361 0.601 . . . . 0.0 110.495 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -73.85 -36.91 64.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.708 173.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 115.72 -3.64 21.31 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.774 -175.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -86.27 137.8 32.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.944 0.402 . . . . 0.0 110.287 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 50.9 ttm -102.65 105.81 16.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.138 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.7 mt -97.41 137.24 25.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.936 -175.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -85.39 118.81 25.15 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 175.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.414 HG22 ' HD2' ' A' ' 32' ' ' TYR . 13.9 p -121.46 143.77 49.06 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.115 -172.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.939 ' HB3' ' HB2' ' A' ' 33' ' ' HIS . 25.2 t70 -64.19 111.04 2.4 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 161.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.614 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -62.58 156.13 39.76 Favored Glycine 0 CA--C 1.496 -1.125 0 CA-C-O 118.517 -1.157 . . . . 0.0 112.325 -163.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.614 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 58.9 mttp 82.61 70.3 0.11 Allowed Pre-proline 0 C--N 1.351 0.662 0 C-N-CA 119.078 -1.049 . . . . 0.0 110.804 178.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -88.38 162.14 6.81 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.795 2.33 . . . . 0.0 112.778 -176.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.548 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 13.3 mm-40 -100.35 97.22 8.0 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.627 -178.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.61 HG12 HG13 ' A' ' 30' ' ' VAL . 5.9 mt -85.41 97.92 6.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.497 -0.481 . . . . 0.0 109.751 174.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.585 ' OD1' HG22 ' A' ' 27' ' ' THR . 15.7 t70 -83.86 98.62 9.85 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 174.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -75.44 -10.96 59.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.244 0.545 . . . . 0.0 109.903 -174.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.473 ' HB3' ' OD1' ' A' ' 24' ' ' ASP . 15.9 t70 -67.21 -51.62 51.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.406 178.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.585 HG22 ' OD1' ' A' ' 24' ' ' ASP . 8.8 t -87.94 -23.22 23.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.935 0.398 . . . . 0.0 110.272 174.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.3 24.07 38.19 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 121.026 -0.606 . . . . 0.0 111.952 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.403 ' H ' HG23 ' A' ' 27' ' ' THR . 26.3 mt -116.61 142.98 46.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.952 0.406 . . . . 0.0 110.344 -177.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.61 HG13 HG12 ' A' ' 23' ' ' ILE . 61.9 t -108.88 107.21 22.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.776 -178.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.548 ' HB2' ' HB2' ' A' ' 22' ' ' GLU . 15.1 m -82.01 119.66 24.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.11 179.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.559 ' CE1' HG23 ' A' ' 42' ' ' ILE . 6.6 p90 -129.43 154.36 47.03 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.26 -0.427 . . . . 0.0 109.981 -178.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.939 ' HB2' ' HB3' ' A' ' 18' ' ' ASP . 73.5 m80 -104.74 136.92 43.36 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.904 0.383 . . . . 0.0 110.497 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.724 ' HB2' ' HB2' ' A' ' 38' ' ' ASN . 0.9 OUTLIER -68.18 165.56 18.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.61 176.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.534 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 5.9 tp60 -74.51 -14.34 60.8 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 172.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.518 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 6.4 tp-100 -83.85 -20.03 33.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.304 176.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 108.86 8.44 27.95 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.66 -178.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.724 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 87.4 m-20 -75.06 152.48 38.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.702 0.287 . . . . 0.0 110.766 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.8 101.18 8.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.976 0.417 . . . . 0.0 110.036 176.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 70.6 mtm -123.29 174.27 7.41 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.586 -175.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 45.9 mt-30 -138.54 129.32 26.54 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.674 -176.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.608 HD11 HG22 ' A' ' 47' ' ' VAL . 13.0 pt -109.33 -178.24 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 172.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.588 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 49.9 t30 -91.05 149.25 21.9 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.847 0.356 . . . . 0.0 110.806 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 -53.2 -51.7 61.24 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 123.803 0.841 . . . . 0.0 113.203 -175.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -84.55 5.54 27.28 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -173.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.588 ' OD1' ' HB3' ' A' ' 43' ' ' ASN . 3.3 m-20 -87.58 -18.82 28.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.083 0.468 . . . . 0.0 110.11 174.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.608 HG22 HD11 ' A' ' 42' ' ' ILE . 3.4 t -72.09 146.35 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.662 178.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.2 t -146.44 -75.15 0.21 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.377 -0.529 . . . . 0.0 112.216 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.739 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 47.5 mt-30 -102.63 108.14 19.3 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 -168.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.9 pt -142.51 -175.91 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.595 174.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.2 tt -86.43 0.72 6.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 CA-C-O 121.218 0.532 . . . . 0.0 110.518 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 66.92 -165.22 0.22 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.945 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 53' ' ' ARG . 12.8 ptt180 . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 121.361 0.6 . . . . 0.0 111.481 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 N--CA 1.466 0.346 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.759 ' HD2' ' HA3' ' A' ' 19' ' ' GLY . 0.5 OUTLIER -69.41 -40.5 77.27 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 170.713 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 92.8 t 71.25 115.17 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.841 175.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 59.8 ttp -99.21 106.85 19.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.471 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.77 110.91 22.52 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.472 175.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.9 p -88.06 164.9 15.52 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 121.251 0.548 . . . . 0.0 111.105 -177.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.657 ' HB2' ' HB2' ' A' ' 48' ' ' SER . 30.5 ttpt -82.89 -0.47 48.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.864 -174.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.54 ' OD1' ' HG2' ' A' ' 13' ' ' ARG . 1.8 p30 -88.07 -16.74 32.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.982 0.42 . . . . 0.0 110.028 175.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 119.62 -27.55 6.83 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.665 -0.779 . . . . 0.0 113.257 176.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.54 ' HG2' ' OD1' ' A' ' 11' ' ' ASP . 11.7 ptm180 -74.54 149.02 40.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.17 0.51 . . . . 0.0 111.067 -178.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 50.8 ttm -121.97 114.33 20.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.766 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.9 mt -102.25 134.83 41.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.949 -174.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -77.87 86.53 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.153 0.501 . . . . 0.0 110.735 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.9 p -101.99 126.56 48.94 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.262 174.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.53 -30.28 71.18 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.761 176.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.759 ' HA3' ' HD2' ' A' ' 5' ' ' TYR . . . 154.07 -179.74 30.05 Favored Glycine 0 CA--C 1.501 -0.811 0 C-N-CA 120.34 -0.933 . . . . 0.0 112.303 163.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 79.2 mttt 73.19 73.2 0.23 Allowed Pre-proline 0 N--CA 1.45 -0.433 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 165.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -94.43 116.59 0.24 Allowed 'Trans proline' 0 N--CA 1.443 -1.494 0 C-N-CA 123.508 2.806 . . . . 0.0 110.934 172.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.68 102.44 9.88 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 -178.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.4 mt -70.77 107.22 2.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.029 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -73.17 128.56 35.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.059 -177.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.649 ' HA ' ' NH2' ' A' ' 44' ' ' ARG . 4.6 p30 -102.49 8.54 39.95 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -177.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -104.99 -47.35 4.03 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-O 122.415 1.102 . . . . 0.0 108.802 175.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.19 -12.28 24.88 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 113.128 -1.851 . . . . 0.0 112.218 -165.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.17 20.96 78.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.419 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.3 mt -117.6 176.97 4.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.646 -0.277 . . . . 0.0 110.633 -176.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.585 HG21 HG21 ' A' ' 47' ' ' VAL . 39.3 t -135.03 115.92 19.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.403 178.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 40' ' ' MET . 5.9 m -79.92 101.57 8.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.965 -178.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.476 ' HD1' ' H ' ' A' ' 32' ' ' TYR . 1.1 p90 -105.77 169.09 8.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.948 0.404 . . . . 0.0 110.215 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -115.55 117.21 29.69 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.015 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.588 ' HB3' ' H ' ' A' ' 36' ' ' GLN . 54.6 m-20 -62.65 158.49 18.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.938 177.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -76.41 -8.52 57.31 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 168.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.588 ' H ' ' HB3' ' A' ' 34' ' ' ASP . 26.2 tp60 -85.91 -10.96 54.37 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 114.612 -1.176 . . . . 0.0 110.354 177.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.16 30.75 9.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 113.33 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.534 ' H ' ' HB2' ' A' ' 34' ' ' ASP . 55.4 m-80 -118.5 146.17 44.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 117.088 0.444 . . . . 0.0 110.757 176.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -106.25 102.79 12.18 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.468 ' O ' ' HA ' ' A' ' 31' ' ' SER . 62.5 mtm -124.46 169.91 11.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.264 -175.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.498 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 35.8 mt-30 -122.8 115.74 22.53 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 121.045 -0.262 . . . . 0.0 110.397 -175.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.53 HD11 HG22 ' A' ' 47' ' ' VAL . 8.3 pt -94.59 177.23 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.332 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 175.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.629 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . 11.7 t30 -76.33 134.73 39.63 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.675 0.274 . . . . 0.0 110.285 -178.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.649 ' NH2' ' HA ' ' A' ' 25' ' ' ASP . 29.7 ttm180 -57.7 -36.67 72.29 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -174.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -70.53 -7.1 41.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.817 -172.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.629 ' OD1' ' HB3' ' A' ' 43' ' ' ASN . 9.3 m-20 -90.84 -33.53 15.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.606 0.241 . . . . 0.0 111.184 -178.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.585 HG21 HG21 ' A' ' 30' ' ' VAL . 15.8 t -66.43 121.56 15.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.159 -176.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.657 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . 33.0 t -125.01 -70.13 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.776 -174.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -120.23 116.14 25.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.794 0.331 . . . . 0.0 111.495 -173.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.3 mm -98.76 -69.31 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.429 178.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 63.2 mt -95.68 -27.76 4.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.233 0.54 . . . . 0.0 110.096 -179.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.437 ' H ' ' HG2' ' A' ' 52' ' ' GLU . 6.5 pt-20 -68.44 96.9 0.71 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.364 -178.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 53' ' ' ARG . 28.9 mmt180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.553 176.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 . . . . . 0 N--CA 1.466 0.372 0 CA-C-O 120.931 0.396 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -160.58 105.99 1.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.404 -174.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 p -149.08 145.98 17.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.697 -177.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 53.1 ttp -130.89 104.74 7.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.974 0.416 . . . . 0.0 109.948 -178.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.831 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . . . -87.56 141.02 28.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.234 -179.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.589 HG22 ' HA ' ' A' ' 47' ' ' VAL . 20.6 p -104.38 169.57 8.4 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.405 -176.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.55 ' HB2' ' HB2' ' A' ' 48' ' ' SER . 32.3 ttpt -80.92 -7.88 59.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.363 0.601 . . . . 0.0 110.142 -177.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -101.02 7.52 43.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.628 175.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.84 26.1 54.4 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.799 -0.637 . . . . 0.0 113.536 174.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -98.52 130.31 45.1 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 176.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -96.42 94.83 7.64 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.767 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.8 mt -92.83 134.32 31.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.58 -176.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -89.72 142.06 28.04 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' A' ' 33' ' ' HIS . 17.6 p -135.82 176.01 9.07 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.884 -177.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -102.28 18.2 21.54 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 106.865 -1.532 . . . . 0.0 106.865 165.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.99 -159.48 37.71 Favored Glycine 0 CA--C 1.503 -0.706 0 CA-C-N 112.811 -1.995 . . . . 0.0 109.85 -173.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.0 mttm 65.74 51.0 0.79 Allowed Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 155.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.491 ' HG3' HD13 ' A' ' 50' ' ' ILE . 89.3 Cg_endo -81.05 140.4 12.49 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.845 1.696 . . . . 0.0 112.349 -178.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -106.05 112.32 25.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.21 177.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.581 HG12 HG22 ' A' ' 30' ' ' VAL . 52.9 mt -91.71 109.73 21.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 CA-C-O 121.255 0.55 . . . . 0.0 109.947 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -74.81 95.12 2.86 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.281 178.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -78.89 -1.94 37.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.445 -170.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -71.63 -32.1 67.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.002 0.43 . . . . 0.0 110.394 174.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.614 HG23 ' HG ' ' A' ' 29' ' ' LEU . 2.8 t -127.49 -32.03 2.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.544 -176.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' A' ' 44' ' ' ARG . . . 104.5 36.2 3.12 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.415 -0.898 . . . . 0.0 111.739 -175.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.614 ' HG ' HG23 ' A' ' 27' ' ' THR . 80.3 mt -104.8 167.73 9.53 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 176.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.581 HG22 HG12 ' A' ' 23' ' ' ILE . 77.9 t -135.5 116.86 19.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.813 0.339 . . . . 0.0 110.394 -178.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.01 119.47 32.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.388 177.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.508 ' O ' ' HA ' ' A' ' 39' ' ' ALA . 7.1 p90 -135.31 171.63 14.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.543 -176.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.535 ' HA ' ' O ' ' A' ' 38' ' ' ASN . 37.4 m80 -114.79 140.29 49.03 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 175.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.88 -174.81 4.64 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.118 169.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -70.83 2.31 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.678 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -98.83 -2.56 37.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.011 0.434 . . . . 0.0 110.21 177.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.65 16.45 80.64 Favored Glycine 0 C--N 1.331 0.269 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -175.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.535 ' O ' ' HA ' ' A' ' 33' ' ' HIS . 12.7 p-10 -94.41 133.22 38.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.909 -0.646 . . . . 0.0 110.608 -177.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.508 ' HA ' ' O ' ' A' ' 32' ' ' TYR . . . -96.12 116.98 29.81 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.198 -177.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.3 mtm -121.4 169.44 10.61 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.08 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.453 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 38.7 tt0 -129.77 128.41 42.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.961 0.41 . . . . 0.0 110.724 -173.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.625 HD11 ' HB3' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -134.35 140.9 44.99 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.48 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.534 -175.731 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.427 ' OD1' ' HB2' ' A' ' 45' ' ' ASP . 26.5 t-20 -66.02 136.81 56.55 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 122.384 -0.197 . . . . 0.0 111.283 -177.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -66.61 -8.99 30.98 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -170.871 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.427 ' HB2' ' OD1' ' A' ' 43' ' ' ASN . 0.9 OUTLIER -79.65 -11.11 59.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.967 0.413 . . . . 0.0 110.699 176.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.625 ' HB3' HD11 ' A' ' 42' ' ' ILE . 13.4 t70 -86.65 -45.95 10.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.996 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.589 ' HA ' HG22 ' A' ' 9' ' ' THR . 6.8 m -70.46 163.86 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-O 120.936 0.398 . . . . 0.0 111.319 178.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.55 ' HB2' ' HB2' ' A' ' 10' ' ' LYS . 36.2 t -157.55 -69.83 0.1 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.041 -179.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.831 ' HB2' ' HB3' ' A' ' 8' ' ' ALA . 26.2 mt-30 -93.82 98.47 11.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.254 0.549 . . . . 0.0 111.621 -174.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.491 HD13 ' HG3' ' A' ' 21' ' ' PRO . 13.7 tt -144.16 -45.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.794 171.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 13.1 tt -87.06 -24.05 6.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.211 0.529 . . . . 0.0 109.979 175.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -88.57 -1.72 58.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.464 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.129 -178.251 . . . . . . . . 0 0 . 1 stop_ save_