data_5tbn_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 5tbn _Structure_validation_residue.Date_analyzed 2016-10-15 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.996 0 N-CA-C 112.164 -0.374 . . . . 0.0 112.164 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 48.8 m80 -62.75 -20.03 64.56 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -170.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -33.8 76.62 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 53.03 13.96 0.42 Allowed 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -168.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.17 6.25 1.75 Allowed 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 129.531 3.132 . . . . 0.0 114.854 -168.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -87.29 153.59 21.35 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.415 1.886 . . . . 0.0 112.643 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -92.09 114.17 26.64 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.65 0.78 . . . . 0.0 110.399 169.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -125.53 157.85 36.01 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 126.269 1.827 . . . . 0.0 112.308 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -67.3 102.39 1.07 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.067 1.347 . . . . 0.0 107.589 172.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.2 t -133.47 108.41 12.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.991 1.317 . . . . 0.0 110.908 -169.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.6 t -74.57 100.68 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 120.943 -1.098 . . . . 0.0 109.198 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -128.35 89.82 2.97 Favored 'General case' 0 CA--C 1.511 -0.535 0 C-N-CA 125.481 1.512 . . . . 0.0 109.133 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.7 t -92.02 160.23 15.34 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 124.7 1.25 . . . . 0.0 111.879 170.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -54.53 -16.57 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 125.097 1.359 . . . . 0.0 113.612 169.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.3 m -71.05 -15.7 62.56 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 126.161 1.784 . . . . 0.0 110.82 177.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 50.8 38.04 18.58 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.559 2.344 . . . . 0.0 112.968 -172.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.52 138.75 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 127.09 2.156 . . . . 0.0 108.83 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -86.69 7.73 25.4 Favored 'General case' 0 CA--C 1.56 1.339 0 C-N-CA 123.794 0.838 . . . . 0.0 112.509 169.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.82 149.29 36.4 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 126.621 1.969 . . . . 0.0 110.757 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.24 119.22 38.83 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-O 124.911 2.291 . . . . 0.0 112.615 173.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -74.62 177.8 5.82 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 109.847 -3.342 . . . . 0.0 108.807 167.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -57.59 -33.74 68.5 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.705 1.202 . . . . 0.0 113.2 172.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -126.08 134.88 51.25 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.042 1.737 . . . . 0.0 114.08 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.8 mtp -137.61 151.97 48.88 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.583 1.553 . . . . 0.0 113.025 169.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.5 mt -131.2 156.82 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 125.818 1.647 . . . . 0.0 109.152 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -109.33 135.26 50.69 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.232 1.013 . . . . 0.0 111.291 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 46.9 t -65.44 132.38 48.8 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 124.252 1.021 . . . . 0.0 110.58 171.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -72.19 -18.68 61.84 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -90.99 -52.38 4.87 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -173.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.525 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 16.6 p -114.86 4.78 14.97 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 116.18 1.918 . . . . 0.0 116.18 -178.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.88 5.11 5.08 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 116.741 2.126 . . . . 0.0 116.741 177.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.525 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 26.9 p -75.83 150.1 37.73 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 120.051 -1.656 . . . . 0.0 112.186 -175.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -102.53 144.4 31.01 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 125.705 1.602 . . . . 0.0 113.869 -176.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.409 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.3 mp0 -143.09 161.26 38.65 Favored 'General case' 0 CA--C 1.496 -1.13 0 O-C-N 121.211 -0.931 . . . . 0.0 110.48 -177.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -72.66 118.4 15.54 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 168.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.61 -35.76 74.98 Favored Glycine 0 CA--C 1.522 0.476 0 C-N-CA 118.812 -1.661 . . . . 0.0 114.102 -176.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.84 -18.2 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 122.149 -0.618 . . . . 0.0 112.103 -177.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 90.5 m -80.34 -29.73 38.03 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.527 1.531 . . . . 0.0 112.743 170.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.8 mmt -95.56 -7.96 36.43 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.429 2.291 . . . . 0.0 113.044 -175.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.21 27.63 43.77 Favored Glycine 0 C--N 1.343 0.944 0 C-N-CA 126.103 1.811 . . . . 0.0 114.348 -176.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.16 151.37 50.76 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 122.356 1.074 . . . . 0.0 110.429 178.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.58 167.06 19.33 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 129.462 3.105 . . . . 0.0 107.783 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.42 -24.77 57.56 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 171.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -67.22 -38.09 84.67 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 170.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -100.78 0.84 39.52 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 115.421 1.637 . . . . 0.0 115.421 -170.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.8 t -54.0 113.0 4.38 Favored Pre-proline 0 N--CA 1.488 1.437 0 CA-C-N 120.895 1.679 . . . . 0.0 109.988 -169.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -77.94 167.83 23.04 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.468 2.112 . . . . 0.0 111.336 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -72.79 -31.81 65.12 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.22 -0.925 . . . . 0.0 109.637 175.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -132.87 82.66 2.01 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 125.043 1.337 . . . . 0.0 113.979 175.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.11 124.87 31.59 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 167.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.0 137.59 33.85 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 126.241 1.816 . . . . 0.0 111.272 169.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 p -93.51 148.49 22.03 Favored 'General case' 0 C--O 1.212 -0.914 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.018 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -40.27 -37.83 0.7 Allowed 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 117.554 2.427 . . . . 0.0 117.554 170.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.1 -30.48 47.82 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 O-C-N 120.474 -1.391 . . . . 0.0 111.644 173.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 82.6 m -94.45 -62.71 1.28 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.421 1.889 . . . . 0.0 112.572 169.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -82.15 -30.95 30.77 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 117.117 2.266 . . . . 0.0 117.117 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.2 t0 . . . . . 0 C--O 1.255 1.36 0 C-N-CA 126.594 1.958 . . . . 0.0 110.915 -168.422 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.852 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -58.18 151.0 20.05 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 120.24 1.382 . . . . 0.0 110.752 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p -145.83 153.44 40.9 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.331 0 C-N-CA 125.686 1.594 . . . . 0.0 110.348 -174.704 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -137.12 151.45 48.87 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.608 1.163 . . . . 0.0 111.488 177.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 14.6 t -151.95 165.61 34.06 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.216 1.006 . . . . 0.0 112.015 173.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.11 -37.36 0.1 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.928 1.291 . . . . 0.0 113.672 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -150.44 172.32 15.63 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.74 1.616 . . . . 0.0 112.592 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -58.06 161.8 3.84 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.066 1.346 . . . . 0.0 113.055 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 87.3 p -74.62 3.1 8.34 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 116.628 2.085 . . . . 0.0 116.628 -170.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 74.4 p -66.39 141.75 57.84 Favored 'General case' 0 C--O 1.255 1.387 0 C-N-CA 125.256 1.423 . . . . 0.0 114.698 -175.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.253 -3.591 0 O-C-N 122.131 -0.356 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.056 0 N-CA-C 111.939 -0.464 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -62.98 -18.13 62.89 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 -170.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 20.0 ptp -64.05 -34.92 79.11 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 51.53 11.91 0.14 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.834 1.254 . . . . 0.0 114.113 -168.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.2 7.69 1.74 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 129.596 3.158 . . . . 0.0 114.791 -169.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -87.36 151.51 23.03 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.239 1.815 . . . . 0.0 112.698 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -92.13 114.47 27.02 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.991 0.917 . . . . 0.0 110.508 169.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -120.64 156.56 31.44 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.113 1.765 . . . . 0.0 112.335 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.66 102.87 1.97 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.31 1.444 . . . . 0.0 107.157 173.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.9 t -134.26 109.1 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.767 1.227 . . . . 0.0 111.202 -169.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.6 t -74.41 99.8 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 O-C-N 120.933 -1.104 . . . . 0.0 108.996 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -126.91 89.76 3.04 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 125.368 1.467 . . . . 0.0 109.186 178.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.0 t -92.03 159.86 15.51 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 124.647 1.217 . . . . 0.0 111.917 170.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -54.26 -16.94 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 125.053 1.341 . . . . 0.0 113.677 169.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.0 m -71.0 -15.26 62.56 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 126.434 1.894 . . . . 0.0 110.984 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 50.45 37.9 16.89 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 127.819 2.448 . . . . 0.0 112.98 -172.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.37 138.33 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 127.191 2.196 . . . . 0.0 108.849 177.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -86.47 8.06 23.38 Favored 'General case' 0 CA--C 1.562 1.412 0 C-N-CA 123.687 0.795 . . . . 0.0 112.577 169.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.45 149.86 32.91 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.673 1.989 . . . . 0.0 110.775 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.55 118.74 37.39 Favored 'General case' 0 N--CA 1.434 -1.26 0 CA-C-O 124.805 2.24 . . . . 0.0 112.745 172.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -74.43 178.21 5.41 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 109.934 -3.303 . . . . 0.0 109.083 167.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -57.77 -33.89 69.0 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.932 1.293 . . . . 0.0 113.084 172.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -126.8 134.8 50.49 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.946 1.698 . . . . 0.0 114.042 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.1 mtp -136.74 151.9 49.74 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.328 1.451 . . . . 0.0 113.008 169.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.29 157.23 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 C-N-CA 125.863 1.665 . . . . 0.0 109.214 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.401 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 21.6 tt0 -109.62 135.9 49.86 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.028 0.931 . . . . 0.0 111.11 178.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.1 t -65.6 131.89 47.48 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 124.275 1.03 . . . . 0.0 110.718 171.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -71.69 -18.52 62.16 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -91.57 -52.08 4.95 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -173.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.53 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 16.3 p -114.76 4.76 15.06 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 116.099 1.888 . . . . 0.0 116.099 -177.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.41 5.21 5.02 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 116.541 2.052 . . . . 0.0 116.541 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.53 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 28.1 p -75.98 150.38 37.45 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 119.735 -1.853 . . . . 0.0 112.133 -175.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.401 ' CE2' ' HB2' ' A' ' 22' ' ' GLN . 66.2 m95 -102.61 144.61 30.79 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.546 1.538 . . . . 0.0 113.845 -176.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.414 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.1 mp0 -143.66 160.22 41.07 Favored 'General case' 0 CA--C 1.497 -1.065 0 O-C-N 121.033 -1.042 . . . . 0.0 110.423 -177.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -72.09 118.44 14.97 Favored 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 169.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.35 -35.75 73.03 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 118.705 -1.712 . . . . 0.0 114.225 -176.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.4 -18.28 23.16 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 O-C-N 122.079 -0.659 . . . . 0.0 112.071 -176.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 93.3 m -80.24 -29.4 38.41 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.72 1.608 . . . . 0.0 112.895 170.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.8 mmt -95.33 -7.93 37.25 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 127.399 2.28 . . . . 0.0 113.111 -176.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.74 27.12 47.85 Favored Glycine 0 C--N 1.341 0.849 0 C-N-CA 125.969 1.747 . . . . 0.0 114.456 -176.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.83 151.25 50.61 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 122.288 1.042 . . . . 0.0 110.414 178.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.35 166.82 19.61 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 129.343 3.057 . . . . 0.0 107.751 178.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.25 -24.88 57.67 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 171.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -66.82 -38.02 85.63 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 170.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -100.94 1.14 39.49 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 -170.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.1 t -54.27 112.96 4.43 Favored Pre-proline 0 N--CA 1.487 1.393 0 CA-C-N 120.941 1.7 . . . . 0.0 110.217 -169.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -78.89 165.34 24.47 Favored 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 122.443 2.095 . . . . 0.0 111.509 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.2 mp0 -69.97 -33.46 72.12 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 124.139 0.976 . . . . 0.0 109.601 176.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -132.99 82.2 1.98 Allowed 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 125.104 1.362 . . . . 0.0 114.092 174.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.4 125.54 32.42 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.115 167.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.7 p -95.61 138.17 33.66 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 125.651 1.58 . . . . 0.0 110.979 169.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.6 p -90.98 144.76 25.33 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-O 117.371 -1.3 . . . . 0.0 108.749 -176.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.488 ' HA ' ' H ' ' A' ' 53' ' ' ASP . 7.3 p90 -34.39 -44.81 0.2 Allowed 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 115.917 1.821 . . . . 0.0 115.917 169.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.4 t -58.22 -31.71 42.83 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 O-C-N 120.07 -1.644 . . . . 0.0 112.129 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.8 m -91.24 -60.9 1.78 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.866 1.666 . . . . 0.0 111.613 168.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.31 -59.16 2.85 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 116.174 1.916 . . . . 0.0 116.174 -178.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.488 ' H ' ' HA ' ' A' ' 49' ' ' TYR . 47.8 t0 . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 118.303 2.705 . . . . 0.0 118.303 -175.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.816 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 16.6 ttm-85 -59.19 151.73 22.22 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 120.248 1.385 . . . . 0.0 110.675 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 1.5 p -146.01 153.68 41.03 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.322 0 C-N-CA 125.418 1.487 . . . . 0.0 110.442 -174.187 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -139.02 149.46 44.68 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.226 1.41 . . . . 0.0 110.808 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 34.5 p -69.95 151.69 45.32 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.713 0.805 . . . . 0.0 112.416 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -149.58 164.62 34.61 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.464 1.506 . . . . 0.0 112.421 -177.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 65.82 149.81 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 127.977 2.511 . . . . 0.0 114.149 -175.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -66.94 155.0 39.68 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.764 1.226 . . . . 0.0 112.111 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 24.5 m -64.01 151.8 41.9 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.764 1.226 . . . . 0.0 113.086 178.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 35.3 p -67.35 -42.03 84.16 Favored 'General case' 0 C--O 1.253 1.241 0 C-N-CA 125.182 1.393 . . . . 0.0 113.293 173.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.255 -3.526 0 CA-C-N 119.59 1.086 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.0 0 N-CA-C 112.408 -0.277 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -73.41 -27.58 61.53 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 -175.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -35.16 71.4 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 115.978 1.844 . . . . 0.0 115.978 -169.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 50.57 14.63 0.18 Allowed 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -169.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.276 0.0 OUTLIER 59.22 -3.05 0.1 Allowed 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 130.011 3.324 . . . . 0.0 115.938 179.558 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -87.23 148.42 25.14 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 128.29 2.636 . . . . 0.0 112.61 170.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -92.98 114.38 26.93 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.171 0.589 . . . . 0.0 109.539 169.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -130.99 156.55 44.92 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.856 1.662 . . . . 0.0 112.448 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -68.87 102.22 1.52 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.219 1.407 . . . . 0.0 107.436 174.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.8 t -133.14 108.27 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 125.08 1.352 . . . . 0.0 110.72 -168.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.8 t -74.87 100.28 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 122.108 0.956 . . . . 0.0 109.073 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -128.33 90.03 3.01 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 125.47 1.508 . . . . 0.0 109.194 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.8 t -92.13 160.65 15.09 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 124.513 1.133 . . . . 0.0 111.957 170.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -54.48 -16.72 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 125.402 1.481 . . . . 0.0 113.484 168.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.9 m -71.38 -15.44 62.37 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 126.073 1.749 . . . . 0.0 110.988 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 50.8 37.78 17.88 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.595 2.358 . . . . 0.0 113.13 -172.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.5 p -126.3 139.23 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 126.947 2.099 . . . . 0.0 108.853 177.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -86.83 8.03 24.56 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 123.818 0.847 . . . . 0.0 112.499 169.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.76 149.29 36.11 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 126.849 2.06 . . . . 0.0 110.636 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.63 118.84 37.64 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-O 124.516 2.103 . . . . 0.0 112.677 172.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -74.81 179.45 4.84 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 110.377 -3.101 . . . . 0.0 111.031 168.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.77 -14.97 60.91 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.206 1.403 . . . . 0.0 113.491 169.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -141.46 136.87 31.7 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 170.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 20.6 mtp -137.71 151.56 48.34 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.689 1.595 . . . . 0.0 113.274 169.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.6 mt -131.82 157.46 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 126.18 1.792 . . . . 0.0 109.076 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -109.16 136.01 49.34 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.327 1.051 . . . . 0.0 111.596 177.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.5 t -65.82 132.74 49.42 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.595 1.158 . . . . 0.0 110.619 171.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -72.84 -18.58 61.43 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 178.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -90.79 -51.96 5.11 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.24 0.829 . . . . 0.0 113.24 -173.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.531 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 17.0 p -114.93 4.16 14.73 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -178.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.94 5.79 5.43 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 116.792 2.145 . . . . 0.0 116.792 178.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.531 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 26.8 p -76.33 150.32 36.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 119.992 -1.693 . . . . 0.0 112.222 -175.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -102.71 143.93 31.73 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 125.741 1.616 . . . . 0.0 113.738 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.414 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.4 mp0 -143.46 159.9 41.55 Favored 'General case' 0 CA--C 1.495 -1.137 0 O-C-N 121.283 -0.885 . . . . 0.0 110.458 -176.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -70.71 117.6 12.44 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 169.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.04 -39.24 89.32 Favored Glycine 0 N--CA 1.461 0.359 0 C-N-CA 118.934 -1.603 . . . . 0.0 113.936 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.91 -23.47 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.458 0.703 . . . . 0.0 112.743 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.8 m -75.99 -30.41 58.55 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.828 1.251 . . . . 0.0 112.76 171.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.1 mmt -95.04 -7.8 38.57 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 127.599 2.36 . . . . 0.0 113.455 -175.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.93 27.31 46.24 Favored Glycine 0 C--N 1.344 0.985 0 C-N-CA 126.306 1.908 . . . . 0.0 114.515 -176.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.11 152.16 49.85 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 122.321 1.057 . . . . 0.0 110.536 178.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.39 166.79 19.71 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 129.46 3.104 . . . . 0.0 107.9 178.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.6 -24.18 54.93 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 171.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -67.92 -38.17 82.59 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 170.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -100.28 1.62 41.87 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -170.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.8 t -54.21 112.89 4.34 Favored Pre-proline 0 N--CA 1.49 1.533 0 CA-C-N 120.737 1.608 . . . . 0.0 110.17 -169.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -78.05 167.78 22.95 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 122.163 1.908 . . . . 0.0 111.193 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -73.82 -31.42 63.22 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.352 -0.843 . . . . 0.0 109.516 174.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -131.53 81.74 2.0 Allowed 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 174.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.03 124.93 31.6 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.522 -1.217 . . . . 0.0 107.8 167.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.29 137.75 33.92 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 125.959 1.704 . . . . 0.0 111.193 170.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.0 p -93.72 148.35 22.2 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-O 118.426 -0.797 . . . . 0.0 109.609 -176.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -40.24 -37.96 0.71 Allowed 'General case' 0 CA--C 1.553 1.077 0 N-CA-C 117.571 2.434 . . . . 0.0 117.571 170.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.71 -31.09 48.39 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 O-C-N 120.36 -1.463 . . . . 0.0 111.567 173.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 85.4 m -93.85 -63.26 1.22 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.629 1.972 . . . . 0.0 112.455 169.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -81.88 -30.65 31.86 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 117.291 2.33 . . . . 0.0 117.291 -175.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.7 t0 . . . . . 0 C--O 1.258 1.543 0 C-N-CA 126.542 1.937 . . . . 0.0 111.169 -168.213 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.831 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -59.77 151.0 26.44 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 120.359 1.436 . . . . 0.0 110.933 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p -146.16 154.86 42.26 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.747 1.219 . . . . 0.0 112.883 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.629 0 N-CA-C 118.644 2.831 . . . . 0.0 118.644 -169.396 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 53.11 16.95 0.85 Allowed 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 -177.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 57.6 m 51.88 59.89 4.23 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.373 1.469 . . . . 0.0 111.595 -177.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.5 154.74 31.45 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.323 1.049 . . . . 0.0 113.149 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -71.24 -17.14 62.51 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -174.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.0 138.64 58.62 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.728 1.211 . . . . 0.0 111.898 -177.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 17.8 t -153.62 161.16 42.43 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.275 1.43 . . . . 0.0 111.603 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 79.1 m -71.82 -56.83 5.03 Favored 'General case' 0 C--O 1.251 1.182 0 C-N-CA 125.26 1.424 . . . . 0.0 111.951 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.256 -3.5 0 CA-C-N 119.088 0.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.005 0 N-CA-C 112.369 -0.293 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 40.9 t60 57.3 35.44 26.08 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.952 1.701 . . . . 0.0 114.495 176.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 18.0 ptm -67.52 -35.78 79.75 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.474 1.286 . . . . 0.0 114.474 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 47.97 12.22 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 -168.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.97 10.0 1.06 Allowed 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 128.985 2.914 . . . . 0.0 114.602 -169.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -87.19 154.84 20.41 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.272 1.829 . . . . 0.0 114.188 -173.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -86.91 114.04 23.21 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.036 1.734 . . . . 0.0 110.161 169.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -120.69 160.74 22.69 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.29 1.836 . . . . 0.0 113.269 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -66.89 102.75 1.01 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.169 1.788 . . . . 0.0 108.467 175.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.4 t -133.25 108.13 12.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.034 1.334 . . . . 0.0 111.225 -169.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.1 t -74.8 99.95 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 O-C-N 120.86 -1.15 . . . . 0.0 109.361 -177.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.9 mtt85 -127.77 90.04 3.04 Favored 'General case' 0 CA--C 1.51 -0.593 0 C-N-CA 125.534 1.534 . . . . 0.0 109.29 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.1 t -92.26 160.15 15.28 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 124.556 1.16 . . . . 0.0 111.732 170.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -54.64 -16.83 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 C-N-CA 125.059 1.344 . . . . 0.0 113.554 168.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.8 m -71.13 -15.08 62.48 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 126.213 1.805 . . . . 0.0 110.802 177.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 50.84 37.85 18.27 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 127.827 2.451 . . . . 0.0 113.056 -172.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.44 138.89 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 127.177 2.191 . . . . 0.0 108.882 177.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -86.94 7.98 25.12 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 123.764 0.826 . . . . 0.0 112.547 169.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -61.22 149.77 36.63 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 126.954 2.102 . . . . 0.0 110.69 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.75 116.56 31.91 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-O 125.928 2.775 . . . . 0.0 113.893 174.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -73.72 172.45 11.44 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 109.605 -3.452 . . . . 0.0 107.418 167.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -59.34 -32.95 70.56 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.442 0.905 . . . . 0.0 113.442 175.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -118.38 134.93 54.65 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.778 1.631 . . . . 0.0 114.561 172.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.2 mtp -137.66 152.52 49.4 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.71 1.604 . . . . 0.0 112.854 169.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.5 mt -131.48 157.14 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 125.961 1.704 . . . . 0.0 109.223 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.41 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 22.7 tt0 -109.2 136.03 49.35 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.083 0.953 . . . . 0.0 111.548 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.2 t -65.95 133.17 50.29 Favored 'General case' 0 CA--C 1.519 -0.215 0 C-N-CA 124.409 1.084 . . . . 0.0 110.526 171.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -73.29 -18.17 61.24 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -91.29 -52.02 5.01 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -173.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.526 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 17.2 p -114.43 3.89 15.12 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 -177.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.69 5.52 5.25 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 116.799 2.148 . . . . 0.0 116.799 178.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.526 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 27.2 p -75.92 150.06 37.6 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 119.944 -1.723 . . . . 0.0 112.197 -175.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.41 ' CE2' ' HB2' ' A' ' 22' ' ' GLN . 65.6 m95 -102.56 144.43 30.99 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 125.591 1.557 . . . . 0.0 113.929 -176.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.412 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.1 mp0 -143.11 160.75 39.82 Favored 'General case' 0 CA--C 1.498 -1.056 0 O-C-N 121.25 -0.906 . . . . 0.0 110.384 -177.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.1 m80 -72.17 118.06 14.57 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 168.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.41 -35.79 73.66 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 118.554 -1.784 . . . . 0.0 114.27 -176.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.76 -18.31 23.58 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 O-C-N 122.165 -0.609 . . . . 0.0 112.414 -177.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 88.1 m -79.91 -29.75 39.91 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.631 1.572 . . . . 0.0 112.741 170.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.8 mmt -95.35 -7.98 37.04 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 127.408 2.283 . . . . 0.0 113.291 -175.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.97 27.38 45.81 Favored Glycine 0 C--N 1.343 0.919 0 C-N-CA 125.951 1.739 . . . . 0.0 114.397 -176.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.93 150.82 51.05 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.346 1.059 . . . . 0.0 110.64 178.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.3 166.84 19.53 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 129.424 3.09 . . . . 0.0 107.783 178.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.09 -24.61 55.23 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 171.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -67.2 -38.07 84.71 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 170.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -101.3 1.34 38.6 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -170.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.1 t -54.09 113.05 4.49 Favored Pre-proline 0 N--CA 1.488 1.471 0 CA-C-N 120.817 1.644 . . . . 0.0 109.992 -169.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -78.3 167.74 22.65 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 C-N-CA 122.508 2.138 . . . . 0.0 111.359 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.54 -31.86 63.89 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.383 -0.823 . . . . 0.0 109.77 174.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -131.47 81.26 1.97 Allowed 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 174.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.16 124.62 31.35 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.594 -1.184 . . . . 0.0 107.836 167.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 p -95.57 139.83 31.27 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 125.978 1.711 . . . . 0.0 110.272 169.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 p -93.88 147.23 23.28 Favored 'General case' 0 C--O 1.211 -0.958 0 CA-C-O 117.626 -1.178 . . . . 0.0 110.08 -177.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -36.95 -39.01 0.2 Allowed 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 117.3 2.334 . . . . 0.0 117.3 169.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.6 t -60.87 -30.07 46.63 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.073 0 O-C-N 120.341 -1.474 . . . . 0.0 112.074 173.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 69.5 m -96.67 -61.46 1.41 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 127.324 2.25 . . . . 0.0 113.461 169.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -74.28 -36.46 63.8 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 115.578 1.696 . . . . 0.0 115.578 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.0 t0 . . . . . 0 C--O 1.256 1.442 0 C-N-CA 126.931 2.093 . . . . 0.0 113.934 -172.468 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.794 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -59.81 150.98 26.63 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-N 120.376 1.444 . . . . 0.0 110.535 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 1.4 p -144.87 153.04 41.17 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.279 0 C-N-CA 125.946 1.698 . . . . 0.0 110.038 -175.279 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -134.46 133.6 40.63 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.02 0.928 . . . . 0.0 111.098 174.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 47.9 m -87.86 119.42 28.19 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.394 0.678 . . . . 0.0 111.285 -177.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.94 149.54 43.3 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.795 0.838 . . . . 0.0 112.1 172.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -125.04 161.3 27.04 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.564 1.546 . . . . 0.0 111.829 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 55.91 33.83 22.41 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.362 1.865 . . . . 0.0 114.015 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 18.0 t -69.72 153.21 43.69 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.26 1.024 . . . . 0.0 112.196 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 37.4 p -67.12 -50.82 60.08 Favored 'General case' 0 C--O 1.255 1.347 0 C-N-CA 125.628 1.571 . . . . 0.0 113.663 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.254 -3.549 0 CA-C-N 119.797 1.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.076 0 N-CA-C 112.081 -0.408 . . . . 0.0 112.081 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -73.17 -21.93 60.59 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -174.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -34.54 78.69 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 -173.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 50.68 13.9 0.15 Allowed 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -169.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.89 8.99 1.06 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 128.896 2.878 . . . . 0.0 114.532 -169.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -87.35 155.71 19.93 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.546 1.938 . . . . 0.0 113.605 -175.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -91.41 114.72 27.32 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.406 1.083 . . . . 0.0 110.258 169.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -120.35 161.72 20.68 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.127 1.771 . . . . 0.0 112.688 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -61.84 108.2 0.97 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.742 1.217 . . . . 0.0 109.831 169.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 50.6 t -138.84 109.58 4.77 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.573 0 CA-C-N 114.489 -1.232 . . . . 0.0 109.62 -172.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 80.5 t -74.66 98.57 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -126.16 89.71 3.06 Favored 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 125.357 1.463 . . . . 0.0 109.335 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.4 t -91.86 159.78 15.62 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 124.536 1.148 . . . . 0.0 111.943 169.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 pp -54.29 -16.55 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 125.132 1.373 . . . . 0.0 113.714 169.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.8 m -70.92 -15.44 62.61 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 126.058 1.743 . . . . 0.0 110.815 176.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 51.21 37.65 19.04 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.917 2.487 . . . . 0.0 112.893 -172.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.53 138.32 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 126.964 2.106 . . . . 0.0 109.205 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -86.16 8.28 21.62 Favored 'General case' 0 CA--C 1.561 1.372 0 C-N-CA 123.932 0.893 . . . . 0.0 112.739 170.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -61.87 150.87 36.14 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 126.807 2.043 . . . . 0.0 110.508 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.03 117.6 34.6 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-O 124.585 2.136 . . . . 0.0 112.661 172.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -74.25 176.51 6.59 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 110.122 -3.217 . . . . 0.0 109.469 167.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -58.68 -23.52 59.56 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.709 1.204 . . . . 0.0 113.674 173.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -135.92 138.52 42.47 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.384 1.474 . . . . 0.0 113.62 175.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.2 mtp -138.2 152.58 48.77 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 125.716 1.607 . . . . 0.0 113.52 169.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.3 mt -131.91 158.18 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 126.305 1.842 . . . . 0.0 109.172 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.406 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 26.1 tt0 -109.36 136.66 48.43 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.188 0.995 . . . . 0.0 111.466 177.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.8 t -66.68 131.76 46.68 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 124.246 1.019 . . . . 0.0 110.45 171.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -71.48 -18.58 62.29 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -91.51 -52.25 4.87 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -173.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.54 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 16.7 p -114.73 4.93 15.14 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 -177.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.51 5.07 4.97 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 177.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.54 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 26.8 p -75.3 150.81 38.4 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 120.251 -1.53 . . . . 0.0 112.416 -176.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.406 ' CE2' ' HB2' ' A' ' 22' ' ' GLN . 66.8 m95 -103.1 143.72 32.24 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 125.457 1.503 . . . . 0.0 113.429 -176.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.415 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.4 mp0 -142.76 160.88 39.46 Favored 'General case' 0 CA--C 1.496 -1.107 0 O-C-N 121.041 -1.037 . . . . 0.0 110.7 -177.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -71.72 119.03 15.31 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 169.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.78 -35.15 73.34 Favored Glycine 0 C--O 1.228 -0.239 0 C-N-CA 118.464 -1.827 . . . . 0.0 114.183 -177.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.3 p -68.68 -19.04 23.79 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 O-C-N 122.035 -0.685 . . . . 0.0 111.978 -176.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 97.3 m -80.06 -28.37 39.24 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.674 1.59 . . . . 0.0 112.564 171.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 29.5 mmt -97.44 -6.82 33.05 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.423 2.289 . . . . 0.0 113.12 -176.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.51 23.43 47.19 Favored Glycine 0 C--N 1.343 0.944 0 C-N-CA 126.105 1.812 . . . . 0.0 114.849 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.75 152.0 49.72 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.465 1.106 . . . . 0.0 110.132 -177.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mt -128.88 167.92 16.69 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 130.321 3.448 . . . . 0.0 107.017 177.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.05 -26.17 59.9 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 171.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -68.23 -38.87 82.32 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 171.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -95.97 0.49 51.85 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 117.389 -1.291 . . . . 0.0 114.448 -171.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.4 t -54.61 113.12 4.76 Favored Pre-proline 0 N--CA 1.486 1.37 0 CA-C-N 120.507 1.503 . . . . 0.0 110.046 -169.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -78.04 167.2 23.85 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 122.294 1.996 . . . . 0.0 111.563 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.82 -30.13 62.53 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.233 -0.917 . . . . 0.0 109.696 175.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -132.43 81.46 1.96 Allowed 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 174.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.25 124.52 31.3 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 167.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.21 138.02 33.48 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 126.423 1.889 . . . . 0.0 111.0 169.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.5 p -93.28 148.11 22.33 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-O 118.384 -0.817 . . . . 0.0 109.749 -176.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -40.35 -37.53 0.68 Allowed 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 117.585 2.439 . . . . 0.0 117.585 170.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.15 -30.43 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 O-C-N 120.206 -1.559 . . . . 0.0 111.819 172.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.8 m -94.23 -63.02 1.23 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.474 1.91 . . . . 0.0 112.525 169.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -82.37 -30.75 30.12 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 117.128 2.27 . . . . 0.0 117.128 -175.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.6 t0 . . . . . 0 C--O 1.258 1.534 0 C-N-CA 126.628 1.971 . . . . 0.0 111.102 -168.29 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -61.72 152.57 30.75 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 120.261 1.391 . . . . 0.0 110.567 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p -146.9 152.64 39.01 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.902 1.281 . . . . 0.0 112.355 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.539 0 N-CA-C 116.603 2.075 . . . . 0.0 116.603 -169.536 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.3 20.62 2.75 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 173.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 39.2 p 51.35 18.98 0.7 Allowed 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 127.167 2.187 . . . . 0.0 115.416 -171.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . 54.34 19.96 2.49 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.561 1.945 . . . . 0.0 114.857 -171.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' ARG . . . . . 0.902 ' HE ' ' HN2' ' C' ' 12' ' ' NH2 . 76.3 ttt180 -64.78 138.44 58.38 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.015 1.326 . . . . 0.0 112.162 -177.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -77.94 -165.2 0.61 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.98 1.712 . . . . 0.0 111.674 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 78.0 p -65.87 -23.23 66.61 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 121.103 -0.998 . . . . 0.0 113.546 173.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' THR . . . . . 0.479 ' HG1' ' HN1' ' C' ' 12' ' ' NH2 . 41.3 p -72.16 -58.67 3.23 Favored 'General case' 0 C--O 1.253 1.257 0 C-N-CA 126.611 1.964 . . . . 0.0 113.045 174.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' NH2 . . . . . 0.902 ' HN2' ' HE ' ' C' ' 8' ' ' ARG . . . . . . . . 0 C--N 1.251 -3.676 0 CA-C-N 119.781 1.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.856 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 33.1 m80 59.18 30.64 20.45 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.686 1.595 . . . . 0.0 115.131 169.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 22.0 ptp -66.53 -34.3 77.61 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . 0.406 ' C ' ' H ' ' A' ' 2' ' ' TYR . 76.3 m-20 49.98 10.92 0.05 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 128.07 2.548 . . . . 0.0 117.375 -169.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.261 0.0 OUTLIER 59.05 -1.17 0.12 Allowed 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 129.365 3.066 . . . . 0.0 115.84 173.113 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.406 ' H ' ' C ' ' A' ' 0' ' ' ASP . 8.7 m-85 -87.16 146.85 25.86 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 127.926 2.49 . . . . 0.0 113.155 176.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -92.2 114.57 27.15 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.007 0.923 . . . . 0.0 109.774 169.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -128.69 158.06 39.63 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.918 1.687 . . . . 0.0 112.332 -177.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.402 ' CD ' HH12 ' C' ' 2' ' ' ARG . 0.3 OUTLIER -66.88 103.17 1.07 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.149 1.379 . . . . 0.0 107.643 175.163 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.9 t -135.76 108.12 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.443 1.097 . . . . 0.0 110.392 -169.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.3 t -74.45 99.44 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 O-C-N 120.953 -1.092 . . . . 0.0 108.668 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -126.69 89.76 3.05 Favored 'General case' 0 CA--C 1.51 -0.563 0 C-N-CA 125.168 1.387 . . . . 0.0 109.158 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.3 t -92.23 160.0 15.36 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 124.486 1.116 . . . . 0.0 111.565 170.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -54.29 -16.52 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 125.233 1.413 . . . . 0.0 113.803 169.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.2 m -70.88 -15.57 62.63 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 126.065 1.746 . . . . 0.0 110.854 176.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 51.08 37.58 18.4 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.68 2.392 . . . . 0.0 113.082 -172.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.6 p -126.34 140.06 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 C-N-CA 127.306 2.242 . . . . 0.0 108.787 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -87.42 7.7 27.95 Favored 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 123.746 0.819 . . . . 0.0 112.494 169.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -56.6 147.3 22.68 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.1 1.76 . . . . 0.0 111.301 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -108.78 116.64 32.36 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-O 125.081 2.372 . . . . 0.0 111.866 171.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -75.08 174.24 9.65 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 109.522 -3.49 . . . . 0.0 109.557 167.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -58.72 -29.39 66.66 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.471 1.508 . . . . 0.0 114.227 171.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -126.65 131.31 51.47 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.122 1.369 . . . . 0.0 114.286 174.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 22.7 mtp -136.03 149.57 48.85 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.304 1.442 . . . . 0.0 112.463 169.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.5 mt -127.02 156.83 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 C-N-CA 126.219 1.807 . . . . 0.0 108.424 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.454 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 20.4 tt0 -110.09 134.9 51.69 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.183 0.902 . . . . 0.0 110.845 177.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.1 t -65.18 132.11 48.28 Favored 'General case' 0 CA--C 1.517 -0.297 0 C-N-CA 123.476 0.71 . . . . 0.0 110.158 172.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -72.08 -19.97 61.73 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 178.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -90.05 -52.31 5.02 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -173.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.527 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 15.9 p -115.15 4.73 14.65 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 -177.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.15 4.77 5.0 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 177.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.527 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 26.7 p -75.82 149.11 37.95 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 119.643 -1.91 . . . . 0.0 111.886 -175.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.454 ' CE2' ' HB2' ' A' ' 22' ' ' GLN . 68.3 m95 -100.42 144.99 28.77 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 125.132 1.373 . . . . 0.0 113.634 -178.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.1 mp0 -143.05 159.33 42.47 Favored 'General case' 0 CA--C 1.491 -1.303 0 O-C-N 121.379 -0.825 . . . . 0.0 109.943 -177.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -71.71 118.79 14.99 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 169.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.51 -36.23 76.5 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 118.654 -1.736 . . . . 0.0 114.72 -176.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.34 -19.78 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 122.11 -0.641 . . . . 0.0 111.996 -176.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 95.0 m -79.18 -29.49 42.98 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.662 1.585 . . . . 0.0 112.88 171.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.6 mmt -95.46 -7.27 38.69 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.229 2.212 . . . . 0.0 113.186 -176.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.54 26.9 49.53 Favored Glycine 0 C--N 1.343 0.917 0 C-N-CA 125.807 1.67 . . . . 0.0 114.618 -176.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.14 150.8 51.23 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.363 1.065 . . . . 0.0 110.254 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.44 167.93 17.82 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 129.011 2.925 . . . . 0.0 107.806 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.11 -23.78 56.21 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 171.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -68.48 -38.04 80.66 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 170.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -100.39 1.74 41.66 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 -170.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.1 t -54.7 112.68 4.27 Favored Pre-proline 0 N--CA 1.484 1.26 0 CA-C-N 120.451 1.478 . . . . 0.0 110.368 -169.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.1 163.75 30.3 Favored 'Trans proline' 0 N--CA 1.449 -1.102 0 C-N-CA 122.096 1.864 . . . . 0.0 110.931 176.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.7 mp0 -67.96 -35.85 79.07 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 124.104 0.962 . . . . 0.0 109.164 175.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.4 mtmt -130.75 81.35 1.99 Allowed 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.356 1.462 . . . . 0.0 113.719 177.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.01 125.91 32.53 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 167.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 p -94.84 139.31 31.47 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 125.869 1.667 . . . . 0.0 109.927 169.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.6 p -93.09 147.75 22.6 Favored 'General case' 0 C--O 1.209 -1.028 0 CA-C-O 117.641 -1.171 . . . . 0.0 110.453 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -37.53 -38.09 0.24 Allowed 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 117.275 2.324 . . . . 0.0 117.275 169.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.85 -30.02 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 O-C-N 120.049 -1.657 . . . . 0.0 111.751 173.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 70.7 m -96.33 -62.07 1.33 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.22 2.208 . . . . 0.0 113.28 169.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -74.2 -36.45 63.99 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 t0 . . . . . 0 N--CA 1.488 1.469 0 C-N-CA 126.484 1.914 . . . . 0.0 114.18 -171.786 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.31 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . 0.402 HH12 ' CD ' ' A' ' 5' ' ' GLU . 15.6 ttt180 56.9 -73.95 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 129.95 3.3 . . . . 0.0 118.568 177.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . 0.261 4.7 p 56.02 155.0 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 128.622 2.769 . . . . 0.0 118.203 -169.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.754 0 N-CA-C 118.003 2.594 . . . . 0.0 118.003 -172.147 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 46.88 47.51 15.44 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 172.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 13.2 t -62.98 132.41 51.93 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 120.825 -1.172 . . . . 0.0 112.577 -175.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.98 -35.12 43.5 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' ARG . . . . . 0.94 HH22 ' HN1' ' C' ' 12' ' ' NH2 . 48.3 ttt-85 -161.42 144.02 12.18 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.913 1.685 . . . . 0.0 111.0 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -70.49 176.27 4.19 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.21 1.004 . . . . 0.0 111.343 169.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 79.8 p -53.99 155.92 3.22 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.264 1.026 . . . . 0.0 112.458 172.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 34.0 m -37.1 107.43 0.06 Allowed 'General case' 0 C--O 1.253 1.28 0 C-N-CA 127.308 2.243 . . . . 0.0 114.617 -169.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' NH2 . . . . . 0.94 ' HN1' HH22 ' C' ' 8' ' ' ARG . . . . . . . . 0 C--N 1.254 -3.558 0 O-C-N 123.478 0.486 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.981 0 N-CA-C 112.667 -0.173 . . . . 0.0 112.667 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 55.94 35.38 25.39 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 126.165 1.786 . . . . 0.0 114.757 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 22.9 ptt? -65.5 -34.38 78.13 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -176.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 49.74 10.7 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 128.251 2.62 . . . . 0.0 117.766 -172.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.269 0.0 OUTLIER 53.15 14.84 0.53 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 127.46 2.304 . . . . 0.0 115.597 175.612 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.14 159.33 19.55 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.087 1.755 . . . . 0.0 113.657 -171.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -79.66 114.68 18.76 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.188 0.595 . . . . 0.0 109.726 169.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -121.35 161.06 22.75 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 126.057 1.743 . . . . 0.0 112.431 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -67.61 102.5 1.18 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.49 1.516 . . . . 0.0 107.736 174.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.0 t -133.04 108.92 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.818 1.247 . . . . 0.0 110.346 -169.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.2 t -74.42 102.45 2.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 121.152 -0.968 . . . . 0.0 108.73 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -129.75 89.74 2.87 Favored 'General case' 0 CA--C 1.51 -0.577 0 C-N-CA 125.22 1.408 . . . . 0.0 108.71 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.3 t -92.73 159.44 15.42 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 124.675 1.234 . . . . 0.0 111.707 170.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -53.31 -17.15 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 125.037 1.335 . . . . 0.0 113.759 169.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.8 m -69.7 -16.5 63.35 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 125.952 1.701 . . . . 0.0 110.766 175.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . 0.262 79.9 mm-40 48.71 40.32 15.64 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 128.849 2.86 . . . . 0.0 112.765 -173.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.1 141.06 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 128.606 2.762 . . . . 0.0 108.543 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -88.9 7.77 32.73 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 123.673 0.789 . . . . 0.0 112.572 169.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -56.82 147.47 23.19 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.759 1.623 . . . . 0.0 111.491 177.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -108.89 115.82 30.8 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 126.193 2.902 . . . . 0.0 112.45 172.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -74.08 172.38 11.81 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 108.987 -3.733 . . . . 0.0 107.472 167.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -61.08 -37.67 83.53 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -112.05 132.06 55.05 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.487 1.515 . . . . 0.0 114.08 172.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.8 mtp -136.52 150.06 48.46 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.176 1.39 . . . . 0.0 112.447 169.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.3 mt -127.2 155.97 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 C-N-CA 126.084 1.754 . . . . 0.0 108.985 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.433 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 21.9 tt0 -109.68 134.54 51.86 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.024 0.829 . . . . 0.0 111.231 178.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.74 131.01 45.68 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 123.665 0.786 . . . . 0.0 110.301 171.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -72.24 -18.58 61.81 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -90.33 -51.71 5.29 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 -174.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.53 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 16.4 p -114.5 4.37 15.2 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 -178.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.75 4.56 4.79 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 116.679 2.103 . . . . 0.0 116.679 178.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.53 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 27.4 p -75.58 150.27 38.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 120.167 -1.583 . . . . 0.0 112.176 -174.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.433 ' CE2' ' HB2' ' A' ' 22' ' ' GLN . 65.7 m95 -102.97 144.32 31.41 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 125.153 1.381 . . . . 0.0 113.635 -176.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.421 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.0 mp0 -142.26 159.84 41.44 Favored 'General case' 0 CA--C 1.494 -1.179 0 CA-C-N 118.508 0.595 . . . . 0.0 110.214 -177.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -72.27 118.59 15.34 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 106.403 -1.703 . . . . 0.0 106.403 168.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.56 -36.65 78.92 Favored Glycine 0 N--CA 1.461 0.348 0 C-N-CA 118.955 -1.593 . . . . 0.0 114.462 -176.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.18 -19.12 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.408 0.683 . . . . 0.0 112.213 -176.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 93.9 m -79.86 -30.64 40.34 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.498 1.519 . . . . 0.0 112.897 170.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.7 mmt -93.76 -7.41 43.59 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.356 2.262 . . . . 0.0 113.05 -176.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.44 26.77 50.35 Favored Glycine 0 C--N 1.343 0.935 0 C-N-CA 125.851 1.691 . . . . 0.0 114.197 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.74 150.33 51.1 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.398 1.079 . . . . 0.0 110.289 178.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.53 167.36 18.8 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 129.051 2.941 . . . . 0.0 107.668 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.04 -24.7 55.74 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 170.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -67.7 -38.2 83.31 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 170.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -100.45 1.27 41.04 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 115.359 1.615 . . . . 0.0 115.359 -171.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.9 t -54.28 112.99 4.46 Favored Pre-proline 0 N--CA 1.486 1.364 0 CA-C-N 120.726 1.603 . . . . 0.0 110.023 -169.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -75.93 168.66 23.72 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.184 1.923 . . . . 0.0 110.859 177.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -70.76 -37.54 73.4 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.266 -0.896 . . . . 0.0 108.693 173.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -128.73 82.68 2.1 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.194 1.398 . . . . 0.0 113.541 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.09 125.69 32.37 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 114.416 -1.265 . . . . 0.0 108.19 167.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.3 136.05 35.02 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 126.207 1.803 . . . . 0.0 110.987 169.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.7 p -91.8 147.1 23.23 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-O 117.493 -1.242 . . . . 0.0 109.925 -176.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.494 ' HA ' ' H ' ' A' ' 53' ' ' ASP . 6.2 p90 -34.8 -45.6 0.26 Allowed 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 169.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -59.14 -31.2 45.42 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 O-C-N 120.355 -1.466 . . . . 0.0 112.279 176.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 77.4 m -91.31 -60.23 1.95 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.642 1.577 . . . . 0.0 111.569 169.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -74.48 -62.29 1.58 Allowed 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.494 ' H ' ' HA ' ' A' ' 49' ' ' TYR . 47.0 t0 . . . . . 0 C--O 1.256 1.435 0 N-CA-C 117.766 2.506 . . . . 0.0 117.766 -172.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.348 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . 0.262 8.3 ttt180 44.67 -70.03 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.103 1 C-N-CA 131.741 4.016 . . . . 0.0 118.611 -175.024 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . 0.303 2.9 p 57.77 149.85 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 129.204 3.002 . . . . 0.0 119.048 -174.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.394 0 C-N-CA 125.896 1.678 . . . . 0.0 110.078 -176.749 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -132.79 131.49 41.16 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.999 0.92 . . . . 0.0 110.762 169.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 92.4 m -78.68 112.85 16.21 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.393 0.677 . . . . 0.0 111.408 -176.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.89 142.51 36.72 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.827 0.851 . . . . 0.0 110.747 169.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 88.8 mtt-85 -127.1 18.8 7.08 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -174.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . 0.87 ' HZ1' ' HN2' ' C' ' 12' ' ' NH2 . 8.8 ptmm? -63.71 144.58 56.91 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.025 1.33 . . . . 0.0 112.434 177.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 77.5 p -76.03 -21.71 56.54 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -173.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 50.3 p -140.62 -51.38 0.47 Allowed 'General case' 0 C--O 1.253 1.26 0 C-N-CA 126.404 1.882 . . . . 0.0 111.631 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' NH2 . . . . . 0.87 ' HN2' ' HZ1' ' C' ' 9' ' ' LYS . . . . . . . . 0 C--N 1.253 -3.622 0 CA-C-N 118.649 0.659 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.085 0 N-CA-C 112.018 -0.433 . . . . 0.0 112.018 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -54.78 -29.27 53.82 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.05 1.74 . . . . 0.0 115.46 -169.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -32.79 74.62 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 178.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 55.16 16.8 1.73 Allowed 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 119.416 1.007 . . . . 0.0 113.017 -168.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.81 2.07 2.48 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 130.039 3.336 . . . . 0.0 115.318 -169.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -87.25 162.2 17.57 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.408 1.883 . . . . 0.0 112.336 169.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -90.64 112.31 23.98 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 169.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -136.45 161.34 36.11 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.304 1.842 . . . . 0.0 111.771 -178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -61.5 104.88 0.46 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.231 1.012 . . . . 0.0 110.127 169.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.8 t -137.21 109.62 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.702 -173.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.6 t -74.9 98.77 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 O-C-N 121.078 -1.014 . . . . 0.0 108.337 -177.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -126.37 89.63 3.04 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 125.094 1.357 . . . . 0.0 109.02 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.9 t -91.85 160.17 15.43 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 124.757 1.285 . . . . 0.0 111.804 169.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -54.4 -16.81 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 C-N-CA 125.108 1.363 . . . . 0.0 113.634 169.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.3 m -70.63 -15.56 62.75 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 126.237 1.815 . . . . 0.0 110.835 177.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 50.74 37.54 17.06 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 127.735 2.414 . . . . 0.0 113.09 -172.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.48 138.14 55.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 C-N-CA 126.978 2.111 . . . . 0.0 108.955 177.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -86.15 7.99 22.73 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 123.833 0.853 . . . . 0.0 112.745 169.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -61.21 149.61 37.05 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 126.612 1.965 . . . . 0.0 110.465 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.46 117.93 35.3 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-O 124.715 2.198 . . . . 0.0 113.314 173.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -75.12 172.75 11.81 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 110.071 -3.24 . . . . 0.0 107.86 166.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -57.77 -32.56 67.61 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.429 1.092 . . . . 0.0 113.397 175.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -121.27 133.06 55.13 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.169 1.788 . . . . 0.0 114.169 175.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.7 mtp -137.13 151.33 48.72 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.118 1.367 . . . . 0.0 112.461 169.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.3 mt -127.81 157.09 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 C-N-CA 125.718 1.607 . . . . 0.0 108.861 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.446 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 26.9 tt0 -109.04 134.82 51.16 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.009 0.822 . . . . 0.0 111.568 177.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 46.5 t -65.04 129.69 40.63 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 123.82 0.848 . . . . 0.0 110.123 171.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -71.9 -18.14 62.06 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -89.9 -52.13 5.13 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -174.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.53 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 16.3 p -114.69 4.73 15.12 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 116.2 1.926 . . . . 0.0 116.2 -178.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.96 4.34 4.75 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 116.791 2.145 . . . . 0.0 116.791 177.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.53 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 27.2 p -75.1 151.06 38.65 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 120.383 -1.448 . . . . 0.0 112.254 -175.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.446 ' CE2' ' HB2' ' A' ' 22' ' ' GLN . 71.0 m95 -103.97 143.83 32.34 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.911 1.284 . . . . 0.0 113.859 -176.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.416 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.0 mp0 -142.56 160.14 40.87 Favored 'General case' 0 CA--C 1.497 -1.079 0 O-C-N 121.233 -0.917 . . . . 0.0 110.453 -177.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -71.92 118.68 15.08 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 169.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.49 -36.63 78.3 Favored Glycine 0 N--CA 1.461 0.338 0 C-N-CA 118.718 -1.706 . . . . 0.0 114.353 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.24 -18.52 24.2 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 C-N-CA 123.19 0.596 . . . . 0.0 112.32 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.5 m -80.21 -30.05 38.63 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.886 1.675 . . . . 0.0 112.732 171.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.5 mmt -94.82 -7.87 39.07 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 127.499 2.32 . . . . 0.0 113.167 -176.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.24 26.85 46.57 Favored Glycine 0 C--N 1.344 0.979 0 C-N-CA 126.079 1.799 . . . . 0.0 114.276 -176.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.94 150.35 51.27 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 122.39 1.09 . . . . 0.0 109.987 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.47 167.23 18.97 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 129.251 3.02 . . . . 0.0 107.668 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.51 -25.06 50.41 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 170.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.63 -37.91 83.12 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 170.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -100.9 1.49 39.95 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 -171.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.3 t -54.43 113.54 5.35 Favored Pre-proline 0 N--CA 1.487 1.423 0 CA-C-N 120.611 1.55 . . . . 0.0 110.251 -169.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -77.46 164.38 28.68 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 122.494 2.129 . . . . 0.0 111.177 175.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.0 mp0 -67.0 -37.73 84.73 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 124.406 1.082 . . . . 0.0 108.939 174.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -130.32 82.28 2.05 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.487 1.515 . . . . 0.0 113.757 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.03 126.95 33.55 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.737 -1.119 . . . . 0.0 108.041 167.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.01 137.24 35.36 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 126.339 1.855 . . . . 0.0 111.241 170.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.2 p -93.15 148.18 22.24 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.041 -176.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -40.02 -38.29 0.7 Allowed 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 117.641 2.46 . . . . 0.0 117.641 170.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.4 t -61.17 -29.28 45.47 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 O-C-N 120.422 -1.423 . . . . 0.0 111.736 173.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 86.3 m -95.43 -63.27 1.18 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.97 2.108 . . . . 0.0 112.483 169.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -81.95 -30.63 31.65 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 117.256 2.317 . . . . 0.0 117.256 -175.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.7 t0 . . . . . 0 C--O 1.256 1.433 0 C-N-CA 126.574 1.95 . . . . 0.0 110.918 -168.303 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.362 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . 0.259 11.8 ttt180 50.35 -69.89 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.055 0 C-N-CA 131.238 3.815 . . . . 0.0 118.851 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . 0.315 6.0 p 57.64 149.57 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 119.431 3.122 . . . . 0.0 119.431 -173.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.458 0 C-N-CA 126.658 1.983 . . . . 0.0 109.913 -177.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -139.55 148.31 42.4 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.887 1.275 . . . . 0.0 111.412 176.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 30.2 p -123.16 11.89 9.51 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.55 149.77 45.52 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.798 0.839 . . . . 0.0 112.75 175.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -66.65 152.45 45.36 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.605 1.162 . . . . 0.0 112.256 -177.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.66 152.78 44.72 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.423 1.089 . . . . 0.0 112.257 172.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -74.78 151.17 39.13 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.526 1.13 . . . . 0.0 112.389 174.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 27.3 p -140.88 125.72 18.11 Favored 'General case' 0 C--O 1.254 1.328 0 C-N-CA 126.525 1.93 . . . . 0.0 112.112 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.253 -3.604 0 CA-C-N 118.092 0.405 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.788 0 N-CA-C 112.292 -0.323 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -81.01 -58.67 2.97 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.658 0.783 . . . . 0.0 112.701 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -81.75 -34.92 30.19 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.141 1.164 . . . . 0.0 114.141 -177.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 47.41 17.56 0.08 Allowed 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 -170.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.28 0.0 OUTLIER 51.11 16.6 0.38 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.957 2.103 . . . . 0.0 115.087 -172.009 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.98 158.95 19.75 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.208 1.803 . . . . 0.0 113.314 -174.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -80.12 114.48 19.06 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 121.262 0.554 . . . . 0.0 110.19 169.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -133.38 161.51 34.34 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.661 1.985 . . . . 0.0 111.789 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -67.72 102.19 1.17 Allowed 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.2 t -134.23 108.38 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 125.228 1.411 . . . . 0.0 110.658 -169.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.6 t -74.7 99.77 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 O-C-N 121.113 -0.992 . . . . 0.0 109.143 -178.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -126.74 89.95 3.08 Favored 'General case' 0 CA--C 1.511 -0.535 0 C-N-CA 125.444 1.498 . . . . 0.0 109.041 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 39.7 t -92.43 160.14 15.22 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 124.825 1.328 . . . . 0.0 111.918 170.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -54.56 -16.67 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 C-N-CA 125.245 1.418 . . . . 0.0 113.585 168.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.3 m -70.88 -15.55 62.63 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 126.098 1.759 . . . . 0.0 110.808 177.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 50.73 37.75 17.57 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 127.712 2.405 . . . . 0.0 113.172 -171.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.3 p -126.47 138.29 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 126.872 2.069 . . . . 0.0 109.046 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -86.64 7.94 24.38 Favored 'General case' 0 CA--C 1.56 1.36 0 C-N-CA 123.871 0.869 . . . . 0.0 112.338 169.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.49 150.6 35.24 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 126.743 2.017 . . . . 0.0 110.723 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.12 120.64 43.14 Favored 'General case' 0 N--CA 1.433 -1.319 0 CA-C-O 124.647 2.165 . . . . 0.0 111.925 173.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -74.53 -174.88 2.2 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 110.062 -3.245 . . . . 0.0 109.63 168.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -58.86 -40.28 83.83 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 120.943 -1.098 . . . . 0.0 112.848 169.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -124.53 137.0 54.44 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.236 1.815 . . . . 0.0 113.627 -178.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.9 mtp -136.93 152.41 50.16 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.288 1.435 . . . . 0.0 113.188 169.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.4 mt -131.81 156.76 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 125.928 1.691 . . . . 0.0 109.186 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -108.89 135.98 49.18 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.321 1.048 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.5 t -65.83 131.76 47.07 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 124.469 1.107 . . . . 0.0 110.577 171.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -71.5 -18.75 62.26 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 177.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -91.29 -52.52 4.76 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -173.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.522 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 16.5 p -114.09 4.48 15.65 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 116.089 1.885 . . . . 0.0 116.089 -178.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.65 5.47 5.22 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 178.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.522 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 27.5 p -76.27 151.08 36.88 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 119.949 -1.72 . . . . 0.0 111.958 -175.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -103.57 144.6 31.21 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 125.461 1.504 . . . . 0.0 113.587 -176.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.417 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.1 mp0 -143.4 160.45 40.52 Favored 'General case' 0 CA--C 1.496 -1.12 0 O-C-N 121.266 -0.896 . . . . 0.0 110.491 -176.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -71.9 118.6 14.96 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 169.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.63 -35.53 74.05 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 118.706 -1.711 . . . . 0.0 114.047 -176.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.75 -17.47 22.09 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 O-C-N 122.039 -0.683 . . . . 0.0 112.051 -176.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 89.5 m -80.74 -29.45 36.3 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.575 1.55 . . . . 0.0 112.612 170.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.6 mmt -95.96 -7.86 35.39 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.303 2.241 . . . . 0.0 113.231 -175.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.21 27.36 44.82 Favored Glycine 0 C--N 1.343 0.917 0 C-N-CA 126.022 1.772 . . . . 0.0 114.324 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.88 151.16 50.75 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 122.404 1.097 . . . . 0.0 110.658 178.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.37 166.79 19.68 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 129.39 3.076 . . . . 0.0 107.852 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.17 -24.96 58.0 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 171.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.01 -37.99 85.17 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 170.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -100.8 0.78 39.36 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -170.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.0 t -53.85 113.07 4.42 Favored Pre-proline 0 N--CA 1.486 1.35 0 CA-C-N 120.895 1.68 . . . . 0.0 110.235 -169.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -79.16 165.24 23.96 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 122.539 2.159 . . . . 0.0 111.516 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.0 mp0 -69.57 -34.27 73.94 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 124.083 0.953 . . . . 0.0 109.514 175.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -132.47 81.61 1.96 Allowed 'General case' 0 C--O 1.233 0.21 0 C-N-CA 125.055 1.342 . . . . 0.0 114.115 175.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.35 125.85 32.67 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 114.688 -1.142 . . . . 0.0 107.927 167.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.6 p -95.87 139.14 32.51 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.623 1.569 . . . . 0.0 110.87 169.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.0 p -92.12 144.73 25.14 Favored 'General case' 0 C--O 1.211 -0.929 0 CA-C-O 117.471 -1.252 . . . . 0.0 109.15 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.405 ' HA ' ' H ' ' A' ' 53' ' ' ASP . 8.6 p90 -34.14 -43.71 0.16 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 169.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.4 t -60.1 -30.83 46.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 O-C-N 119.419 -2.051 . . . . 0.0 112.227 176.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.7 m -91.93 -61.1 1.7 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.067 1.747 . . . . 0.0 111.858 168.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -50.78 20.06 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 -177.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.405 ' H ' ' HA ' ' A' ' 49' ' ' TYR . 45.3 t0 . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 119.847 3.277 . . . . 0.0 119.847 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.847 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -57.01 149.59 18.68 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 120.373 1.442 . . . . 0.0 110.834 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 1.6 p -144.38 153.41 41.92 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.263 0 C-N-CA 125.895 1.678 . . . . 0.0 109.958 -175.022 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -129.77 136.09 49.22 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.025 0.93 . . . . 0.0 110.844 171.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 1.7 p -140.37 28.72 2.02 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.708 1.603 . . . . 0.0 112.722 -169.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.71 131.65 46.85 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.396 1.078 . . . . 0.0 113.075 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -91.14 -11.43 38.5 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.196 1.399 . . . . 0.0 113.527 176.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -62.37 149.05 43.41 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.845 1.658 . . . . 0.0 112.845 -175.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 19.6 m -66.07 154.93 38.24 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.146 1.378 . . . . 0.0 113.211 178.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 65.4 m -70.83 -53.15 16.34 Favored 'General case' 0 C--O 1.254 1.297 0 C-N-CA 124.853 1.261 . . . . 0.0 111.279 172.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.254 -3.575 0 CA-C-N 118.841 0.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.998 0 N-CA-C 112.095 -0.402 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -65.73 -17.7 64.8 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 -170.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -33.81 76.76 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 49.84 17.52 0.28 Allowed 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -169.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.282 0.0 OUTLIER 51.94 15.29 0.39 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 127.377 2.271 . . . . 0.0 115.076 -169.902 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -86.56 154.86 20.75 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.341 1.856 . . . . 0.0 112.788 -178.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -83.89 114.58 21.77 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 122.971 0.508 . . . . 0.0 109.986 169.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -123.71 154.45 39.43 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.796 1.638 . . . . 0.0 112.109 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -66.29 102.2 0.82 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.545 1.938 . . . . 0.0 107.62 173.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.1 t -136.17 111.95 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.16 1.384 . . . . 0.0 110.696 -168.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.5 t -74.13 100.37 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 O-C-N 121.011 -1.056 . . . . 0.0 108.735 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -127.77 89.75 2.99 Favored 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 125.266 1.426 . . . . 0.0 108.946 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.7 t -92.85 159.86 15.18 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 124.604 1.19 . . . . 0.0 111.778 170.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -54.52 -16.27 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 C-N-CA 125.184 1.394 . . . . 0.0 113.773 169.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.1 m -70.89 -15.68 62.63 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 125.992 1.717 . . . . 0.0 110.94 176.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 50.79 37.61 17.42 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.691 2.397 . . . . 0.0 113.072 -172.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.13 139.09 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 C-N-CA 127.523 2.329 . . . . 0.0 108.714 177.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -87.18 7.28 28.98 Favored 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 123.462 0.705 . . . . 0.0 112.457 169.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -58.15 149.08 24.72 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.549 1.54 . . . . 0.0 111.497 178.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -108.29 117.74 34.93 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-O 125.18 2.419 . . . . 0.0 111.657 171.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -75.0 175.36 8.22 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 109.35 -3.568 . . . . 0.0 108.077 167.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -57.92 -35.26 70.82 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.466 1.106 . . . . 0.0 113.347 174.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -122.19 132.73 54.6 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.109 1.763 . . . . 0.0 113.584 177.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.7 mtp -136.12 149.96 48.9 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.147 1.379 . . . . 0.0 112.383 170.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.5 mt -126.68 156.52 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 C-N-CA 125.868 1.667 . . . . 0.0 108.469 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.413 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 24.2 tt0 -110.13 134.34 52.29 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.845 0.748 . . . . 0.0 111.189 177.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.5 t -64.56 130.08 42.29 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 123.848 0.859 . . . . 0.0 110.172 171.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -72.33 -18.21 61.78 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -89.54 -52.21 5.14 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -174.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.533 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 16.7 p -114.91 4.51 14.84 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 116.218 1.933 . . . . 0.0 116.218 -177.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.34 4.83 5.07 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 116.609 2.077 . . . . 0.0 116.609 177.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.533 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 26.8 p -76.32 150.48 36.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 120.31 -1.493 . . . . 0.0 112.185 -175.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.413 ' CE2' ' HB2' ' A' ' 22' ' ' GLN . 69.1 m95 -102.75 145.16 30.14 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 125.036 1.335 . . . . 0.0 113.821 -177.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.414 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 26.9 mp0 -142.86 159.7 41.74 Favored 'General case' 0 CA--C 1.493 -1.225 0 O-C-N 121.671 -0.643 . . . . 0.0 110.075 -178.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -72.11 118.82 15.45 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 169.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.27 -36.74 77.23 Favored Glycine 0 CA--C 1.522 0.478 0 C-N-CA 118.885 -1.626 . . . . 0.0 114.469 -176.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.0 p -67.48 -17.9 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.393 0.677 . . . . 0.0 112.062 -176.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.5 m -80.53 -30.38 37.16 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.741 1.616 . . . . 0.0 112.861 170.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.4 mmt -94.56 -7.88 39.8 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 127.501 2.32 . . . . 0.0 112.951 -176.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.19 26.44 48.25 Favored Glycine 0 C--N 1.344 1.001 0 C-N-CA 125.753 1.644 . . . . 0.0 114.394 -176.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.79 150.5 51.07 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 122.326 1.06 . . . . 0.0 110.254 178.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.21 167.96 17.59 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 128.951 2.9 . . . . 0.0 107.629 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.88 -25.04 55.96 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 170.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.8 -37.9 82.61 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 171.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -100.85 1.5 40.12 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -170.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.3 t -54.64 112.79 4.36 Favored Pre-proline 0 N--CA 1.484 1.275 0 CA-C-N 120.695 1.589 . . . . 0.0 110.201 -169.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -76.01 167.61 25.73 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 122.43 2.086 . . . . 0.0 110.974 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.6 -36.52 73.58 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.427 -0.796 . . . . 0.0 109.009 173.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -129.28 82.68 2.09 Favored 'General case' 0 C--N 1.342 0.271 0 C-N-CA 125.206 1.402 . . . . 0.0 113.448 178.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.92 126.08 32.64 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.508 -1.224 . . . . 0.0 107.809 167.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.86 137.49 33.87 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 125.995 1.718 . . . . 0.0 111.246 169.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.1 p -93.32 148.84 21.69 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.251 -176.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -40.66 -37.88 0.8 Allowed 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 117.786 2.513 . . . . 0.0 117.786 171.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.78 -30.96 48.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 O-C-N 120.601 -1.312 . . . . 0.0 111.633 173.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.8 m -93.83 -63.43 1.2 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.816 2.046 . . . . 0.0 112.665 169.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -81.82 -30.79 32.02 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 -175.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.4 t0 . . . . . 0 C--O 1.255 1.381 0 C-N-CA 126.637 1.975 . . . . 0.0 110.928 -168.217 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 2.247 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 17.9 ttm-85 47.67 -70.68 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 131.154 3.782 . . . . 0.0 118.652 -176.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . 0.295 2.8 p 57.53 150.78 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 119.061 2.986 . . . . 0.0 119.061 -174.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.413 0 C-N-CA 125.725 1.61 . . . . 0.0 110.829 -176.496 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -139.88 146.41 39.27 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.231 1.413 . . . . 0.0 110.545 172.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 41.2 p -71.27 145.45 49.54 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.882 0.873 . . . . 0.0 112.812 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.08 157.3 38.04 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.715 0.806 . . . . 0.0 112.434 172.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' ARG . . . . . 0.79 HH12 ' N ' ' C' ' 12' ' ' NH2 . 8.2 ptm180 -151.07 152.61 33.67 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.561 1.544 . . . . 0.0 112.876 178.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -78.87 164.12 24.73 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.058 1.343 . . . . 0.0 112.68 172.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 19.4 m 62.42 175.87 0.14 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.413 1.885 . . . . 0.0 114.87 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 55.1 m -61.08 126.97 29.29 Favored 'General case' 0 C--O 1.252 1.204 0 C-N-CA 124.637 1.175 . . . . 0.0 111.164 175.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' NH2 . . . . . 0.79 ' N ' HH12 ' C' ' 8' ' ' ARG . . . . . . . . 0 C--N 1.251 -3.683 0 CA-C-N 118.915 0.779 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.107 0 N-CA-C 112.292 -0.323 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 29.3 p80 -68.08 -20.45 64.95 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -172.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -34.04 77.47 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -177.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 48.28 19.03 0.18 Allowed 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -169.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.272 0.0 OUTLIER 50.3 16.94 0.3 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 127.027 2.131 . . . . 0.0 114.979 -169.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.97 160.0 19.48 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.468 1.907 . . . . 0.0 113.32 -174.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -79.09 114.07 17.73 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.295 0.569 . . . . 0.0 110.15 169.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -134.33 163.28 30.0 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.782 2.033 . . . . 0.0 111.743 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -67.12 102.31 1.0 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.942 1.297 . . . . 0.0 108.047 176.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.4 t -133.53 107.8 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 125.135 1.374 . . . . 0.0 110.8 -169.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.1 t -74.81 100.59 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 120.949 -1.094 . . . . 0.0 109.167 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -128.69 90.02 2.98 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 125.381 1.472 . . . . 0.0 109.102 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.4 t -92.31 160.43 15.13 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 124.596 1.185 . . . . 0.0 112.012 170.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -54.96 -16.41 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 C-N-CA 125.056 1.343 . . . . 0.0 113.641 168.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.1 m -71.49 -15.45 62.32 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 126.25 1.82 . . . . 0.0 110.937 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 50.72 38.02 18.25 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.731 2.412 . . . . 0.0 113.147 -172.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.52 138.75 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 127.275 2.23 . . . . 0.0 108.884 177.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -86.96 7.89 25.55 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 123.781 0.832 . . . . 0.0 112.369 169.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -61.0 149.28 37.25 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.737 2.015 . . . . 0.0 110.553 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.58 118.92 37.86 Favored 'General case' 0 N--CA 1.432 -1.368 0 CA-C-O 124.841 2.258 . . . . 0.0 113.133 173.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -74.59 175.72 7.57 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 109.82 -3.355 . . . . 0.0 109.092 167.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -58.12 -29.03 65.19 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.21 1.404 . . . . 0.0 113.985 171.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -128.93 133.47 47.86 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.307 1.443 . . . . 0.0 114.152 175.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.6 mtp -136.66 151.75 49.64 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.013 1.325 . . . . 0.0 112.794 169.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.71 156.5 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 125.857 1.663 . . . . 0.0 109.242 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.401 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 22.2 tt0 -109.2 135.5 50.2 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.203 1.001 . . . . 0.0 111.099 178.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.4 t -65.36 131.92 47.68 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 124.549 1.14 . . . . 0.0 110.472 171.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -72.15 -18.57 61.87 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -91.06 -52.25 4.93 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -173.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.527 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 17.1 p -114.73 4.57 15.04 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 115.937 1.829 . . . . 0.0 115.937 -177.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.91 4.68 4.89 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 116.731 2.123 . . . . 0.0 116.731 178.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.527 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 26.7 p -75.8 150.41 37.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 120.035 -1.665 . . . . 0.0 112.129 -174.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.401 ' CE2' ' HB2' ' A' ' 22' ' ' GLN . 65.1 m95 -102.98 144.14 31.65 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 125.098 1.359 . . . . 0.0 113.757 -176.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.41 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.1 mp0 -142.84 160.66 39.91 Favored 'General case' 0 CA--C 1.497 -1.064 0 O-C-N 121.222 -0.924 . . . . 0.0 110.716 -177.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -72.03 118.55 15.04 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 169.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.8 -35.92 77.14 Favored Glycine 0 CA--C 1.521 0.409 0 C-N-CA 118.712 -1.708 . . . . 0.0 113.955 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.69 -18.48 23.85 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 123.319 0.648 . . . . 0.0 112.248 -177.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 88.3 m -80.28 -29.39 38.27 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.735 1.614 . . . . 0.0 112.676 171.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.1 mmt -96.0 -7.42 36.44 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 127.553 2.341 . . . . 0.0 113.061 -175.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.71 27.26 47.45 Favored Glycine 0 C--N 1.343 0.971 0 C-N-CA 125.954 1.74 . . . . 0.0 114.445 -176.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.03 151.64 50.36 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 122.257 1.027 . . . . 0.0 110.587 178.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.68 167.01 19.49 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 129.469 3.108 . . . . 0.0 107.689 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.22 -25.16 58.64 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 171.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -67.02 -37.91 84.99 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 170.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -100.96 1.21 39.51 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -170.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.6 t -54.23 113.39 5.04 Favored Pre-proline 0 N--CA 1.486 1.34 0 CA-C-N 121.009 1.731 . . . . 0.0 110.111 -169.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -79.32 165.09 23.71 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 122.409 2.072 . . . . 0.0 111.553 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.7 mp0 -69.59 -33.85 73.28 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 124.017 0.927 . . . . 0.0 109.408 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -132.49 82.11 1.99 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.174 1.39 . . . . 0.0 114.045 175.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.27 125.39 32.2 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 167.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.57 137.92 33.96 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 126.307 1.843 . . . . 0.0 111.02 170.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.4 p -93.57 148.41 22.12 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-O 118.167 -0.92 . . . . 0.0 109.907 -176.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -40.33 -38.17 0.77 Allowed 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 117.702 2.482 . . . . 0.0 117.702 170.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.69 -30.64 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 120.523 -1.36 . . . . 0.0 111.674 173.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 82.7 m -94.21 -62.88 1.26 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.297 1.839 . . . . 0.0 112.57 169.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -82.45 -30.5 29.98 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 117.281 2.326 . . . . 0.0 117.281 -175.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.9 t0 . . . . . 0 C--O 1.256 1.405 0 C-N-CA 126.522 1.929 . . . . 0.0 110.877 -168.364 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.826 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -56.84 150.74 15.77 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 120.246 1.384 . . . . 0.0 110.853 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 1.6 p -145.33 152.63 40.2 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.283 0 C-N-CA 125.565 1.546 . . . . 0.0 110.404 -174.483 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -130.9 23.44 4.96 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.165 0.986 . . . . 0.0 113.036 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 17.5 p 61.99 14.86 6.77 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 126.437 1.895 . . . . 0.0 115.706 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -146.98 164.15 33.9 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.531 1.532 . . . . 0.0 112.659 -176.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 56.44 33.78 23.08 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 126.221 1.808 . . . . 0.0 114.038 177.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 33.9 tttm -63.57 140.82 58.91 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.236 1.414 . . . . 0.0 111.575 177.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 79.6 p -71.83 162.87 28.8 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.8 1.24 . . . . 0.0 112.916 170.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 40.3 m -60.16 117.44 5.15 Favored 'General case' 0 C--O 1.254 1.326 0 C-N-CA 125.006 1.322 . . . . 0.0 112.243 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.253 -3.599 0 CA-C-N 118.5 0.591 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.051 0 N-CA-C 111.988 -0.445 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -73.41 -21.6 60.44 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -175.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -34.03 77.36 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -173.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 49.81 17.22 0.25 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 -169.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.283 0.0 OUTLIER 52.04 15.0 0.37 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 127.26 2.224 . . . . 0.0 114.98 -171.225 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -86.93 155.4 20.23 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.457 1.903 . . . . 0.0 112.899 -178.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -86.76 114.87 23.79 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.567 0.747 . . . . 0.0 110.315 169.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -123.05 158.34 30.8 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.078 1.751 . . . . 0.0 112.309 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -68.11 102.28 1.3 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.213 1.405 . . . . 0.0 107.767 173.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.9 t -133.34 108.33 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.161 1.384 . . . . 0.0 110.882 -169.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 81.6 t -74.27 100.68 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 121.065 -1.022 . . . . 0.0 108.548 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -128.39 89.61 2.93 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 125.632 1.573 . . . . 0.0 108.933 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.9 t -91.72 159.72 15.7 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.46 1.104 . . . . 0.0 111.98 170.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 pp -53.85 -17.26 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 125.03 1.332 . . . . 0.0 113.737 168.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.6 m -69.6 -16.95 63.49 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 126.005 1.722 . . . . 0.0 110.819 175.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . 0.253 79.4 mm-40 48.31 41.17 15.84 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 129.163 2.985 . . . . 0.0 112.953 -173.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -125.98 140.7 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 128.396 2.678 . . . . 0.0 108.767 176.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -88.37 7.44 32.5 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.712 0.805 . . . . 0.0 112.976 170.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -60.77 152.21 27.56 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.58 1.552 . . . . 0.0 111.785 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.04 120.22 41.7 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 124.781 2.229 . . . . 0.0 111.094 169.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -74.49 -179.32 3.96 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 109.666 -3.425 . . . . 0.0 109.475 167.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -60.09 -21.95 62.14 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.671 1.188 . . . . 0.0 113.915 171.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -140.6 138.62 34.56 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.056 1.343 . . . . 0.0 113.573 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 20.9 mtp -138.84 151.16 46.77 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 125.508 1.523 . . . . 0.0 113.638 170.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.5 mt -129.59 157.48 42.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 C-N-CA 126.255 1.822 . . . . 0.0 108.888 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.465 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 24.1 tt0 -109.32 134.98 51.13 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.879 0.763 . . . . 0.0 111.524 177.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.9 t -65.46 129.85 41.22 Favored 'General case' 0 CA--C 1.515 -0.394 0 C-N-CA 123.821 0.848 . . . . 0.0 110.116 171.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -71.64 -18.18 62.22 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -90.04 -52.07 5.15 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -174.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.533 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 16.5 p -114.88 5.0 15.0 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 116.143 1.905 . . . . 0.0 116.143 -178.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.96 4.45 4.8 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 177.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.533 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 26.7 p -76.03 151.0 37.27 Favored 'General case' 0 C--O 1.221 -0.427 0 O-C-N 120.299 -1.501 . . . . 0.0 112.034 -175.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.465 ' CE2' ' HB2' ' A' ' 22' ' ' GLN . 70.8 m95 -103.7 144.39 31.52 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 125.027 1.331 . . . . 0.0 113.898 -176.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.422 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.2 mp0 -142.95 159.72 41.7 Favored 'General case' 0 CA--C 1.492 -1.271 0 O-C-N 121.615 -0.678 . . . . 0.0 110.244 -177.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -71.34 118.17 13.81 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 168.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.93 -36.52 73.77 Favored Glycine 0 C--O 1.228 -0.238 0 C-N-CA 118.798 -1.667 . . . . 0.0 113.975 -177.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.9 p -67.54 -19.03 24.7 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 O-C-N 122.113 -0.64 . . . . 0.0 112.074 -176.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.7 m -80.64 -30.15 36.69 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.781 1.632 . . . . 0.0 112.651 172.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.0 mmt -94.69 -6.9 42.19 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.386 2.274 . . . . 0.0 112.818 -177.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.43 27.29 48.56 Favored Glycine 0 C--N 1.343 0.938 0 C-N-CA 126.465 1.983 . . . . 0.0 114.578 -177.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.04 151.71 50.29 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 122.297 1.046 . . . . 0.0 110.423 178.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.59 167.87 18.02 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 129.458 3.103 . . . . 0.0 107.765 179.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.45 -24.34 55.11 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 170.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -68.19 -38.28 81.82 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 171.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -99.82 1.75 43.32 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -170.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.0 t -54.6 112.77 4.33 Favored Pre-proline 0 N--CA 1.482 1.145 0 CA-C-N 120.38 1.445 . . . . 0.0 110.599 -169.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -77.26 164.16 29.4 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 122.37 2.046 . . . . 0.0 111.047 175.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.9 mp0 -67.12 -37.25 83.54 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.138 0.975 . . . . 0.0 108.879 175.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -130.34 82.18 2.05 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.573 1.549 . . . . 0.0 113.819 177.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.01 127.39 33.85 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.631 -1.168 . . . . 0.0 107.992 167.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.6 137.38 35.77 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 126.374 1.87 . . . . 0.0 111.298 170.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.0 p -93.62 148.72 21.84 Favored 'General case' 0 C--O 1.211 -0.973 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.349 -176.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -40.61 -38.0 0.81 Allowed 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 117.649 2.463 . . . . 0.0 117.649 170.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.93 -30.61 47.82 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 O-C-N 120.278 -1.514 . . . . 0.0 111.656 173.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 82.0 m -94.45 -62.92 1.24 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.503 1.921 . . . . 0.0 112.671 169.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -82.0 -30.59 31.48 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 117.264 2.32 . . . . 0.0 117.264 -175.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.5 t0 . . . . . 0 C--O 1.255 1.365 0 C-N-CA 126.515 1.926 . . . . 0.0 111.029 -168.253 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.316 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . 0.267 15.4 ttm-85 49.28 -71.76 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 131.032 3.733 . . . . 0.0 118.572 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . 0.289 8.2 p 57.66 148.71 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 128.818 2.847 . . . . 0.0 118.119 -171.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.717 0 N-CA-C 118.71 2.856 . . . . 0.0 118.71 -169.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 61.95 -85.97 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.621 1.101 . . . . 0.0 111.504 -168.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 76.1 p -142.2 145.53 34.23 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.905 1.682 . . . . 0.0 112.234 173.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.35 -41.24 28.33 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.723 0.809 . . . . 0.0 111.539 169.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -68.65 149.18 49.42 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.673 1.189 . . . . 0.0 111.065 169.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -74.6 155.77 37.49 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.412 1.085 . . . . 0.0 112.006 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 29.0 t -66.8 146.6 54.26 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.762 0.825 . . . . 0.0 111.851 174.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 13.6 t -154.08 -40.29 0.09 Allowed 'General case' 0 C--O 1.254 1.332 0 C-N-CA 126.012 1.725 . . . . 0.0 112.171 -176.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.255 -3.541 0 CA-C-N 119.575 1.08 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.942 0 N-CA-C 112.098 -0.401 . . . . 0.0 112.098 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -84.95 -61.02 1.88 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.618 0.767 . . . . 0.0 112.416 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -34.57 38.46 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -176.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 49.95 11.3 0.06 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 117.631 2.456 . . . . 0.0 117.631 -172.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.268 0.0 OUTLIER 53.17 15.96 0.71 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 127.34 2.256 . . . . 0.0 115.659 175.355 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.75 158.95 19.89 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.598 1.559 . . . . 0.0 113.8 -170.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -80.25 114.96 19.53 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.787 0.835 . . . . 0.0 110.113 169.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -120.74 159.68 24.9 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.173 1.789 . . . . 0.0 112.437 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -67.15 102.64 1.06 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.573 1.549 . . . . 0.0 107.823 173.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.4 t -133.16 109.02 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.907 1.283 . . . . 0.0 110.692 -169.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 99.4 t -74.73 101.31 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 120.966 -1.084 . . . . 0.0 108.777 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -128.55 89.57 2.92 Favored 'General case' 0 CA--C 1.511 -0.532 0 C-N-CA 124.872 1.269 . . . . 0.0 109.089 178.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.0 t -92.64 159.86 15.26 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 124.727 1.267 . . . . 0.0 111.754 170.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -54.89 -16.23 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 C-N-CA 125.376 1.47 . . . . 0.0 113.497 169.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.2 m -70.97 -15.91 62.61 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 126.226 1.81 . . . . 0.0 110.723 177.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 50.69 37.72 17.34 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 127.408 2.283 . . . . 0.0 113.07 -172.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.24 139.18 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 127.518 2.327 . . . . 0.0 108.675 177.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -87.06 7.59 27.17 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 123.627 0.771 . . . . 0.0 112.498 169.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -58.31 148.94 25.83 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.882 1.673 . . . . 0.0 111.444 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -108.28 117.79 35.08 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 125.299 2.476 . . . . 0.0 111.832 172.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -74.95 174.48 9.24 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 109.518 -3.492 . . . . 0.0 108.723 167.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -58.47 -29.57 66.3 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.49 1.116 . . . . 0.0 113.512 173.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -127.57 132.19 49.88 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.785 1.634 . . . . 0.0 113.143 177.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.5 mtp -135.71 149.65 49.3 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.956 1.302 . . . . 0.0 112.424 169.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.4 mt -126.62 155.92 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 C-N-CA 125.838 1.655 . . . . 0.0 108.813 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.429 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 22.7 tt0 -109.44 134.52 51.76 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.834 0.743 . . . . 0.0 111.158 178.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.4 t -64.95 131.25 46.14 Favored 'General case' 0 CA--C 1.518 -0.25 0 C-N-CA 123.835 0.854 . . . . 0.0 110.337 172.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -72.05 -19.35 61.85 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -89.68 -51.88 5.29 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -173.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 17.1 p -114.91 4.27 14.77 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 116.104 1.89 . . . . 0.0 116.104 -178.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.52 5.16 5.02 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 178.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 27.5 p -76.38 150.26 36.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 120.311 -1.493 . . . . 0.0 112.207 -175.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.429 ' CE2' ' HB2' ' A' ' 22' ' ' GLN . 66.7 m95 -103.19 144.39 31.39 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.244 1.418 . . . . 0.0 113.628 -175.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.418 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 26.9 mp0 -142.96 159.33 42.44 Favored 'General case' 0 CA--C 1.493 -1.227 0 O-C-N 121.526 -0.734 . . . . 0.0 109.942 -177.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -71.78 119.06 15.41 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 106.587 -1.635 . . . . 0.0 106.587 169.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.71 -36.09 77.26 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 118.946 -1.597 . . . . 0.0 114.581 -176.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.88 -18.16 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 123.204 0.602 . . . . 0.0 112.267 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.0 m -79.93 -29.21 39.69 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.723 1.609 . . . . 0.0 112.98 170.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.5 mmt -96.98 -7.41 33.13 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.485 2.314 . . . . 0.0 113.241 -175.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.47 24.18 47.89 Favored Glycine 0 C--N 1.343 0.93 0 C-N-CA 126.017 1.77 . . . . 0.0 114.945 -177.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.92 150.42 51.21 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.389 1.076 . . . . 0.0 109.698 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.0 mt -128.67 168.09 16.29 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 129.618 3.167 . . . . 0.0 107.231 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.24 -26.18 50.45 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 170.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -68.8 -38.97 80.31 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 171.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -95.85 -0.19 51.38 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -171.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.5 t -54.52 112.43 3.95 Favored Pre-proline 0 N--CA 1.482 1.152 0 CA-C-N 120.384 1.447 . . . . 0.0 110.366 -169.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -76.0 167.59 25.8 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 122.457 2.104 . . . . 0.0 110.871 176.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.93 -36.84 72.8 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.275 -0.89 . . . . 0.0 108.749 174.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -128.26 81.2 2.01 Favored 'General case' 0 C--N 1.343 0.297 0 C-N-CA 124.87 1.268 . . . . 0.0 113.485 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.86 125.31 31.86 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 167.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.6 p -95.19 140.12 30.55 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 125.811 1.644 . . . . 0.0 110.118 169.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.5 p -94.09 147.5 23.08 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-O 117.729 -1.129 . . . . 0.0 110.282 -177.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -37.64 -38.19 0.26 Allowed 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 117.187 2.292 . . . . 0.0 117.187 169.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.6 t -61.54 -29.43 46.06 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 O-C-N 120.175 -1.578 . . . . 0.0 111.891 173.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 68.6 m -97.53 -61.6 1.37 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.181 2.192 . . . . 0.0 113.319 169.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -73.72 -36.85 65.25 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -177.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.5 t0 . . . . . 0 N--CA 1.488 1.451 0 C-N-CA 126.813 2.045 . . . . 0.0 113.894 -171.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.348 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . 0.271 7.4 ttt180 45.24 -70.55 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.125 0 C-N-CA 131.595 3.958 . . . . 0.0 118.843 -175.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . 0.305 2.8 p 58.65 149.36 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 119.274 3.064 . . . . 0.0 119.274 -175.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.426 0 C-N-CA 125.702 1.601 . . . . 0.0 110.67 -176.267 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -139.49 150.2 44.86 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.256 1.422 . . . . 0.0 110.753 171.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 57.8 p -74.14 -16.74 60.99 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 174.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -148.23 155.43 41.35 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.998 1.719 . . . . 0.0 111.381 173.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -77.15 157.81 30.76 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.593 1.157 . . . . 0.0 111.963 175.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.03 154.21 41.74 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.282 1.033 . . . . 0.0 112.074 173.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 80.1 p -78.27 -13.04 60.02 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.775 1.23 . . . . 0.0 114.097 174.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 39.6 p -64.59 132.68 50.48 Favored 'General case' 0 C--O 1.254 1.32 0 C-N-CA 126.211 1.804 . . . . 0.0 113.67 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.252 -3.638 0 CA-C-N 117.965 0.348 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.043 0 N-CA-C 112.202 -0.359 . . . . 0.0 112.202 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -68.02 -20.16 64.97 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -172.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.9 -33.14 75.32 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -178.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 53.2 11.83 0.27 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 116.262 1.949 . . . . 0.0 116.262 -169.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.28 0.0 OUTLIER 55.28 13.64 0.91 Allowed 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 127.861 2.464 . . . . 0.0 115.316 178.848 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -86.64 153.86 21.45 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.594 1.958 . . . . 0.0 112.615 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -83.57 114.6 21.64 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.459 0.704 . . . . 0.0 110.598 169.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -121.97 157.7 30.71 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.334 1.853 . . . . 0.0 112.461 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -67.4 102.44 1.11 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.244 1.418 . . . . 0.0 107.536 172.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.8 t -133.13 108.7 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.916 1.286 . . . . 0.0 110.649 -168.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 99.1 t -74.51 101.53 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 O-C-N 120.904 -1.123 . . . . 0.0 109.011 -179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -129.02 89.93 2.95 Favored 'General case' 0 CA--C 1.51 -0.59 0 C-N-CA 125.427 1.491 . . . . 0.0 109.047 178.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.7 t -91.54 160.24 15.51 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 124.393 1.058 . . . . 0.0 111.77 170.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -54.34 -16.78 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 C-N-CA 125.2 1.4 . . . . 0.0 113.443 168.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.4 m -70.32 -16.81 63.04 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 125.98 1.712 . . . . 0.0 110.591 176.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . 0.258 79.4 mm-40 49.07 40.37 17.15 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 128.981 2.912 . . . . 0.0 113.083 -173.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.5 p -125.79 141.47 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 C-N-CA 128.545 2.738 . . . . 0.0 108.457 176.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -89.07 7.73 33.48 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 124.003 0.921 . . . . 0.0 112.734 170.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.87 148.71 33.8 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.912 2.085 . . . . 0.0 110.674 179.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.5 118.57 36.96 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-O 124.89 2.281 . . . . 0.0 113.278 173.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -74.75 174.02 9.72 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 109.954 -3.293 . . . . 0.0 108.139 167.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -69.19 -10.99 60.39 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 120.653 -1.279 . . . . 0.0 114.352 174.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -134.73 132.23 38.55 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.72 1.208 . . . . 0.0 112.93 169.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.6 mtp -136.88 151.8 49.5 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.106 1.362 . . . . 0.0 112.401 169.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.4 mt -129.99 157.79 42.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 125.9 1.68 . . . . 0.0 108.874 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -110.14 135.7 50.52 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.105 0.962 . . . . 0.0 111.21 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.7 t -65.64 132.07 47.92 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 124.509 1.123 . . . . 0.0 110.662 171.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -72.8 -18.23 61.5 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -91.05 -52.12 5.0 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -174.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.518 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 16.6 p -114.58 4.67 15.22 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 116.099 1.889 . . . . 0.0 116.099 -178.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.4 5.42 5.14 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 116.817 2.154 . . . . 0.0 116.817 178.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.518 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 27.4 p -76.17 150.19 37.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 119.943 -1.723 . . . . 0.0 112.005 -175.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -102.63 144.87 30.48 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 125.542 1.537 . . . . 0.0 114.065 -176.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.418 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.1 mp0 -143.85 160.06 41.45 Favored 'General case' 0 CA--C 1.496 -1.13 0 O-C-N 121.479 -0.763 . . . . 0.0 110.722 -176.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -71.92 118.07 14.32 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 169.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.18 -35.35 77.21 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 118.613 -1.756 . . . . 0.0 114.172 -176.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.9 -18.1 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.19 0.596 . . . . 0.0 112.198 -177.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 89.8 m -80.66 -30.19 36.57 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.654 1.581 . . . . 0.0 112.686 170.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.4 mmt -94.57 -7.71 40.28 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 127.258 2.223 . . . . 0.0 113.117 -176.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.0 27.51 45.18 Favored Glycine 0 C--N 1.344 0.994 0 C-N-CA 125.894 1.711 . . . . 0.0 114.249 -176.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.87 151.35 50.53 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 122.388 1.09 . . . . 0.0 110.594 178.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.48 166.63 20.12 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 129.251 3.02 . . . . 0.0 107.757 178.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.72 -24.86 52.49 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 170.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -67.27 -37.93 84.26 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 170.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -100.75 1.45 40.34 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -170.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.4 t -54.33 112.79 4.27 Favored Pre-proline 0 N--CA 1.487 1.418 0 CA-C-N 120.879 1.672 . . . . 0.0 110.33 -169.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -77.64 168.16 22.96 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 122.418 2.079 . . . . 0.0 111.457 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.74 -32.11 63.68 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.297 -0.877 . . . . 0.0 109.586 174.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -131.06 81.07 1.97 Allowed 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 114.247 1.202 . . . . 0.0 114.247 175.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.11 124.79 31.5 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 167.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 p -95.56 139.75 31.38 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 125.814 1.646 . . . . 0.0 110.304 169.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.4 p -93.9 147.11 23.39 Favored 'General case' 0 C--O 1.209 -1.067 0 CA-C-O 117.698 -1.144 . . . . 0.0 110.478 -177.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -36.98 -38.91 0.2 Allowed 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 117.182 2.29 . . . . 0.0 117.182 169.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.6 t -61.22 -29.74 46.45 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 O-C-N 120.198 -1.564 . . . . 0.0 111.939 173.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 68.5 m -97.22 -61.95 1.33 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 127.482 2.313 . . . . 0.0 113.223 169.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -73.81 -36.08 64.94 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 -177.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.6 t0 . . . . . 0 N--CA 1.489 1.492 0 C-N-CA 126.514 1.926 . . . . 0.0 114.18 -172.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.684 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -59.23 150.88 24.44 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-N 120.432 1.469 . . . . 0.0 110.605 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p -145.33 154.3 42.18 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.395 0 C-N-CA 125.546 1.538 . . . . 0.0 110.462 -174.721 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -137.91 142.19 40.62 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.983 1.313 . . . . 0.0 111.041 175.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 74.9 m -85.76 -45.72 11.36 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -171.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.45 174.08 9.22 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.009 0.924 . . . . 0.0 112.017 171.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 40.6 mtm-85 66.37 -46.91 0.43 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 128.849 2.86 . . . . 0.0 115.245 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt 52.78 36.25 20.82 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 127.211 2.204 . . . . 0.0 114.486 171.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 23.3 t -152.95 150.29 29.09 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.384 1.474 . . . . 0.0 111.969 -178.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 35.9 p -70.59 130.24 41.29 Favored 'General case' 0 C--O 1.256 1.433 0 C-N-CA 125.73 1.612 . . . . 0.0 113.652 -178.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.254 -3.58 0 CA-C-N 118.126 0.421 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.887 0 N-CA-C 112.339 -0.304 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -78.63 60.43 2.71 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.472 1.509 . . . . 0.0 113.118 -175.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 22.9 ptt? -66.62 -34.3 77.57 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -176.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 50.78 11.02 0.08 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.85 2.46 . . . . 0.0 117.157 -169.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.279 0.0 OUTLIER 56.23 9.74 0.54 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 128.062 2.545 . . . . 0.0 115.397 175.243 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -87.13 153.8 21.23 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.865 2.066 . . . . 0.0 113.014 179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -88.9 119.82 29.76 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.851 0.86 . . . . 0.0 109.287 168.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -120.15 155.92 32.11 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.177 1.791 . . . . 0.0 112.504 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.96 103.03 1.72 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.68 1.592 . . . . 0.0 107.399 173.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.8 t -133.69 109.04 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.617 1.167 . . . . 0.0 111.106 -169.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.9 t -74.55 100.97 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-O 122.231 1.015 . . . . 0.0 108.899 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -128.16 89.7 2.96 Favored 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 125.135 1.374 . . . . 0.0 109.011 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.4 t -92.39 159.94 15.33 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 124.618 1.199 . . . . 0.0 111.731 170.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -54.7 -16.38 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 C-N-CA 125.19 1.396 . . . . 0.0 113.679 168.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.5 m -71.06 -15.46 62.54 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.044 1.737 . . . . 0.0 111.013 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 50.66 37.88 17.63 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.553 2.341 . . . . 0.0 112.929 -172.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.61 138.79 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 127.357 2.263 . . . . 0.0 108.82 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -86.63 7.48 26.25 Favored 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 123.482 0.713 . . . . 0.0 112.422 169.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -58.08 148.79 25.29 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.557 1.543 . . . . 0.0 111.646 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -108.24 118.71 37.47 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-O 125.441 2.543 . . . . 0.0 111.632 171.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -74.6 178.56 5.27 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 109.45 -3.523 . . . . 0.0 108.785 167.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.82 -37.04 73.1 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.748 1.619 . . . . 0.0 113.681 170.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -124.08 132.46 53.67 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.196 1.798 . . . . 0.0 113.612 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.1 mtp -136.04 149.04 48.63 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.078 1.351 . . . . 0.0 112.379 169.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.4 mt -125.63 156.35 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 C-N-CA 125.879 1.671 . . . . 0.0 108.736 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.422 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 22.2 tt0 -109.64 134.73 51.61 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.921 0.782 . . . . 0.0 111.176 177.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.6 t -65.12 130.59 43.92 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 124.152 0.981 . . . . 0.0 110.112 171.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -72.41 -18.33 61.73 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -90.07 -52.0 5.18 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -174.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.526 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 16.4 p -114.97 4.93 14.89 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 116.186 1.921 . . . . 0.0 116.186 -178.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.39 4.23 4.53 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 116.555 2.058 . . . . 0.0 116.555 178.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.526 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 27.3 p -75.53 149.85 38.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 119.778 -1.826 . . . . 0.0 112.13 -174.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.422 ' CE2' ' HB2' ' A' ' 22' ' ' GLN . 67.5 m95 -102.84 144.8 30.7 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 124.964 1.306 . . . . 0.0 113.714 -176.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.424 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.0 mp0 -143.07 159.54 42.08 Favored 'General case' 0 CA--C 1.495 -1.144 0 O-C-N 121.735 -0.603 . . . . 0.0 110.002 -177.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -71.78 119.47 15.99 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 169.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.09 -36.57 82.37 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 118.891 -1.623 . . . . 0.0 114.732 -176.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.15 -18.82 24.7 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 C-N-CA 123.245 0.618 . . . . 0.0 112.159 -177.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.1 m -79.71 -29.98 40.86 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.782 1.633 . . . . 0.0 112.762 171.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.3 mmt -95.23 -7.67 38.33 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.543 2.337 . . . . 0.0 113.047 -176.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.95 26.58 48.72 Favored Glycine 0 C--N 1.341 0.849 0 C-N-CA 125.89 1.71 . . . . 0.0 114.33 -176.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.68 150.58 50.94 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 122.369 1.08 . . . . 0.0 110.17 178.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.39 166.57 20.18 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 129.002 2.921 . . . . 0.0 107.875 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.74 -24.24 48.45 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 170.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -68.25 -38.06 81.41 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 169.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -100.71 1.32 40.34 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 -170.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 83.3 t -54.38 112.82 4.31 Favored Pre-proline 0 N--CA 1.486 1.344 0 CA-C-N 120.632 1.56 . . . . 0.0 110.337 -169.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -76.25 167.75 25.24 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 122.392 2.061 . . . . 0.0 110.81 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.24 -36.22 71.73 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.334 -0.854 . . . . 0.0 108.84 174.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -128.55 81.87 2.05 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 125.14 1.376 . . . . 0.0 113.593 178.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.86 126.12 32.65 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 167.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.25 137.92 33.66 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 126.13 1.772 . . . . 0.0 111.166 169.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.5 p -93.6 148.78 21.78 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.029 -176.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -40.61 -37.76 0.77 Allowed 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 117.8 2.518 . . . . 0.0 117.8 170.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.21 -29.92 46.8 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 O-C-N 120.419 -1.425 . . . . 0.0 111.736 173.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 80.5 m -94.93 -63.37 1.18 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.872 2.069 . . . . 0.0 112.454 169.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -82.05 -30.72 31.25 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 117.204 2.298 . . . . 0.0 117.204 -175.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.7 t0 . . . . . 0 C--O 1.258 1.501 0 C-N-CA 126.824 2.05 . . . . 0.0 110.917 -168.094 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.444 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . 0.251 18.0 ttm-85 46.81 -70.22 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.054 0 C-N-CA 131.422 3.889 . . . . 0.0 118.698 -175.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . 0.3 2.5 p 57.59 150.43 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 119.39 3.108 . . . . 0.0 119.39 -174.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.345 0 C-N-CA 125.785 1.634 . . . . 0.0 110.28 -177.627 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -142.83 147.74 35.94 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.359 1.464 . . . . 0.0 110.872 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 73.8 p -79.63 43.82 0.59 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.126 1.37 . . . . 0.0 112.941 174.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . 57.46 -175.39 0.07 Allowed 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 127.109 2.164 . . . . 0.0 114.286 -170.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -133.26 154.82 50.33 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.149 1.78 . . . . 0.0 111.73 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -66.76 160.65 25.37 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.649 1.179 . . . . 0.0 113.48 177.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 89.8 p -151.52 161.2 43.1 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.589 1.556 . . . . 0.0 112.221 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 83.7 m -77.26 123.06 25.95 Favored 'General case' 0 C--O 1.255 1.357 0 C-N-CA 124.886 1.275 . . . . 0.0 111.644 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.254 -3.583 0 CA-C-N 118.656 0.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.901 0 N-CA-C 111.888 -0.485 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -78.0 -19.91 53.55 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -174.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -33.99 77.31 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 -171.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 51.39 10.89 0.1 Allowed 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 116.486 2.032 . . . . 0.0 116.486 -169.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.275 0.0 OUTLIER 55.16 15.9 1.42 Allowed 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 128.371 2.668 . . . . 0.0 114.762 -178.503 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -129.59 147.4 51.39 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.796 2.038 . . . . 0.0 112.892 -171.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -92.03 114.04 26.47 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.658 0.783 . . . . 0.0 110.223 169.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -124.13 159.68 29.49 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.22 1.808 . . . . 0.0 112.343 178.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -68.8 102.62 1.58 Allowed 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 174.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.1 t -133.81 108.59 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.546 1.139 . . . . 0.0 110.787 -169.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.2 t -74.35 102.17 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 120.843 -1.161 . . . . 0.0 108.563 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -129.57 89.56 2.85 Favored 'General case' 0 CA--C 1.511 -0.526 0 C-N-CA 125.045 1.338 . . . . 0.0 108.673 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.8 t -91.61 159.38 15.92 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 124.732 1.27 . . . . 0.0 111.828 170.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -53.74 -16.93 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 C-N-CA 125.357 1.463 . . . . 0.0 113.705 169.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.6 m -69.79 -16.92 63.37 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 125.787 1.635 . . . . 0.0 110.817 175.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 49.02 40.49 17.22 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 128.99 2.916 . . . . 0.0 112.747 -173.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.6 p -125.94 141.16 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 C-N-CA 128.516 2.726 . . . . 0.0 108.53 176.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -88.26 7.54 31.61 Favored 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 123.661 0.784 . . . . 0.0 112.745 169.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -57.66 147.61 26.98 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.728 1.611 . . . . 0.0 111.094 178.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -108.8 117.85 35.27 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-O 125.246 2.45 . . . . 0.0 111.61 172.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -74.74 176.44 7.01 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 109.352 -3.567 . . . . 0.0 108.799 167.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -58.64 -35.43 72.5 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.756 1.222 . . . . 0.0 113.579 171.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -122.38 132.42 54.37 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.912 1.685 . . . . 0.0 113.767 177.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.8 mtp -136.3 149.63 48.52 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.142 1.377 . . . . 0.0 112.5 169.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.4 mt -126.47 155.73 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 C-N-CA 125.81 1.644 . . . . 0.0 108.722 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.447 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 22.1 tt0 -108.7 134.4 51.48 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.811 0.732 . . . . 0.0 111.12 177.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.7 t -65.03 131.09 45.66 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 123.942 0.897 . . . . 0.0 110.038 172.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -72.7 -18.13 61.56 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 178.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -90.21 -51.93 5.2 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -174.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.528 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 16.4 p -115.07 4.65 14.72 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 -178.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.57 4.92 4.92 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 116.429 2.011 . . . . 0.0 116.429 178.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.528 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 27.4 p -75.88 150.37 37.61 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 120.028 -1.67 . . . . 0.0 112.287 -175.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.447 ' CE2' ' HB2' ' A' ' 22' ' ' GLN . 67.1 m95 -102.67 144.36 31.15 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 125.022 1.329 . . . . 0.0 113.821 -176.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.424 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.1 mp0 -142.43 159.9 41.33 Favored 'General case' 0 CA--C 1.491 -1.32 0 O-C-N 121.493 -0.755 . . . . 0.0 110.439 -178.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -72.26 118.53 15.26 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 106.56 -1.645 . . . . 0.0 106.56 169.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.61 -36.81 80.01 Favored Glycine 0 N--CA 1.46 0.236 0 C-N-CA 118.836 -1.649 . . . . 0.0 114.554 -176.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.71 -18.83 24.78 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 C-N-CA 123.337 0.655 . . . . 0.0 112.351 -177.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.5 m -79.91 -30.8 40.15 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.68 1.592 . . . . 0.0 112.959 170.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.5 mmt -93.49 -7.91 42.99 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.358 2.263 . . . . 0.0 113.204 -176.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.54 26.38 46.99 Favored Glycine 0 C--N 1.342 0.884 0 C-N-CA 125.876 1.703 . . . . 0.0 114.336 -176.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.13 150.4 51.41 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.188 0.995 . . . . 0.0 110.276 179.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.02 167.88 17.58 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 129.053 2.941 . . . . 0.0 107.658 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.16 -24.85 57.19 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 170.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.73 -38.28 83.33 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 170.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -100.2 1.49 41.99 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 115.528 1.677 . . . . 0.0 115.528 -171.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.3 t -54.51 112.75 4.28 Favored Pre-proline 0 N--CA 1.485 1.298 0 CA-C-N 120.601 1.546 . . . . 0.0 110.142 -169.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -75.6 168.03 25.24 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 122.352 2.035 . . . . 0.0 110.961 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -70.72 -37.12 73.5 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 173.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -128.55 82.44 2.09 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 125.224 1.41 . . . . 0.0 113.604 178.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.97 125.75 32.35 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 114.664 -1.153 . . . . 0.0 108.074 167.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.14 137.6 33.98 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 126.089 1.756 . . . . 0.0 111.209 170.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.5 p -93.7 148.74 21.83 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-O 118.393 -0.813 . . . . 0.0 110.131 -176.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -40.61 -37.47 0.73 Allowed 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 117.729 2.492 . . . . 0.0 117.729 170.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.6 t -61.62 -30.61 48.62 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 CA-C-N 120.266 1.394 . . . . 0.0 111.608 173.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.4 m -93.91 -62.89 1.27 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.402 1.881 . . . . 0.0 112.523 169.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -82.24 -30.86 30.49 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 117.102 2.26 . . . . 0.0 117.102 -175.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.5 t0 . . . . . 0 C--O 1.256 1.406 0 C-N-CA 126.58 1.952 . . . . 0.0 110.943 -168.408 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.359 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . 0.265 1.6 ttt85 43.73 -70.27 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 131.417 3.887 . . . . 0.0 118.729 -174.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . 0.306 2.6 p 58.54 151.15 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 119.381 3.104 . . . . 0.0 119.381 -174.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.406 0 C-N-CA 125.829 1.652 . . . . 0.0 110.133 -177.539 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -141.66 149.55 40.76 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.037 1.335 . . . . 0.0 111.785 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -151.97 147.4 26.5 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.163 0.985 . . . . 0.0 112.334 170.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.38 -15.59 25.52 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.299 1.04 . . . . 0.0 113.56 170.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -139.05 -13.43 1.2 Allowed 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 116.218 1.932 . . . . 0.0 116.218 -169.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt 53.85 39.5 30.45 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.324 1.45 . . . . 0.0 112.13 -169.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 56.7 p -73.33 159.48 33.29 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.131 1.372 . . . . 0.0 113.115 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 22.7 m 56.97 -99.49 0.1 Allowed 'General case' 0 C--O 1.254 1.313 0 C-N-CA 127.328 2.251 . . . . 0.0 113.352 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.254 -3.551 0 CA-C-N 121.151 1.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.987 0 N-CA-C 111.969 -0.453 . . . . 0.0 111.969 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -60.96 -17.9 54.19 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 -169.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -33.87 76.7 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 175.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 50.54 14.37 0.16 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -169.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.75 9.28 1.11 Allowed 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 128.876 2.87 . . . . 0.0 114.5 -168.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -87.43 156.73 19.44 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.365 1.866 . . . . 0.0 113.607 -175.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -92.24 116.27 28.81 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.158 0.983 . . . . 0.0 109.885 169.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -119.15 104.4 10.4 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 122.668 1.223 . . . . 0.0 112.913 -177.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -67.76 103.7 1.48 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 128.05 2.54 . . . . 0.0 108.606 169.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.6 t -130.65 106.82 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.712 1.205 . . . . 0.0 110.944 -169.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.6 t -74.9 101.47 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 O-C-N 120.866 -1.146 . . . . 0.0 109.128 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -129.34 89.66 2.88 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 125.485 1.514 . . . . 0.0 109.109 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 39.8 t -91.33 159.91 15.76 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 124.529 1.143 . . . . 0.0 111.972 170.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -54.37 -16.72 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 125.159 1.384 . . . . 0.0 113.651 168.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.8 m -71.08 -15.49 62.53 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 126.145 1.778 . . . . 0.0 111.014 176.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 51.19 37.62 18.87 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 127.592 2.357 . . . . 0.0 113.252 -172.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.46 138.77 53.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 127.123 2.169 . . . . 0.0 108.935 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -86.51 7.71 24.93 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 123.751 0.821 . . . . 0.0 112.649 169.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.28 148.99 34.77 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 126.827 2.051 . . . . 0.0 110.661 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.5 118.85 37.71 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-O 125.141 2.401 . . . . 0.0 113.176 172.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -74.47 175.36 7.83 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 110.041 -3.254 . . . . 0.0 109.122 167.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -64.19 -13.67 50.23 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.015 1.116 . . . . 0.0 114.015 172.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -140.13 133.97 30.6 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.322 1.449 . . . . 0.0 112.99 173.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.4 ' HE2' ' CD2' ' A' ' 31' ' ' HIS . 27.3 mtp -137.09 151.96 49.47 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.024 1.329 . . . . 0.0 112.628 169.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.33 157.01 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 125.813 1.645 . . . . 0.0 109.189 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -109.07 135.63 49.9 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.048 0.939 . . . . 0.0 111.603 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.9 t -65.08 131.58 46.93 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 124.18 0.992 . . . . 0.0 110.498 170.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -70.29 -20.15 63.05 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 178.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -91.09 -52.22 4.94 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -172.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.524 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 17.4 p -113.72 4.73 16.13 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 -178.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 69.83 3.46 4.3 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 179.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.524 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 26.6 p -74.63 149.87 39.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 119.987 -1.696 . . . . 0.0 111.751 -173.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 65.4 m95 -102.91 144.15 31.58 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 125.339 1.456 . . . . 0.0 113.837 -176.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.416 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.1 mp0 -143.16 160.68 39.98 Favored 'General case' 0 CA--C 1.497 -1.083 0 O-C-N 121.253 -0.904 . . . . 0.0 110.495 -176.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.4 ' CD2' ' HE2' ' A' ' 20' ' ' MET . 10.8 m80 -72.15 118.43 15.02 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 168.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.58 -35.69 74.4 Favored Glycine 0 N--CA 1.46 0.27 0 C-N-CA 118.491 -1.814 . . . . 0.0 114.39 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.71 -18.53 23.9 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 123.493 0.717 . . . . 0.0 112.167 -177.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.9 m -80.21 -29.59 38.59 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.992 1.717 . . . . 0.0 112.75 170.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.2 mmt -95.65 -7.83 36.45 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 127.428 2.291 . . . . 0.0 113.103 -176.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.95 27.11 46.91 Favored Glycine 0 C--N 1.342 0.909 0 C-N-CA 125.959 1.742 . . . . 0.0 114.4 -176.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.83 151.37 50.47 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 122.419 1.104 . . . . 0.0 110.457 178.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.46 167.06 19.23 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 129.192 2.997 . . . . 0.0 107.968 178.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.68 -25.42 53.95 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 170.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -67.15 -38.07 84.88 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 171.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -100.57 1.21 40.64 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 -170.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 72.5 t -54.16 112.96 4.39 Favored Pre-proline 0 N--CA 1.488 1.451 0 CA-C-N 121.041 1.746 . . . . 0.0 110.176 -169.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -77.95 168.27 22.37 Favored 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 122.306 2.004 . . . . 0.0 111.322 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -73.61 -31.48 63.57 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.407 -0.808 . . . . 0.0 109.676 175.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -132.92 81.89 1.97 Allowed 'General case' 0 C--N 1.34 0.169 0 C-N-CA 124.953 1.301 . . . . 0.0 113.847 175.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.95 124.25 30.82 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 167.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.46 137.7 33.28 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 126.302 1.841 . . . . 0.0 111.046 169.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 p -93.83 148.69 21.9 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-O 118.301 -0.857 . . . . 0.0 109.986 -176.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -40.06 -38.3 0.71 Allowed 'General case' 0 CA--C 1.555 1.144 0 N-CA-C 117.65 2.463 . . . . 0.0 117.65 170.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.6 t -61.11 -30.28 47.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 O-C-N 120.448 -1.408 . . . . 0.0 111.942 173.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 85.9 m -94.51 -62.4 1.33 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.37 1.868 . . . . 0.0 112.594 169.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -82.29 -30.82 30.35 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 117.375 2.361 . . . . 0.0 117.375 -175.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.7 t0 . . . . . 0 C--O 1.257 1.472 0 C-N-CA 126.524 1.93 . . . . 0.0 110.997 -168.268 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.873 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -58.31 151.86 18.71 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 120.283 1.401 . . . . 0.0 110.912 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 1.5 p -145.39 154.07 41.89 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.348 0 C-N-CA 125.72 1.608 . . . . 0.0 110.037 -174.681 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -121.58 12.39 10.73 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.192 0.997 . . . . 0.0 112.612 170.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 23.7 m 58.7 66.79 1.01 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 126.079 1.752 . . . . 0.0 112.673 -175.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . 57.53 41.13 26.36 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 169.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -68.86 151.18 46.92 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 121.382 -0.824 . . . . 0.0 111.677 169.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -69.35 150.36 47.41 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.749 1.22 . . . . 0.0 112.29 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 24.4 m -71.06 -24.48 62.34 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 178.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 94.0 m -137.27 -56.98 0.71 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.728 2.011 . . . . 0.0 110.734 177.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.253 -3.61 0 CA-C-N 118.904 0.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.861 0 N-CA-C 112.048 -0.421 . . . . 0.0 112.048 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -84.15 -54.27 4.94 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 22.5 ptp -84.51 -35.5 22.85 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -177.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 48.88 12.26 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 -169.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.29 0.0 OUTLIER 56.53 10.79 0.74 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 128.277 2.631 . . . . 0.0 115.308 179.136 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -86.4 154.41 21.19 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.439 2.296 . . . . 0.0 112.104 170.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -82.83 113.36 20.41 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 121.363 0.601 . . . . 0.0 109.774 169.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -133.96 161.77 33.88 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 126.677 1.991 . . . . 0.0 111.714 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -69.35 102.78 1.82 Allowed 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 176.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.9 t -135.07 108.27 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.917 1.287 . . . . 0.0 110.974 -169.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.6 t -74.75 101.24 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 O-C-N 121.101 -1.0 . . . . 0.0 108.6 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -128.64 89.73 2.94 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 125.416 1.486 . . . . 0.0 109.09 178.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.4 t -91.08 160.22 15.7 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 124.597 1.186 . . . . 0.0 111.73 170.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 pp -54.26 -16.84 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 124.999 1.32 . . . . 0.0 113.596 168.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.9 m -69.79 -16.74 63.34 Favored 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 125.953 1.701 . . . . 0.0 110.834 175.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . 0.263 80.0 mm-40 49.13 40.22 17.06 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 129.068 2.947 . . . . 0.0 112.963 -173.041 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.01 140.97 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 C-N-CA 128.388 2.675 . . . . 0.0 108.828 177.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -89.09 7.99 32.22 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 124.19 0.996 . . . . 0.0 112.909 170.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -60.27 149.16 34.2 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 126.457 1.903 . . . . 0.0 110.926 178.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.29 118.31 36.37 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-O 124.923 2.297 . . . . 0.0 112.682 173.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -74.61 177.06 6.34 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 110.102 -3.226 . . . . 0.0 108.644 167.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -57.91 -34.24 69.62 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.834 1.254 . . . . 0.0 113.365 174.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -124.76 135.02 52.62 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.051 1.74 . . . . 0.0 114.0 176.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.1 mtp -136.98 152.45 50.16 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.335 1.454 . . . . 0.0 112.933 169.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.6 mt -130.56 157.61 42.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 125.66 1.584 . . . . 0.0 109.242 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.428 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 22.5 tt0 -109.44 135.47 50.42 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.869 0.868 . . . . 0.0 111.318 178.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 46.4 t -65.51 131.87 47.49 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 124.104 0.961 . . . . 0.0 110.587 171.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -71.86 -18.46 62.06 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -91.53 -52.23 4.88 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -173.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 16.5 p -114.49 4.24 15.18 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 -177.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.75 5.38 5.19 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 178.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 27.6 p -75.97 150.59 37.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 119.895 -1.753 . . . . 0.0 112.403 -175.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.428 ' CE2' ' HB2' ' A' ' 22' ' ' GLN . 66.2 m95 -102.84 144.07 31.64 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.545 1.538 . . . . 0.0 113.789 -176.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.412 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.2 mp0 -143.0 160.43 40.36 Favored 'General case' 0 CA--C 1.498 -1.026 0 O-C-N 121.254 -0.904 . . . . 0.0 110.723 -177.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -72.23 117.77 14.28 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 169.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.59 -35.85 75.28 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 118.712 -1.708 . . . . 0.0 114.065 -176.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.0 p -67.96 -18.43 23.6 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 O-C-N 122.12 -0.635 . . . . 0.0 112.199 -177.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 88.9 m -80.4 -30.58 37.78 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.745 1.618 . . . . 0.0 112.642 170.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.8 mmt -93.92 -7.26 43.54 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 127.236 2.215 . . . . 0.0 113.247 -176.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.3 27.89 46.71 Favored Glycine 0 C--N 1.343 0.947 0 C-N-CA 125.989 1.757 . . . . 0.0 114.357 -176.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.94 151.35 50.59 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.315 1.046 . . . . 0.0 110.502 178.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.4 166.91 19.46 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 129.481 3.113 . . . . 0.0 107.937 178.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.92 -25.24 57.0 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 171.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -66.99 -37.91 85.08 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 171.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -101.16 1.14 38.83 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 -170.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.0 t -54.05 113.53 5.18 Favored Pre-proline 0 N--CA 1.487 1.415 0 CA-C-N 120.867 1.667 . . . . 0.0 110.191 -169.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -79.93 165.26 22.12 Favored 'Trans proline' 0 N--CA 1.45 -1.064 0 C-N-CA 122.459 2.106 . . . . 0.0 111.331 178.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.9 mp0 -69.7 -34.89 74.55 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 123.942 0.897 . . . . 0.0 109.467 175.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -130.41 79.82 1.92 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.953 1.301 . . . . 0.0 114.174 175.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.28 123.95 30.71 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 167.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 p -95.16 139.66 31.18 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 125.805 1.642 . . . . 0.0 110.212 169.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 p -93.65 147.36 23.08 Favored 'General case' 0 C--O 1.211 -0.968 0 CA-C-O 117.724 -1.131 . . . . 0.0 110.436 -177.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -37.4 -38.44 0.24 Allowed 'General case' 0 CA--C 1.554 1.106 0 N-CA-C 117.292 2.33 . . . . 0.0 117.292 169.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.43 -29.69 46.52 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 O-C-N 120.042 -1.661 . . . . 0.0 112.142 173.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 71.3 m -96.74 -62.17 1.3 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 127.427 2.291 . . . . 0.0 113.162 169.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -73.87 -36.54 64.84 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 -177.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.0 t0 . . . . . 0 N--CA 1.488 1.473 0 C-N-CA 126.773 2.029 . . . . 0.0 113.984 -172.323 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.849 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -59.76 152.39 23.01 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 120.275 1.398 . . . . 0.0 110.627 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 1.5 p -145.58 153.75 41.41 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 179.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.381 0 C-N-CA 125.489 1.516 . . . . 0.0 110.92 -174.541 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -141.89 150.45 41.54 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.203 1.401 . . . . 0.0 110.607 174.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 26.9 p -69.33 139.14 54.22 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.437 0.695 . . . . 0.0 111.984 175.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -155.26 163.7 39.79 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.256 1.423 . . . . 0.0 112.125 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 53.98 39.5 30.59 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 126.021 1.728 . . . . 0.0 114.173 173.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -71.64 -18.5 62.2 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -178.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 66.5 p -68.94 156.7 38.1 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.187 1.395 . . . . 0.0 113.197 177.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 33.9 p -69.36 134.44 49.06 Favored 'General case' 0 C--O 1.254 1.333 0 C-N-CA 125.334 1.454 . . . . 0.0 113.414 177.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.253 -3.6 0 CA-C-N 118.083 0.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.038 0 CA-C-O 120.235 -0.203 . . . . 0.0 112.721 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 55.48 38.59 30.47 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 126.029 1.731 . . . . 0.0 113.927 176.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -68.65 -34.66 76.1 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 49.33 10.96 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 117.638 2.459 . . . . 0.0 117.638 -170.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.272 0.0 OUTLIER 54.48 14.36 0.8 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 127.702 2.401 . . . . 0.0 115.3 175.36 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -86.44 158.5 19.58 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.145 1.778 . . . . 0.0 113.374 -174.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -88.44 120.37 29.76 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.878 0.871 . . . . 0.0 109.456 169.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -118.87 103.04 9.24 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 122.092 0.949 . . . . 0.0 112.933 -175.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -69.47 117.14 10.71 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.932 2.093 . . . . 0.0 109.066 169.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.0 t -140.34 107.49 2.5 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.608 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.152 -173.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.0 t -74.7 99.15 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 120.904 -1.122 . . . . 0.0 108.517 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 -126.45 89.78 3.06 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 125.184 1.394 . . . . 0.0 109.347 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.0 t -91.8 160.15 15.46 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 124.482 1.114 . . . . 0.0 112.002 169.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -54.83 -16.49 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 C-N-CA 125.201 1.4 . . . . 0.0 113.501 169.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.4 m -70.8 -15.31 62.65 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 126.06 1.744 . . . . 0.0 110.874 176.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 50.26 38.41 17.46 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.739 2.416 . . . . 0.0 113.091 -172.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.49 138.47 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 127.01 2.124 . . . . 0.0 109.041 177.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -86.36 8.06 23.09 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 123.858 0.863 . . . . 0.0 112.658 169.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -61.04 149.43 36.94 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 126.763 2.025 . . . . 0.0 110.569 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.46 118.76 37.47 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 124.841 2.258 . . . . 0.0 112.789 173.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -74.6 176.88 6.49 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 110.035 -3.257 . . . . 0.0 108.802 167.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -57.36 -34.25 68.62 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.882 1.273 . . . . 0.0 113.211 173.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -124.87 134.95 52.52 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.933 1.693 . . . . 0.0 113.796 177.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.8 mtp -137.28 152.46 49.81 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.414 1.486 . . . . 0.0 112.79 169.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.74 157.69 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 C-N-CA 125.945 1.698 . . . . 0.0 109.116 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.421 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 24.4 tt0 -109.92 136.02 49.87 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.878 0.871 . . . . 0.0 111.183 178.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.7 t -65.63 132.06 47.9 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 124.155 0.982 . . . . 0.0 110.549 171.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -71.74 -18.83 62.11 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -91.74 -52.09 4.92 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -173.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.532 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 17.2 p -114.2 4.97 15.72 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 115.942 1.83 . . . . 0.0 115.942 -177.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 69.38 3.73 4.29 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 117.054 2.242 . . . . 0.0 117.054 178.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.532 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 26.6 p -74.47 150.1 40.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 120.428 -1.42 . . . . 0.0 112.087 -173.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.421 ' CE2' ' HB2' ' A' ' 22' ' ' GLN . 65.8 m95 -102.57 143.65 31.99 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 125.244 1.417 . . . . 0.0 113.588 -176.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.418 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.2 mp0 -143.25 160.36 40.62 Favored 'General case' 0 CA--C 1.496 -1.133 0 O-C-N 120.928 -1.107 . . . . 0.0 110.604 -177.147 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -71.88 118.38 14.66 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 168.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.69 -36.13 77.31 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 118.706 -1.712 . . . . 0.0 114.115 -176.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.53 -18.01 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 122.171 -0.605 . . . . 0.0 112.272 -177.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.8 m -80.59 -29.71 36.91 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.016 1.726 . . . . 0.0 112.697 170.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.2 mmt -95.64 -7.62 37.11 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.128 2.171 . . . . 0.0 113.112 -176.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.0 27.12 46.66 Favored Glycine 0 C--N 1.342 0.915 0 C-N-CA 125.817 1.675 . . . . 0.0 114.394 -176.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.92 150.9 51.01 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 122.407 1.098 . . . . 0.0 110.38 178.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.39 166.77 19.75 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 129.255 3.022 . . . . 0.0 107.729 178.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.63 -25.05 52.15 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 170.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -67.42 -38.01 83.92 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 171.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -100.69 1.23 40.31 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 115.597 1.702 . . . . 0.0 115.597 -170.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.9 t -53.99 113.46 5.04 Favored Pre-proline 0 N--CA 1.487 1.389 0 CA-C-N 120.829 1.65 . . . . 0.0 110.293 -169.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -79.33 164.96 23.8 Favored 'Trans proline' 0 N--CA 1.45 -1.07 0 C-N-CA 122.585 2.19 . . . . 0.0 111.62 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.1 mp0 -70.11 -33.11 71.44 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.094 0.957 . . . . 0.0 109.463 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -133.0 81.95 1.97 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.964 1.306 . . . . 0.0 114.33 174.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.55 124.65 31.64 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 167.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 p -95.3 139.66 31.3 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 126.032 1.733 . . . . 0.0 110.025 169.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.6 p -93.57 147.34 23.08 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-O 117.644 -1.17 . . . . 0.0 110.374 -177.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -37.1 -38.47 0.2 Allowed 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 117.283 2.327 . . . . 0.0 117.283 169.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.6 t -61.57 -29.82 46.92 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 O-C-N 120.192 -1.567 . . . . 0.0 111.963 173.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 72.1 m -96.8 -62.24 1.29 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 127.396 2.278 . . . . 0.0 113.079 169.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -73.68 -36.46 65.31 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 115.602 1.705 . . . . 0.0 115.602 -177.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.3 t0 . . . . . 0 N--CA 1.489 1.502 0 C-N-CA 126.73 2.012 . . . . 0.0 113.801 -172.898 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.731 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 16.4 ttm-85 -59.56 151.85 23.48 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 120.232 1.378 . . . . 0.0 110.6 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 1.5 p -145.59 153.95 41.62 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.329 0 C-N-CA 125.372 1.469 . . . . 0.0 110.667 -174.684 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -140.65 145.0 36.02 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.154 1.382 . . . . 0.0 110.794 176.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 65.6 p -79.54 163.29 24.8 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 121.887 0.851 . . . . 0.0 112.376 176.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.95 -11.3 56.15 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 37.6 ttp85 -66.6 -31.36 72.01 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.513 1.125 . . . . 0.0 112.751 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -66.04 125.88 26.84 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.072 1.349 . . . . 0.0 110.963 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 71.0 p -71.86 156.43 39.3 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.024 1.33 . . . . 0.0 113.084 176.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 84.0 m -76.64 124.27 27.38 Favored 'General case' 0 C--O 1.254 1.297 0 C-N-CA 125.037 1.335 . . . . 0.0 111.446 175.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.254 -3.569 0 CA-C-N 118.703 0.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.901 0 N-CA-C 112.194 -0.363 . . . . 0.0 112.194 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 50.23 -91.37 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 127.216 2.207 . . . . 0.0 114.603 175.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -33.82 76.34 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.859 1.264 . . . . 0.0 114.058 178.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 51.28 13.42 0.18 Allowed 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 116.347 1.98 . . . . 0.0 116.347 -169.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.285 0.0 OUTLIER 56.44 11.07 0.76 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 128.184 2.594 . . . . 0.0 115.269 178.716 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -86.36 143.49 27.82 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.612 1.965 . . . . 0.0 112.009 173.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -92.46 114.53 27.1 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.78 0.832 . . . . 0.0 110.631 169.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -133.27 160.69 36.57 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.51 1.924 . . . . 0.0 111.866 -179.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -67.43 102.34 1.1 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.671 1.188 . . . . 0.0 107.839 174.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.9 t -134.3 107.28 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.117 1.367 . . . . 0.0 110.591 -169.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.8 t -75.08 100.65 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 122.093 0.949 . . . . 0.0 109.055 -178.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -127.68 89.81 3.01 Favored 'General case' 0 CA--C 1.51 -0.595 0 C-N-CA 125.45 1.5 . . . . 0.0 108.998 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 39.2 t -92.25 160.14 15.29 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.698 1.249 . . . . 0.0 112.109 170.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.5 pp -54.79 -16.72 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 125.177 1.391 . . . . 0.0 113.479 169.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.3 m -70.94 -15.65 62.61 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 126.086 1.755 . . . . 0.0 110.922 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 50.57 38.23 18.22 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 127.628 2.371 . . . . 0.0 113.04 -172.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.55 139.0 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 127.066 2.147 . . . . 0.0 108.823 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -87.03 7.81 26.12 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 123.799 0.84 . . . . 0.0 112.665 169.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -60.59 149.16 35.72 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.77 2.028 . . . . 0.0 110.836 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.47 118.62 37.11 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-O 124.822 2.248 . . . . 0.0 113.233 173.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -74.76 174.37 9.25 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 110.03 -3.259 . . . . 0.0 109.754 167.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -58.79 -20.43 49.93 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.6 1.56 . . . . 0.0 114.148 171.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -137.45 133.15 34.35 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.168 1.387 . . . . 0.0 113.644 174.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.7 mtp -136.57 151.59 49.54 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.317 1.447 . . . . 0.0 112.496 169.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.3 mt -129.99 157.68 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 C-N-CA 125.856 1.662 . . . . 0.0 109.179 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -109.85 136.16 49.59 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 123.92 0.888 . . . . 0.0 111.452 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 52.0 t -65.56 132.16 48.19 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.163 0.985 . . . . 0.0 110.714 171.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -71.81 -18.58 62.08 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 177.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -91.41 -52.24 4.89 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -173.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.528 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 16.9 p -114.16 4.24 15.49 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 116.072 1.878 . . . . 0.0 116.072 -177.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.54 5.17 5.03 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 178.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.528 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 27.7 p -76.0 151.04 37.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 119.756 -1.84 . . . . 0.0 111.951 -175.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -103.59 144.42 31.45 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 125.469 1.508 . . . . 0.0 113.697 -176.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.422 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.0 mp0 -143.72 160.01 41.47 Favored 'General case' 0 CA--C 1.496 -1.117 0 O-C-N 121.198 -0.939 . . . . 0.0 110.442 -176.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -71.81 118.81 15.12 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 169.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.77 -36.31 78.75 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 118.756 -1.688 . . . . 0.0 114.067 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.67 -18.59 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 O-C-N 122.069 -0.665 . . . . 0.0 112.165 -177.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.3 m -79.74 -29.98 40.72 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.598 1.559 . . . . 0.0 112.705 170.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.5 mmt -95.39 -7.7 37.72 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.265 2.226 . . . . 0.0 113.058 -175.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.74 27.28 47.21 Favored Glycine 0 C--N 1.343 0.932 0 C-N-CA 126.104 1.811 . . . . 0.0 114.593 -176.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.98 151.31 50.68 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.09 0.956 . . . . 0.0 110.443 178.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.51 167.26 18.94 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 129.312 3.045 . . . . 0.0 107.881 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.45 -24.87 58.22 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 171.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.17 -37.86 84.47 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 170.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -100.85 1.03 39.66 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.594 1.701 . . . . 0.0 115.594 -170.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.2 t -54.11 113.15 4.63 Favored Pre-proline 0 N--CA 1.487 1.41 0 CA-C-N 120.892 1.678 . . . . 0.0 110.105 -169.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -78.15 167.94 22.57 Favored 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 122.455 2.103 . . . . 0.0 111.305 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.77 -32.13 63.65 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.311 -0.868 . . . . 0.0 109.514 174.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -130.99 81.6 2.0 Favored 'General case' 0 C--N 1.34 0.159 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 175.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.51 125.38 32.34 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 114.618 -1.174 . . . . 0.0 107.967 167.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 p -96.19 138.78 33.31 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 125.325 1.45 . . . . 0.0 110.848 169.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.6 p -91.24 145.32 24.76 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-O 117.568 -1.206 . . . . 0.0 108.576 -176.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.478 ' HA ' ' H ' ' A' ' 53' ' ' ASP . 7.0 p90 -34.46 -45.05 0.22 Allowed 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 169.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.3 t -58.37 -31.62 43.26 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 O-C-N 120.218 -1.551 . . . . 0.0 111.956 176.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.8 m -91.26 -61.63 1.61 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.046 1.738 . . . . 0.0 111.531 168.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -59.34 2.76 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 115.929 1.826 . . . . 0.0 115.929 -178.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.478 ' H ' ' HA ' ' A' ' 49' ' ' TYR . 47.1 t0 . . . . . 0 N--CA 1.493 1.677 0 N-CA-C 118.119 2.637 . . . . 0.0 118.119 -175.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.875 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -59.7 152.69 22.03 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 120.451 1.478 . . . . 0.0 110.72 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p -146.26 154.37 41.64 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.326 0 C-N-CA 125.276 1.43 . . . . 0.0 111.059 -174.365 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -140.34 151.96 45.43 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.316 1.446 . . . . 0.0 111.329 172.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 68.0 p -79.82 160.44 26.12 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.266 1.027 . . . . 0.0 112.815 174.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . 62.63 158.45 0.07 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.77 2.428 . . . . 0.0 116.115 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -135.94 27.99 3.22 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.722 1.609 . . . . 0.0 112.762 -177.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -71.22 157.11 38.71 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.483 1.513 . . . . 0.0 112.42 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 50.2 m -142.32 155.17 45.17 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.687 1.595 . . . . 0.0 111.942 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 83.6 m -73.35 -53.52 10.58 Favored 'General case' 0 C--O 1.253 1.247 0 C-N-CA 124.82 1.248 . . . . 0.0 111.425 174.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.255 -3.53 0 CA-C-N 118.799 0.727 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.996 0 N-CA-C 112.164 -0.374 . . . . 0.0 112.164 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 48.8 m80 -62.75 -20.03 64.56 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -170.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -33.8 76.62 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 53.03 13.96 0.42 Allowed 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -168.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.17 6.25 1.75 Allowed 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 129.531 3.132 . . . . 0.0 114.854 -168.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -87.29 153.59 21.35 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.415 1.886 . . . . 0.0 112.643 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -92.09 114.17 26.64 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.65 0.78 . . . . 0.0 110.399 169.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -125.53 157.85 36.01 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 126.269 1.827 . . . . 0.0 112.308 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -67.3 102.39 1.07 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.067 1.347 . . . . 0.0 107.589 172.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.2 t -133.47 108.41 12.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.991 1.317 . . . . 0.0 110.908 -169.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.418 HG13 ' HE2' ' A' ' 20' ' ' MET . 97.6 t -74.57 100.68 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 120.943 -1.098 . . . . 0.0 109.198 -179.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -128.35 89.82 2.97 Favored 'General case' 0 CA--C 1.511 -0.535 0 C-N-CA 125.481 1.512 . . . . 0.0 109.133 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.7 t -92.02 160.23 15.34 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 124.7 1.25 . . . . 0.0 111.879 170.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.45 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -54.53 -16.57 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 125.097 1.359 . . . . 0.0 113.612 169.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.45 ' N ' HD12 ' A' ' 10' ' ' ILE . 9.3 m -71.05 -15.7 62.56 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 126.161 1.784 . . . . 0.0 110.82 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 50.8 38.04 18.58 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.559 2.344 . . . . 0.0 112.968 -172.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.52 138.75 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 127.09 2.156 . . . . 0.0 108.83 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -86.69 7.73 25.4 Favored 'General case' 0 CA--C 1.56 1.339 0 C-N-CA 123.794 0.838 . . . . 0.0 112.509 169.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.82 149.29 36.4 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 126.621 1.969 . . . . 0.0 110.757 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.24 119.22 38.83 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-O 124.911 2.291 . . . . 0.0 112.615 173.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -74.62 177.8 5.82 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 109.847 -3.342 . . . . 0.0 108.807 167.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -57.59 -33.74 68.5 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.705 1.202 . . . . 0.0 113.2 172.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -126.08 134.88 51.25 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.042 1.737 . . . . 0.0 114.08 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.418 ' HE2' HG13 ' A' ' 7' ' ' VAL . 26.8 mtp -137.61 151.97 48.88 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.583 1.553 . . . . 0.0 113.025 169.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.464 HD13 HD13 ' A' ' 37' ' ' LEU . 3.5 mt -131.2 156.82 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 125.818 1.647 . . . . 0.0 109.152 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -109.33 135.26 50.69 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.232 1.013 . . . . 0.0 111.291 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 46.9 t -65.44 132.38 48.8 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 124.252 1.021 . . . . 0.0 110.58 171.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -72.19 -18.68 61.84 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -90.99 -52.38 4.87 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -173.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.6 p -114.86 4.78 14.97 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 116.18 1.918 . . . . 0.0 116.18 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.88 5.11 5.08 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 116.741 2.126 . . . . 0.0 116.741 177.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.409 ' SG ' ' NE2' ' A' ' 30' ' ' GLN . 26.9 p -75.83 150.1 37.73 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 120.051 -1.656 . . . . 0.0 112.186 -175.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.415 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 65.9 m95 -102.53 144.4 31.01 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 125.705 1.602 . . . . 0.0 113.869 -176.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.409 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.3 mp0 -143.09 161.26 38.65 Favored 'General case' 0 CA--C 1.496 -1.13 0 O-C-N 121.211 -0.931 . . . . 0.0 110.48 -177.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -72.66 118.4 15.54 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 168.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.61 -35.76 74.98 Favored Glycine 0 CA--C 1.522 0.476 0 C-N-CA 118.812 -1.661 . . . . 0.0 114.102 -176.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.84 -18.2 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 122.149 -0.618 . . . . 0.0 112.103 -177.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 90.5 m -80.34 -29.73 38.03 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.527 1.531 . . . . 0.0 112.743 170.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.8 mmt -95.56 -7.96 36.43 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.429 2.291 . . . . 0.0 113.044 -175.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.21 27.63 43.77 Favored Glycine 0 C--N 1.343 0.944 0 C-N-CA 126.103 1.811 . . . . 0.0 114.348 -176.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.464 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -130.16 151.37 50.76 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 122.356 1.074 . . . . 0.0 110.429 178.485 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.58 167.06 19.33 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 129.462 3.105 . . . . 0.0 107.783 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.42 -24.77 57.56 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 171.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -67.22 -38.09 84.67 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 170.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -100.78 0.84 39.52 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 115.421 1.637 . . . . 0.0 115.421 -170.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.631 HG21 HG21 ' C' ' 3' ' ' THR . 68.8 t -54.0 113.0 4.38 Favored Pre-proline 0 N--CA 1.488 1.437 0 CA-C-N 120.895 1.679 . . . . 0.0 109.988 -169.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -77.94 167.83 23.04 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.468 2.112 . . . . 0.0 111.336 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -72.79 -31.81 65.12 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.22 -0.925 . . . . 0.0 109.637 175.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -132.87 82.66 2.01 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 125.043 1.337 . . . . 0.0 113.979 175.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.11 124.87 31.59 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 167.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.0 137.59 33.85 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 126.241 1.816 . . . . 0.0 111.272 169.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 p -93.51 148.49 22.03 Favored 'General case' 0 C--O 1.212 -0.914 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.018 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.417 ' HA ' ' H ' ' A' ' 53' ' ' ASP . 7.5 p90 -40.27 -37.83 0.7 Allowed 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 117.554 2.427 . . . . 0.0 117.554 170.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.1 -30.48 47.82 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 O-C-N 120.474 -1.391 . . . . 0.0 111.644 173.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 82.6 m -94.45 -62.71 1.28 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.421 1.889 . . . . 0.0 112.572 169.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -82.15 -30.95 30.77 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 117.117 2.266 . . . . 0.0 117.117 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.417 ' H ' ' HA ' ' A' ' 49' ' ' TYR . 34.2 t0 . . . . . 0 C--O 1.255 1.36 0 C-N-CA 126.594 1.958 . . . . 0.0 110.915 -168.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.852 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -58.18 151.0 20.05 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 120.24 1.382 . . . . 0.0 110.752 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' THR . . . . . 0.631 HG21 HG21 ' A' ' 42' ' ' VAL . 1.3 p -145.83 153.44 40.9 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.331 0 C-N-CA 125.686 1.594 . . . . 0.0 110.348 -174.704 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -137.12 151.45 48.87 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.608 1.163 . . . . 0.0 111.488 177.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 14.6 t -151.95 165.61 34.06 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.216 1.006 . . . . 0.0 112.015 173.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.11 -37.36 0.1 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.928 1.291 . . . . 0.0 113.672 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -150.44 172.32 15.63 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.74 1.616 . . . . 0.0 112.592 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -58.06 161.8 3.84 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.066 1.346 . . . . 0.0 113.055 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 87.3 p -74.62 3.1 8.34 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 116.628 2.085 . . . . 0.0 116.628 -170.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 74.4 p -66.39 141.75 57.84 Favored 'General case' 0 C--O 1.255 1.387 0 C-N-CA 125.256 1.423 . . . . 0.0 114.698 -175.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.253 -3.591 0 O-C-N 122.131 -0.356 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.056 0 N-CA-C 111.939 -0.464 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -62.98 -18.13 62.89 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 -170.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 20.0 ptp -64.05 -34.92 79.11 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 51.53 11.91 0.14 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.834 1.254 . . . . 0.0 114.113 -168.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.2 7.69 1.74 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 129.596 3.158 . . . . 0.0 114.791 -169.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -87.36 151.51 23.03 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.239 1.815 . . . . 0.0 112.698 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -92.13 114.47 27.02 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.991 0.917 . . . . 0.0 110.508 169.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -120.64 156.56 31.44 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.113 1.765 . . . . 0.0 112.335 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.66 102.87 1.97 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.31 1.444 . . . . 0.0 107.157 173.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.9 t -134.26 109.1 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.767 1.227 . . . . 0.0 111.202 -169.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.409 HG13 ' HE2' ' A' ' 20' ' ' MET . 95.6 t -74.41 99.8 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 O-C-N 120.933 -1.104 . . . . 0.0 108.996 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -126.91 89.76 3.04 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 125.368 1.467 . . . . 0.0 109.186 178.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.0 t -92.03 159.86 15.51 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 124.647 1.217 . . . . 0.0 111.917 170.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.457 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -54.26 -16.94 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 125.053 1.341 . . . . 0.0 113.677 169.029 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.457 ' N ' HD12 ' A' ' 10' ' ' ILE . 10.0 m -71.0 -15.26 62.56 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 126.434 1.894 . . . . 0.0 110.984 177.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 50.45 37.9 16.89 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 127.819 2.448 . . . . 0.0 112.98 -172.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.37 138.33 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 127.191 2.196 . . . . 0.0 108.849 177.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -86.47 8.06 23.38 Favored 'General case' 0 CA--C 1.562 1.412 0 C-N-CA 123.687 0.795 . . . . 0.0 112.577 169.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.45 149.86 32.91 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.673 1.989 . . . . 0.0 110.775 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.55 118.74 37.39 Favored 'General case' 0 N--CA 1.434 -1.26 0 CA-C-O 124.805 2.24 . . . . 0.0 112.745 172.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -74.43 178.21 5.41 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 109.934 -3.303 . . . . 0.0 109.083 167.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -57.77 -33.89 69.0 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.932 1.293 . . . . 0.0 113.084 172.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -126.8 134.8 50.49 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.946 1.698 . . . . 0.0 114.042 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.409 ' HE2' HG13 ' A' ' 7' ' ' VAL . 26.1 mtp -136.74 151.9 49.74 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.328 1.451 . . . . 0.0 113.008 169.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.467 HD13 HD13 ' A' ' 37' ' ' LEU . 3.3 mt -130.29 157.23 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 C-N-CA 125.863 1.665 . . . . 0.0 109.214 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -109.62 135.9 49.86 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.028 0.931 . . . . 0.0 111.11 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.1 t -65.6 131.89 47.48 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 124.275 1.03 . . . . 0.0 110.718 171.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -71.69 -18.52 62.16 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -91.57 -52.08 4.95 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -173.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 16.3 p -114.76 4.76 15.06 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 116.099 1.888 . . . . 0.0 116.099 -177.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.41 5.21 5.02 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 116.541 2.052 . . . . 0.0 116.541 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 28.1 p -75.98 150.38 37.45 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 119.735 -1.853 . . . . 0.0 112.133 -175.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.413 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 66.2 m95 -102.61 144.61 30.79 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.546 1.538 . . . . 0.0 113.845 -176.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.414 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.1 mp0 -143.66 160.22 41.07 Favored 'General case' 0 CA--C 1.497 -1.065 0 O-C-N 121.033 -1.042 . . . . 0.0 110.423 -177.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -72.09 118.44 14.97 Favored 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 169.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.35 -35.75 73.03 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 118.705 -1.712 . . . . 0.0 114.225 -176.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.4 -18.28 23.16 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 O-C-N 122.079 -0.659 . . . . 0.0 112.071 -176.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 93.3 m -80.24 -29.4 38.41 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.72 1.608 . . . . 0.0 112.895 170.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.8 mmt -95.33 -7.93 37.25 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 127.399 2.28 . . . . 0.0 113.111 -176.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.74 27.12 47.85 Favored Glycine 0 C--N 1.341 0.849 0 C-N-CA 125.969 1.747 . . . . 0.0 114.456 -176.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.467 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -129.83 151.25 50.61 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 122.288 1.042 . . . . 0.0 110.414 178.542 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.35 166.82 19.61 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 129.343 3.057 . . . . 0.0 107.751 178.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.25 -24.88 57.67 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 171.123 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -66.82 -38.02 85.63 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 170.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -100.94 1.14 39.49 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 -170.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.649 HG21 HG21 ' C' ' 3' ' ' THR . 71.1 t -54.27 112.96 4.43 Favored Pre-proline 0 N--CA 1.487 1.393 0 CA-C-N 120.941 1.7 . . . . 0.0 110.217 -169.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -78.89 165.34 24.47 Favored 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 122.443 2.095 . . . . 0.0 111.509 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.2 mp0 -69.97 -33.46 72.12 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 124.139 0.976 . . . . 0.0 109.601 176.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -132.99 82.2 1.98 Allowed 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 125.104 1.362 . . . . 0.0 114.092 174.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.407 ' CD1' HD11 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -84.4 125.54 32.42 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.115 167.445 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.7 p -95.61 138.17 33.66 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 125.651 1.58 . . . . 0.0 110.979 169.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.6 p -90.98 144.76 25.33 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-O 117.371 -1.3 . . . . 0.0 108.749 -176.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.642 ' HA ' ' H ' ' A' ' 53' ' ' ASP . 7.3 p90 -34.39 -44.81 0.2 Allowed 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 115.917 1.821 . . . . 0.0 115.917 169.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.4 t -58.22 -31.71 42.83 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 O-C-N 120.07 -1.644 . . . . 0.0 112.129 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.8 m -91.24 -60.9 1.78 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.866 1.666 . . . . 0.0 111.613 168.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.31 -59.16 2.85 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 116.174 1.916 . . . . 0.0 116.174 -178.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.642 ' H ' ' HA ' ' A' ' 49' ' ' TYR . 47.8 t0 . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 118.303 2.705 . . . . 0.0 118.303 -175.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.816 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 16.6 ttm-85 -59.19 151.73 22.22 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 120.248 1.385 . . . . 0.0 110.675 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' THR . . . . . 0.649 HG21 HG21 ' A' ' 42' ' ' VAL . 1.5 p -146.01 153.68 41.03 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.322 0 C-N-CA 125.418 1.487 . . . . 0.0 110.442 -174.187 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -139.02 149.46 44.68 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.226 1.41 . . . . 0.0 110.808 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 34.5 p -69.95 151.69 45.32 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.713 0.805 . . . . 0.0 112.416 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -149.58 164.62 34.61 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.464 1.506 . . . . 0.0 112.421 -177.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 65.82 149.81 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 127.977 2.511 . . . . 0.0 114.149 -175.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -66.94 155.0 39.68 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.764 1.226 . . . . 0.0 112.111 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 24.5 m -64.01 151.8 41.9 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.764 1.226 . . . . 0.0 113.086 178.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 35.3 p -67.35 -42.03 84.16 Favored 'General case' 0 C--O 1.253 1.241 0 C-N-CA 125.182 1.393 . . . . 0.0 113.293 173.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.255 -3.526 0 CA-C-N 119.59 1.086 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.0 0 N-CA-C 112.408 -0.277 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -73.41 -27.58 61.53 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 -175.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -35.16 71.4 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 115.978 1.844 . . . . 0.0 115.978 -169.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 50.57 14.63 0.18 Allowed 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -169.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.276 0.0 OUTLIER 59.22 -3.05 0.1 Allowed 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 130.011 3.324 . . . . 0.0 115.938 179.558 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -87.23 148.42 25.14 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 128.29 2.636 . . . . 0.0 112.61 170.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -92.98 114.38 26.93 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.171 0.589 . . . . 0.0 109.539 169.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -130.99 156.55 44.92 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.856 1.662 . . . . 0.0 112.448 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -68.87 102.22 1.52 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.219 1.407 . . . . 0.0 107.436 174.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.8 t -133.14 108.27 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 125.08 1.352 . . . . 0.0 110.72 -168.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.8 t -74.87 100.28 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 122.108 0.956 . . . . 0.0 109.073 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -128.33 90.03 3.01 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 125.47 1.508 . . . . 0.0 109.194 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.8 t -92.13 160.65 15.09 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 124.513 1.133 . . . . 0.0 111.957 170.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.455 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -54.48 -16.72 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 125.402 1.481 . . . . 0.0 113.484 168.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.455 ' N ' HD12 ' A' ' 10' ' ' ILE . 10.9 m -71.38 -15.44 62.37 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 126.073 1.749 . . . . 0.0 110.988 177.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 50.8 37.78 17.88 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.595 2.358 . . . . 0.0 113.13 -172.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.5 p -126.3 139.23 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 126.947 2.099 . . . . 0.0 108.853 177.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -86.83 8.03 24.56 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 123.818 0.847 . . . . 0.0 112.499 169.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.76 149.29 36.11 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 126.849 2.06 . . . . 0.0 110.636 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.63 118.84 37.64 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-O 124.516 2.103 . . . . 0.0 112.677 172.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -74.81 179.45 4.84 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 110.377 -3.101 . . . . 0.0 111.031 168.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.77 -14.97 60.91 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.206 1.403 . . . . 0.0 113.491 169.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -141.46 136.87 31.7 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 170.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 20.6 mtp -137.71 151.56 48.34 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.689 1.595 . . . . 0.0 113.274 169.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.485 HD13 HD13 ' A' ' 37' ' ' LEU . 3.6 mt -131.82 157.46 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 126.18 1.792 . . . . 0.0 109.076 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -109.16 136.01 49.34 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.327 1.051 . . . . 0.0 111.596 177.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.5 t -65.82 132.74 49.42 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.595 1.158 . . . . 0.0 110.619 171.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -72.84 -18.58 61.43 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 178.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -90.79 -51.96 5.11 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.24 0.829 . . . . 0.0 113.24 -173.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.0 p -114.93 4.16 14.73 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.94 5.79 5.43 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 116.792 2.145 . . . . 0.0 116.792 178.118 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.414 ' SG ' ' NE2' ' A' ' 30' ' ' GLN . 26.8 p -76.33 150.32 36.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 119.992 -1.693 . . . . 0.0 112.222 -175.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.422 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 65.3 m95 -102.71 143.93 31.73 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 125.741 1.616 . . . . 0.0 113.738 -176.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.414 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.4 mp0 -143.46 159.9 41.55 Favored 'General case' 0 CA--C 1.495 -1.137 0 O-C-N 121.283 -0.885 . . . . 0.0 110.458 -176.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -70.71 117.6 12.44 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 169.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.04 -39.24 89.32 Favored Glycine 0 N--CA 1.461 0.359 0 C-N-CA 118.934 -1.603 . . . . 0.0 113.936 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.91 -23.47 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.458 0.703 . . . . 0.0 112.743 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.8 m -75.99 -30.41 58.55 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.828 1.251 . . . . 0.0 112.76 171.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.1 mmt -95.04 -7.8 38.57 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 127.599 2.36 . . . . 0.0 113.455 -175.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.93 27.31 46.24 Favored Glycine 0 C--N 1.344 0.985 0 C-N-CA 126.306 1.908 . . . . 0.0 114.515 -176.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.485 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -130.11 152.16 49.85 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 122.321 1.057 . . . . 0.0 110.536 178.018 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.39 166.79 19.71 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 129.46 3.104 . . . . 0.0 107.9 178.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.6 -24.18 54.93 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 171.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -67.92 -38.17 82.59 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 170.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -100.28 1.62 41.87 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -170.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.642 HG21 HG21 ' C' ' 3' ' ' THR . 78.8 t -54.21 112.89 4.34 Favored Pre-proline 0 N--CA 1.49 1.533 0 CA-C-N 120.737 1.608 . . . . 0.0 110.17 -169.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -78.05 167.78 22.95 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 122.163 1.908 . . . . 0.0 111.193 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -73.82 -31.42 63.22 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.352 -0.843 . . . . 0.0 109.516 174.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -131.53 81.74 2.0 Allowed 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 174.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.03 124.93 31.6 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.522 -1.217 . . . . 0.0 107.8 167.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.29 137.75 33.92 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 125.959 1.704 . . . . 0.0 111.193 170.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.0 p -93.72 148.35 22.2 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-O 118.426 -0.797 . . . . 0.0 109.609 -176.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.401 ' HA ' ' H ' ' A' ' 53' ' ' ASP . 7.2 p90 -40.24 -37.96 0.71 Allowed 'General case' 0 CA--C 1.553 1.077 0 N-CA-C 117.571 2.434 . . . . 0.0 117.571 170.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.71 -31.09 48.39 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 O-C-N 120.36 -1.463 . . . . 0.0 111.567 173.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 85.4 m -93.85 -63.26 1.22 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.629 1.972 . . . . 0.0 112.455 169.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -81.88 -30.65 31.86 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 117.291 2.33 . . . . 0.0 117.291 -175.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' H ' ' HA ' ' A' ' 49' ' ' TYR . 31.7 t0 . . . . . 0 C--O 1.258 1.543 0 C-N-CA 126.542 1.937 . . . . 0.0 111.169 -168.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.831 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -59.77 151.0 26.44 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 120.359 1.436 . . . . 0.0 110.933 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' THR . . . . . 0.642 HG21 HG21 ' A' ' 42' ' ' VAL . 1.3 p -146.16 154.86 42.26 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.747 1.219 . . . . 0.0 112.883 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.629 0 N-CA-C 118.644 2.831 . . . . 0.0 118.644 -169.396 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 53.11 16.95 0.85 Allowed 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 -177.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 57.6 m 51.88 59.89 4.23 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.373 1.469 . . . . 0.0 111.595 -177.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.5 154.74 31.45 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.323 1.049 . . . . 0.0 113.149 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -71.24 -17.14 62.51 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -174.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.0 138.64 58.62 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.728 1.211 . . . . 0.0 111.898 -177.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 17.8 t -153.62 161.16 42.43 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.275 1.43 . . . . 0.0 111.603 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 79.1 m -71.82 -56.83 5.03 Favored 'General case' 0 C--O 1.251 1.182 0 C-N-CA 125.26 1.424 . . . . 0.0 111.951 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.256 -3.5 0 CA-C-N 119.088 0.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.005 0 N-CA-C 112.369 -0.293 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 40.9 t60 57.3 35.44 26.08 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.952 1.701 . . . . 0.0 114.495 176.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 18.0 ptm -67.52 -35.78 79.75 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.474 1.286 . . . . 0.0 114.474 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 47.97 12.22 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 -168.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.97 10.0 1.06 Allowed 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 128.985 2.914 . . . . 0.0 114.602 -169.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -87.19 154.84 20.41 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.272 1.829 . . . . 0.0 114.188 -173.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -86.91 114.04 23.21 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.036 1.734 . . . . 0.0 110.161 169.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -120.69 160.74 22.69 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.29 1.836 . . . . 0.0 113.269 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -66.89 102.75 1.01 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.169 1.788 . . . . 0.0 108.467 175.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.4 t -133.25 108.13 12.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.034 1.334 . . . . 0.0 111.225 -169.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.419 HG13 ' HE2' ' A' ' 20' ' ' MET . 93.1 t -74.8 99.95 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 O-C-N 120.86 -1.15 . . . . 0.0 109.361 -177.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.9 mtt85 -127.77 90.04 3.04 Favored 'General case' 0 CA--C 1.51 -0.593 0 C-N-CA 125.534 1.534 . . . . 0.0 109.29 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.1 t -92.26 160.15 15.28 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 124.556 1.16 . . . . 0.0 111.732 170.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.461 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -54.64 -16.83 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 C-N-CA 125.059 1.344 . . . . 0.0 113.554 168.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.461 ' N ' HD12 ' A' ' 10' ' ' ILE . 9.8 m -71.13 -15.08 62.48 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 126.213 1.805 . . . . 0.0 110.802 177.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 50.84 37.85 18.27 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 127.827 2.451 . . . . 0.0 113.056 -172.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.44 138.89 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 127.177 2.191 . . . . 0.0 108.882 177.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -86.94 7.98 25.12 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 123.764 0.826 . . . . 0.0 112.547 169.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -61.22 149.77 36.63 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 126.954 2.102 . . . . 0.0 110.69 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.75 116.56 31.91 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-O 125.928 2.775 . . . . 0.0 113.893 174.225 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -73.72 172.45 11.44 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 109.605 -3.452 . . . . 0.0 107.418 167.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -59.34 -32.95 70.56 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.442 0.905 . . . . 0.0 113.442 175.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -118.38 134.93 54.65 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.778 1.631 . . . . 0.0 114.561 172.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.419 ' HE2' HG13 ' A' ' 7' ' ' VAL . 25.2 mtp -137.66 152.52 49.4 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.71 1.604 . . . . 0.0 112.854 169.474 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.469 HD13 HD13 ' A' ' 37' ' ' LEU . 3.5 mt -131.48 157.14 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 125.961 1.704 . . . . 0.0 109.223 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -109.2 136.03 49.35 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.083 0.953 . . . . 0.0 111.548 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.2 t -65.95 133.17 50.29 Favored 'General case' 0 CA--C 1.519 -0.215 0 C-N-CA 124.409 1.084 . . . . 0.0 110.526 171.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -73.29 -18.17 61.24 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -91.29 -52.02 5.01 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -173.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.2 p -114.43 3.89 15.12 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.69 5.52 5.25 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 116.799 2.148 . . . . 0.0 116.799 178.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.412 ' SG ' ' NE2' ' A' ' 30' ' ' GLN . 27.2 p -75.92 150.06 37.6 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 119.944 -1.723 . . . . 0.0 112.197 -175.122 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.411 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 65.6 m95 -102.56 144.43 30.99 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 125.591 1.557 . . . . 0.0 113.929 -176.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.412 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.1 mp0 -143.11 160.75 39.82 Favored 'General case' 0 CA--C 1.498 -1.056 0 O-C-N 121.25 -0.906 . . . . 0.0 110.384 -177.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.1 m80 -72.17 118.06 14.57 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 168.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.41 -35.79 73.66 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 118.554 -1.784 . . . . 0.0 114.27 -176.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.76 -18.31 23.58 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 O-C-N 122.165 -0.609 . . . . 0.0 112.414 -177.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 88.1 m -79.91 -29.75 39.91 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.631 1.572 . . . . 0.0 112.741 170.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.8 mmt -95.35 -7.98 37.04 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 127.408 2.283 . . . . 0.0 113.291 -175.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.97 27.38 45.81 Favored Glycine 0 C--N 1.343 0.919 0 C-N-CA 125.951 1.739 . . . . 0.0 114.397 -176.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.469 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -129.93 150.82 51.05 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.346 1.059 . . . . 0.0 110.64 178.599 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.3 166.84 19.53 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 129.424 3.09 . . . . 0.0 107.783 178.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.09 -24.61 55.23 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 171.136 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -67.2 -38.07 84.71 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 170.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -101.3 1.34 38.6 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -170.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.64 HG21 HG21 ' C' ' 3' ' ' THR . 69.1 t -54.09 113.05 4.49 Favored Pre-proline 0 N--CA 1.488 1.471 0 CA-C-N 120.817 1.644 . . . . 0.0 109.992 -169.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -78.3 167.74 22.65 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 C-N-CA 122.508 2.138 . . . . 0.0 111.359 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.54 -31.86 63.89 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.383 -0.823 . . . . 0.0 109.77 174.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -131.47 81.26 1.97 Allowed 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 174.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.401 ' CD1' HD11 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -84.16 124.62 31.35 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.594 -1.184 . . . . 0.0 107.836 167.366 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 p -95.57 139.83 31.27 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 125.978 1.711 . . . . 0.0 110.272 169.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 p -93.88 147.23 23.28 Favored 'General case' 0 C--O 1.211 -0.958 0 CA-C-O 117.626 -1.178 . . . . 0.0 110.08 -177.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -36.95 -39.01 0.2 Allowed 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 117.3 2.334 . . . . 0.0 117.3 169.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.6 t -60.87 -30.07 46.63 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.073 0 O-C-N 120.341 -1.474 . . . . 0.0 112.074 173.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 69.5 m -96.67 -61.46 1.41 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 127.324 2.25 . . . . 0.0 113.461 169.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -74.28 -36.46 63.8 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 115.578 1.696 . . . . 0.0 115.578 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.0 t0 . . . . . 0 C--O 1.256 1.442 0 C-N-CA 126.931 2.093 . . . . 0.0 113.934 -172.468 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.794 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -59.81 150.98 26.63 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-N 120.376 1.444 . . . . 0.0 110.535 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' THR . . . . . 0.64 HG21 HG21 ' A' ' 42' ' ' VAL . 1.4 p -144.87 153.04 41.17 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.279 0 C-N-CA 125.946 1.698 . . . . 0.0 110.038 -175.279 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -134.46 133.6 40.63 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.02 0.928 . . . . 0.0 111.098 174.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 47.9 m -87.86 119.42 28.19 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.394 0.678 . . . . 0.0 111.285 -177.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.94 149.54 43.3 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.795 0.838 . . . . 0.0 112.1 172.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -125.04 161.3 27.04 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.564 1.546 . . . . 0.0 111.829 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 55.91 33.83 22.41 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.362 1.865 . . . . 0.0 114.015 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 18.0 t -69.72 153.21 43.69 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.26 1.024 . . . . 0.0 112.196 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 37.4 p -67.12 -50.82 60.08 Favored 'General case' 0 C--O 1.255 1.347 0 C-N-CA 125.628 1.571 . . . . 0.0 113.663 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.254 -3.549 0 CA-C-N 119.797 1.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.076 0 N-CA-C 112.081 -0.408 . . . . 0.0 112.081 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -73.17 -21.93 60.59 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -174.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -34.54 78.69 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 -173.421 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 50.68 13.9 0.15 Allowed 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -169.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.89 8.99 1.06 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 128.896 2.878 . . . . 0.0 114.532 -169.002 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -87.35 155.71 19.93 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.546 1.938 . . . . 0.0 113.605 -175.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -91.41 114.72 27.32 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.406 1.083 . . . . 0.0 110.258 169.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -120.35 161.72 20.68 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.127 1.771 . . . . 0.0 112.688 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -61.84 108.2 0.97 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.742 1.217 . . . . 0.0 109.831 169.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 50.6 t -138.84 109.58 4.77 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.573 0 CA-C-N 114.489 -1.232 . . . . 0.0 109.62 -172.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.407 HG13 ' HE2' ' A' ' 20' ' ' MET . 80.5 t -74.66 98.57 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -178.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -126.16 89.71 3.06 Favored 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 125.357 1.463 . . . . 0.0 109.335 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.4 t -91.86 159.78 15.62 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 124.536 1.148 . . . . 0.0 111.943 169.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.469 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.4 pp -54.29 -16.55 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 125.132 1.373 . . . . 0.0 113.714 169.091 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.469 ' N ' HD12 ' A' ' 10' ' ' ILE . 9.8 m -70.92 -15.44 62.61 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 126.058 1.743 . . . . 0.0 110.815 176.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 51.21 37.65 19.04 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.917 2.487 . . . . 0.0 112.893 -172.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.53 138.32 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 126.964 2.106 . . . . 0.0 109.205 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -86.16 8.28 21.62 Favored 'General case' 0 CA--C 1.561 1.372 0 C-N-CA 123.932 0.893 . . . . 0.0 112.739 170.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -61.87 150.87 36.14 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 126.807 2.043 . . . . 0.0 110.508 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.03 117.6 34.6 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-O 124.585 2.136 . . . . 0.0 112.661 172.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -74.25 176.51 6.59 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 110.122 -3.217 . . . . 0.0 109.469 167.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -58.68 -23.52 59.56 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.709 1.204 . . . . 0.0 113.674 173.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -135.92 138.52 42.47 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.384 1.474 . . . . 0.0 113.62 175.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.407 ' HE2' HG13 ' A' ' 7' ' ' VAL . 21.2 mtp -138.2 152.58 48.77 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 125.716 1.607 . . . . 0.0 113.52 169.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.503 HD13 HD13 ' A' ' 37' ' ' LEU . 3.3 mt -131.91 158.18 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 126.305 1.842 . . . . 0.0 109.172 179.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -109.36 136.66 48.43 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.188 0.995 . . . . 0.0 111.466 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.8 t -66.68 131.76 46.68 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 124.246 1.019 . . . . 0.0 110.45 171.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -71.48 -18.58 62.29 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -91.51 -52.25 4.87 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -173.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.489 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 16.7 p -114.73 4.93 15.14 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 -177.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.51 5.07 4.97 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 177.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.489 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 26.8 p -75.3 150.81 38.4 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 120.251 -1.53 . . . . 0.0 112.416 -176.073 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.414 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 66.8 m95 -103.1 143.72 32.24 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 125.457 1.503 . . . . 0.0 113.429 -176.09 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.415 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.4 mp0 -142.76 160.88 39.46 Favored 'General case' 0 CA--C 1.496 -1.107 0 O-C-N 121.041 -1.037 . . . . 0.0 110.7 -177.173 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -71.72 119.03 15.31 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 169.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.78 -35.15 73.34 Favored Glycine 0 C--O 1.228 -0.239 0 C-N-CA 118.464 -1.827 . . . . 0.0 114.183 -177.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.3 p -68.68 -19.04 23.79 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 O-C-N 122.035 -0.685 . . . . 0.0 111.978 -176.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 97.3 m -80.06 -28.37 39.24 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.674 1.59 . . . . 0.0 112.564 171.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 29.5 mmt -97.44 -6.82 33.05 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.423 2.289 . . . . 0.0 113.12 -176.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.51 23.43 47.19 Favored Glycine 0 C--N 1.343 0.944 0 C-N-CA 126.105 1.812 . . . . 0.0 114.849 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.503 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -129.75 152.0 49.72 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.465 1.106 . . . . 0.0 110.132 -177.034 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mt -128.88 167.92 16.69 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 130.321 3.448 . . . . 0.0 107.017 177.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.05 -26.17 59.9 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 171.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -68.23 -38.87 82.32 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 171.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -95.97 0.49 51.85 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 117.389 -1.291 . . . . 0.0 114.448 -171.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.638 HG21 HG21 ' C' ' 3' ' ' THR . 90.4 t -54.61 113.12 4.76 Favored Pre-proline 0 N--CA 1.486 1.37 0 CA-C-N 120.507 1.503 . . . . 0.0 110.046 -169.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -78.04 167.2 23.85 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 122.294 1.996 . . . . 0.0 111.563 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.82 -30.13 62.53 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.233 -0.917 . . . . 0.0 109.696 175.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -132.43 81.46 1.96 Allowed 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 174.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.25 124.52 31.3 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 167.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.21 138.02 33.48 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 126.423 1.889 . . . . 0.0 111.0 169.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.5 p -93.28 148.11 22.33 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-O 118.384 -0.817 . . . . 0.0 109.749 -176.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.42 ' HA ' ' H ' ' A' ' 53' ' ' ASP . 8.4 p90 -40.35 -37.53 0.68 Allowed 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 117.585 2.439 . . . . 0.0 117.585 170.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.15 -30.43 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 O-C-N 120.206 -1.559 . . . . 0.0 111.819 172.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.8 m -94.23 -63.02 1.23 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.474 1.91 . . . . 0.0 112.525 169.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -82.37 -30.75 30.12 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 117.128 2.27 . . . . 0.0 117.128 -175.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.42 ' H ' ' HA ' ' A' ' 49' ' ' TYR . 30.6 t0 . . . . . 0 C--O 1.258 1.534 0 C-N-CA 126.628 1.971 . . . . 0.0 111.102 -168.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -61.72 152.57 30.75 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 120.261 1.391 . . . . 0.0 110.567 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' THR . . . . . 0.638 HG21 HG21 ' A' ' 42' ' ' VAL . 1.3 p -146.9 152.64 39.01 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.902 1.281 . . . . 0.0 112.355 178.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.539 0 N-CA-C 116.603 2.075 . . . . 0.0 116.603 -169.536 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.3 20.62 2.75 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 173.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 39.2 p 51.35 18.98 0.7 Allowed 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 127.167 2.187 . . . . 0.0 115.416 -171.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . 54.34 19.96 2.49 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.561 1.945 . . . . 0.0 114.857 -171.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' ARG . . . . . 0.744 ' HE ' ' N ' ' C' ' 12' ' ' NH2 . 76.3 ttt180 -64.78 138.44 58.38 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.015 1.326 . . . . 0.0 112.162 -177.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -77.94 -165.2 0.61 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.98 1.712 . . . . 0.0 111.674 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 78.0 p -65.87 -23.23 66.61 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 121.103 -0.998 . . . . 0.0 113.546 173.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' THR . . . . . 0.413 ' HG1' ' N ' ' C' ' 12' ' ' NH2 . 41.3 p -72.16 -58.67 3.23 Favored 'General case' 0 C--O 1.253 1.257 0 C-N-CA 126.611 1.964 . . . . 0.0 113.045 174.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 12' ' ' NH2 . . . . . 0.744 ' N ' ' HE ' ' C' ' 8' ' ' ARG . . . . . . . . 0 C--N 1.251 -3.676 0 CA-C-N 119.781 1.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.856 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 33.1 m80 59.18 30.64 20.45 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.686 1.595 . . . . 0.0 115.131 169.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 22.0 ptp -66.53 -34.3 77.61 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 49.98 10.92 0.05 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 128.07 2.548 . . . . 0.0 117.375 -169.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.261 0.0 OUTLIER 59.05 -1.17 0.12 Allowed 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 129.365 3.066 . . . . 0.0 115.84 173.113 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -87.16 146.85 25.86 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 127.926 2.49 . . . . 0.0 113.155 176.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -92.2 114.57 27.15 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.007 0.923 . . . . 0.0 109.774 169.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -128.69 158.06 39.63 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.918 1.687 . . . . 0.0 112.332 -177.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.88 103.17 1.07 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.149 1.379 . . . . 0.0 107.643 175.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.9 t -135.76 108.12 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.443 1.097 . . . . 0.0 110.392 -169.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.3 t -74.45 99.44 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 O-C-N 120.953 -1.092 . . . . 0.0 108.668 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -126.69 89.76 3.05 Favored 'General case' 0 CA--C 1.51 -0.563 0 C-N-CA 125.168 1.387 . . . . 0.0 109.158 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.3 t -92.23 160.0 15.36 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 124.486 1.116 . . . . 0.0 111.565 170.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.47 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -54.29 -16.52 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 125.233 1.413 . . . . 0.0 113.803 169.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.47 ' N ' HD12 ' A' ' 10' ' ' ILE . 10.2 m -70.88 -15.57 62.63 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 126.065 1.746 . . . . 0.0 110.854 176.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 51.08 37.58 18.4 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.68 2.392 . . . . 0.0 113.082 -172.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.6 p -126.34 140.06 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 C-N-CA 127.306 2.242 . . . . 0.0 108.787 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -87.42 7.7 27.95 Favored 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 123.746 0.819 . . . . 0.0 112.494 169.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -56.6 147.3 22.68 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.1 1.76 . . . . 0.0 111.301 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -108.78 116.64 32.36 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-O 125.081 2.372 . . . . 0.0 111.866 171.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -75.08 174.24 9.65 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 109.522 -3.49 . . . . 0.0 109.557 167.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -58.72 -29.39 66.66 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.471 1.508 . . . . 0.0 114.227 171.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -126.65 131.31 51.47 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.122 1.369 . . . . 0.0 114.286 174.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 22.7 mtp -136.03 149.57 48.85 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.304 1.442 . . . . 0.0 112.463 169.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.463 HD13 HD13 ' A' ' 37' ' ' LEU . 3.5 mt -127.02 156.83 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 C-N-CA 126.219 1.807 . . . . 0.0 108.424 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.443 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 20.4 tt0 -110.09 134.9 51.69 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.183 0.902 . . . . 0.0 110.845 177.026 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.1 t -65.18 132.11 48.28 Favored 'General case' 0 CA--C 1.517 -0.297 0 C-N-CA 123.476 0.71 . . . . 0.0 110.158 172.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -72.08 -19.97 61.73 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 178.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -90.05 -52.31 5.02 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -173.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.9 p -115.15 4.73 14.65 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 -177.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.15 4.77 5.0 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 177.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.423 ' SG ' ' NE2' ' A' ' 30' ' ' GLN . 26.7 p -75.82 149.11 37.95 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 119.643 -1.91 . . . . 0.0 111.886 -175.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.443 ' CE2' ' HB2' ' A' ' 22' ' ' GLN . 68.3 m95 -100.42 144.99 28.77 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 125.132 1.373 . . . . 0.0 113.634 -178.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.1 mp0 -143.05 159.33 42.47 Favored 'General case' 0 CA--C 1.491 -1.303 0 O-C-N 121.379 -0.825 . . . . 0.0 109.943 -177.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -71.71 118.79 14.99 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 169.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.51 -36.23 76.5 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 118.654 -1.736 . . . . 0.0 114.72 -176.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.34 -19.78 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 122.11 -0.641 . . . . 0.0 111.996 -176.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 95.0 m -79.18 -29.49 42.98 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.662 1.585 . . . . 0.0 112.88 171.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.6 mmt -95.46 -7.27 38.69 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.229 2.212 . . . . 0.0 113.186 -176.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.54 26.9 49.53 Favored Glycine 0 C--N 1.343 0.917 0 C-N-CA 125.807 1.67 . . . . 0.0 114.618 -176.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.463 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -130.14 150.8 51.23 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.363 1.065 . . . . 0.0 110.254 179.378 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.44 167.93 17.82 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 129.011 2.925 . . . . 0.0 107.806 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.11 -23.78 56.21 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 171.256 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -68.48 -38.04 80.66 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 170.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -100.39 1.74 41.66 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 -170.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.491 HG21 HG21 ' C' ' 3' ' ' THR . 85.1 t -54.7 112.68 4.27 Favored Pre-proline 0 N--CA 1.484 1.26 0 CA-C-N 120.451 1.478 . . . . 0.0 110.368 -169.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.1 163.75 30.3 Favored 'Trans proline' 0 N--CA 1.449 -1.102 0 C-N-CA 122.096 1.864 . . . . 0.0 110.931 176.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.7 mp0 -67.96 -35.85 79.07 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 124.104 0.962 . . . . 0.0 109.164 175.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.4 mtmt -130.75 81.35 1.99 Allowed 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.356 1.462 . . . . 0.0 113.719 177.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.01 125.91 32.53 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 167.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 p -94.84 139.31 31.47 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 125.869 1.667 . . . . 0.0 109.927 169.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.6 p -93.09 147.75 22.6 Favored 'General case' 0 C--O 1.209 -1.028 0 CA-C-O 117.641 -1.171 . . . . 0.0 110.453 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -37.53 -38.09 0.24 Allowed 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 117.275 2.324 . . . . 0.0 117.275 169.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.85 -30.02 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 O-C-N 120.049 -1.657 . . . . 0.0 111.751 173.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 70.7 m -96.33 -62.07 1.33 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.22 2.208 . . . . 0.0 113.28 169.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -74.2 -36.45 63.99 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 t0 . . . . . 0 N--CA 1.488 1.469 0 C-N-CA 126.484 1.914 . . . . 0.0 114.18 -171.786 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.31 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 56.9 -73.95 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 129.95 3.3 . . . . 0.0 118.568 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' THR . . . . . 0.491 HG21 HG21 ' A' ' 42' ' ' VAL 0.261 4.7 p 56.02 155.0 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 128.622 2.769 . . . . 0.0 118.203 -169.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.754 0 N-CA-C 118.003 2.594 . . . . 0.0 118.003 -172.147 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 46.88 47.51 15.44 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 172.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 13.2 t -62.98 132.41 51.93 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 120.825 -1.172 . . . . 0.0 112.577 -175.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.98 -35.12 43.5 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' ARG . . . . . 0.723 HH22 ' N ' ' C' ' 12' ' ' NH2 . 48.3 ttt-85 -161.42 144.02 12.18 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.913 1.685 . . . . 0.0 111.0 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -70.49 176.27 4.19 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.21 1.004 . . . . 0.0 111.343 169.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 79.8 p -53.99 155.92 3.22 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.264 1.026 . . . . 0.0 112.458 172.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 34.0 m -37.1 107.43 0.06 Allowed 'General case' 0 C--O 1.253 1.28 0 C-N-CA 127.308 2.243 . . . . 0.0 114.617 -169.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' NH2 . . . . . 0.723 ' N ' HH22 ' C' ' 8' ' ' ARG . . . . . . . . 0 C--N 1.254 -3.558 0 O-C-N 123.478 0.486 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.981 0 N-CA-C 112.667 -0.173 . . . . 0.0 112.667 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 55.94 35.38 25.39 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 126.165 1.786 . . . . 0.0 114.757 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 22.9 ptt? -65.5 -34.38 78.13 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -176.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 49.74 10.7 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 128.251 2.62 . . . . 0.0 117.766 -172.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.269 0.0 OUTLIER 53.15 14.84 0.53 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 127.46 2.304 . . . . 0.0 115.597 175.612 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.14 159.33 19.55 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.087 1.755 . . . . 0.0 113.657 -171.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -79.66 114.68 18.76 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.188 0.595 . . . . 0.0 109.726 169.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -121.35 161.06 22.75 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 126.057 1.743 . . . . 0.0 112.431 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -67.61 102.5 1.18 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.49 1.516 . . . . 0.0 107.736 174.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.0 t -133.04 108.92 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.818 1.247 . . . . 0.0 110.346 -169.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.2 t -74.42 102.45 2.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 121.152 -0.968 . . . . 0.0 108.73 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -129.75 89.74 2.87 Favored 'General case' 0 CA--C 1.51 -0.577 0 C-N-CA 125.22 1.408 . . . . 0.0 108.71 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.3 t -92.73 159.44 15.42 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 124.675 1.234 . . . . 0.0 111.707 170.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.473 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -53.31 -17.15 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 125.037 1.335 . . . . 0.0 113.759 169.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.473 ' N ' HD12 ' A' ' 10' ' ' ILE . 10.8 m -69.7 -16.5 63.35 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 125.952 1.701 . . . . 0.0 110.766 175.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . 0.262 79.9 mm-40 48.71 40.32 15.64 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 128.849 2.86 . . . . 0.0 112.765 -173.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.1 141.06 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 128.606 2.762 . . . . 0.0 108.543 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -88.9 7.77 32.73 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 123.673 0.789 . . . . 0.0 112.572 169.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -56.82 147.47 23.19 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.759 1.623 . . . . 0.0 111.491 177.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -108.89 115.82 30.8 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 126.193 2.902 . . . . 0.0 112.45 172.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -74.08 172.38 11.81 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 108.987 -3.733 . . . . 0.0 107.472 167.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -61.08 -37.67 83.53 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -112.05 132.06 55.05 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.487 1.515 . . . . 0.0 114.08 172.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.8 mtp -136.52 150.06 48.46 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.176 1.39 . . . . 0.0 112.447 169.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.443 HG23 HG23 ' C' ' 3' ' ' THR . 3.3 mt -127.2 155.97 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 C-N-CA 126.084 1.754 . . . . 0.0 108.985 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.416 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 21.9 tt0 -109.68 134.54 51.86 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.024 0.829 . . . . 0.0 111.231 178.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.74 131.01 45.68 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 123.665 0.786 . . . . 0.0 110.301 171.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -72.24 -18.58 61.81 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -90.33 -51.71 5.29 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 -174.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.428 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 16.4 p -114.5 4.37 15.2 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 -178.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.75 4.56 4.79 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 116.679 2.103 . . . . 0.0 116.679 178.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.428 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 27.4 p -75.58 150.27 38.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 120.167 -1.583 . . . . 0.0 112.176 -174.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.416 ' CE2' ' HB2' ' A' ' 22' ' ' GLN . 65.7 m95 -102.97 144.32 31.41 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 125.153 1.381 . . . . 0.0 113.635 -176.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.421 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.0 mp0 -142.26 159.84 41.44 Favored 'General case' 0 CA--C 1.494 -1.179 0 CA-C-N 118.508 0.595 . . . . 0.0 110.214 -177.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -72.27 118.59 15.34 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 106.403 -1.703 . . . . 0.0 106.403 168.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.56 -36.65 78.92 Favored Glycine 0 N--CA 1.461 0.348 0 C-N-CA 118.955 -1.593 . . . . 0.0 114.462 -176.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.18 -19.12 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.408 0.683 . . . . 0.0 112.213 -176.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 93.9 m -79.86 -30.64 40.34 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.498 1.519 . . . . 0.0 112.897 170.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.7 mmt -93.76 -7.41 43.59 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.356 2.262 . . . . 0.0 113.05 -176.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.44 26.77 50.35 Favored Glycine 0 C--N 1.343 0.935 0 C-N-CA 125.851 1.691 . . . . 0.0 114.197 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.438 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -129.74 150.33 51.1 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.398 1.079 . . . . 0.0 110.289 178.814 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.53 167.36 18.8 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 129.051 2.941 . . . . 0.0 107.668 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.04 -24.7 55.74 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 170.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -67.7 -38.2 83.31 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 170.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -100.45 1.27 41.04 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 115.359 1.615 . . . . 0.0 115.359 -171.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.49 HG21 HG21 ' C' ' 3' ' ' THR . 90.9 t -54.28 112.99 4.46 Favored Pre-proline 0 N--CA 1.486 1.364 0 CA-C-N 120.726 1.603 . . . . 0.0 110.023 -169.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -75.93 168.66 23.72 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.184 1.923 . . . . 0.0 110.859 177.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -70.76 -37.54 73.4 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.266 -0.896 . . . . 0.0 108.693 173.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -128.73 82.68 2.1 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.194 1.398 . . . . 0.0 113.541 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.09 125.69 32.37 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 114.416 -1.265 . . . . 0.0 108.19 167.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.3 136.05 35.02 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 126.207 1.803 . . . . 0.0 110.987 169.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.7 p -91.8 147.1 23.23 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-O 117.493 -1.242 . . . . 0.0 109.925 -176.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.636 ' HA ' ' H ' ' A' ' 53' ' ' ASP . 6.2 p90 -34.8 -45.6 0.26 Allowed 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 169.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -59.14 -31.2 45.42 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 O-C-N 120.355 -1.466 . . . . 0.0 112.279 176.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 77.4 m -91.31 -60.23 1.95 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.642 1.577 . . . . 0.0 111.569 169.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -74.48 -62.29 1.58 Allowed 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.636 ' H ' ' HA ' ' A' ' 49' ' ' TYR . 47.0 t0 . . . . . 0 C--O 1.256 1.435 0 N-CA-C 117.766 2.506 . . . . 0.0 117.766 -172.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.348 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . 0.262 8.3 ttt180 44.67 -70.03 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.103 1 C-N-CA 131.741 4.016 . . . . 0.0 118.611 -175.024 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' C' C ' 3' ' ' THR . . . . . 0.49 HG21 HG21 ' A' ' 42' ' ' VAL 0.303 2.9 p 57.77 149.85 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 129.204 3.002 . . . . 0.0 119.048 -174.827 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.394 0 C-N-CA 125.896 1.678 . . . . 0.0 110.078 -176.749 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -132.79 131.49 41.16 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.999 0.92 . . . . 0.0 110.762 169.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 92.4 m -78.68 112.85 16.21 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.393 0.677 . . . . 0.0 111.408 -176.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.89 142.51 36.72 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.827 0.851 . . . . 0.0 110.747 169.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 88.8 mtt-85 -127.1 18.8 7.08 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -174.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.773 ' HZ3' ' N ' ' C' ' 12' ' ' NH2 . 8.8 ptmm? -63.71 144.58 56.91 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.025 1.33 . . . . 0.0 112.434 177.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 77.5 p -76.03 -21.71 56.54 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -173.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 50.3 p -140.62 -51.38 0.47 Allowed 'General case' 0 C--O 1.253 1.26 0 C-N-CA 126.404 1.882 . . . . 0.0 111.631 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' NH2 . . . . . 0.773 ' N ' ' HZ3' ' C' ' 9' ' ' LYS . . . . . . . . 0 C--N 1.253 -3.622 0 CA-C-N 118.649 0.659 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.085 0 N-CA-C 112.018 -0.433 . . . . 0.0 112.018 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -54.78 -29.27 53.82 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.05 1.74 . . . . 0.0 115.46 -169.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -32.79 74.62 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 178.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 55.16 16.8 1.73 Allowed 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 119.416 1.007 . . . . 0.0 113.017 -168.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.81 2.07 2.48 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 130.039 3.336 . . . . 0.0 115.318 -169.185 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -87.25 162.2 17.57 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.408 1.883 . . . . 0.0 112.336 169.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -90.64 112.31 23.98 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 169.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -136.45 161.34 36.11 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.304 1.842 . . . . 0.0 111.771 -178.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -61.5 104.88 0.46 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.231 1.012 . . . . 0.0 110.127 169.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.8 t -137.21 109.62 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.702 -173.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.416 HG13 ' HE2' ' A' ' 20' ' ' MET . 86.6 t -74.9 98.77 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 O-C-N 121.078 -1.014 . . . . 0.0 108.337 -177.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -126.37 89.63 3.04 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 125.094 1.357 . . . . 0.0 109.02 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.9 t -91.85 160.17 15.43 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 124.757 1.285 . . . . 0.0 111.804 169.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.466 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -54.4 -16.81 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 C-N-CA 125.108 1.363 . . . . 0.0 113.634 169.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.466 ' N ' HD12 ' A' ' 10' ' ' ILE . 9.3 m -70.63 -15.56 62.75 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 126.237 1.815 . . . . 0.0 110.835 177.15 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 50.74 37.54 17.06 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 127.735 2.414 . . . . 0.0 113.09 -172.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.48 138.14 55.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 C-N-CA 126.978 2.111 . . . . 0.0 108.955 177.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -86.15 7.99 22.73 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 123.833 0.853 . . . . 0.0 112.745 169.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -61.21 149.61 37.05 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 126.612 1.965 . . . . 0.0 110.465 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.46 117.93 35.3 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-O 124.715 2.198 . . . . 0.0 113.314 173.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -75.12 172.75 11.81 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 110.071 -3.24 . . . . 0.0 107.86 166.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -57.77 -32.56 67.61 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.429 1.092 . . . . 0.0 113.397 175.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -121.27 133.06 55.13 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.169 1.788 . . . . 0.0 114.169 175.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.416 ' HE2' HG13 ' A' ' 7' ' ' VAL . 25.7 mtp -137.13 151.33 48.72 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.118 1.367 . . . . 0.0 112.461 169.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.454 HD13 HD13 ' A' ' 37' ' ' LEU . 3.3 mt -127.81 157.09 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 C-N-CA 125.718 1.607 . . . . 0.0 108.861 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.435 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 26.9 tt0 -109.04 134.82 51.16 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.009 0.822 . . . . 0.0 111.568 177.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 46.5 t -65.04 129.69 40.63 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 123.82 0.848 . . . . 0.0 110.123 171.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -71.9 -18.14 62.06 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -89.9 -52.13 5.13 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -174.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.489 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 16.3 p -114.69 4.73 15.12 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 116.2 1.926 . . . . 0.0 116.2 -178.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.96 4.34 4.75 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 116.791 2.145 . . . . 0.0 116.791 177.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.489 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 27.2 p -75.1 151.06 38.65 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 120.383 -1.448 . . . . 0.0 112.254 -175.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.435 ' CE2' ' HB2' ' A' ' 22' ' ' GLN . 71.0 m95 -103.97 143.83 32.34 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.911 1.284 . . . . 0.0 113.859 -176.131 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.416 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.0 mp0 -142.56 160.14 40.87 Favored 'General case' 0 CA--C 1.497 -1.079 0 O-C-N 121.233 -0.917 . . . . 0.0 110.453 -177.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -71.92 118.68 15.08 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 169.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.49 -36.63 78.3 Favored Glycine 0 N--CA 1.461 0.338 0 C-N-CA 118.718 -1.706 . . . . 0.0 114.353 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.24 -18.52 24.2 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 C-N-CA 123.19 0.596 . . . . 0.0 112.32 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.5 m -80.21 -30.05 38.63 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.886 1.675 . . . . 0.0 112.732 171.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.5 mmt -94.82 -7.87 39.07 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 127.499 2.32 . . . . 0.0 113.167 -176.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.24 26.85 46.57 Favored Glycine 0 C--N 1.344 0.979 0 C-N-CA 126.079 1.799 . . . . 0.0 114.276 -176.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.454 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -129.94 150.35 51.27 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 122.39 1.09 . . . . 0.0 109.987 179.24 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.47 167.23 18.97 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 129.251 3.02 . . . . 0.0 107.668 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.51 -25.06 50.41 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 170.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.63 -37.91 83.12 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 170.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -100.9 1.49 39.95 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 -171.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.553 HG21 HG21 ' C' ' 3' ' ' THR . 91.3 t -54.43 113.54 5.35 Favored Pre-proline 0 N--CA 1.487 1.423 0 CA-C-N 120.611 1.55 . . . . 0.0 110.251 -169.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -77.46 164.38 28.68 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 122.494 2.129 . . . . 0.0 111.177 175.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.0 mp0 -67.0 -37.73 84.73 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 124.406 1.082 . . . . 0.0 108.939 174.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -130.32 82.28 2.05 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.487 1.515 . . . . 0.0 113.757 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.03 126.95 33.55 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.737 -1.119 . . . . 0.0 108.041 167.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.01 137.24 35.36 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 126.339 1.855 . . . . 0.0 111.241 170.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.2 p -93.15 148.18 22.24 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.041 -176.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.411 ' HA ' ' H ' ' A' ' 53' ' ' ASP . 7.4 p90 -40.02 -38.29 0.7 Allowed 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 117.641 2.46 . . . . 0.0 117.641 170.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.4 t -61.17 -29.28 45.47 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 O-C-N 120.422 -1.423 . . . . 0.0 111.736 173.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 86.3 m -95.43 -63.27 1.18 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.97 2.108 . . . . 0.0 112.483 169.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -81.95 -30.63 31.65 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 117.256 2.317 . . . . 0.0 117.256 -175.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.411 ' H ' ' HA ' ' A' ' 49' ' ' TYR . 29.7 t0 . . . . . 0 C--O 1.256 1.433 0 C-N-CA 126.574 1.95 . . . . 0.0 110.918 -168.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.362 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . 0.259 11.8 ttt180 50.35 -69.89 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.055 0 C-N-CA 131.238 3.815 . . . . 0.0 118.851 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 3' ' ' THR . . . . . 0.553 HG21 HG21 ' A' ' 42' ' ' VAL 0.315 6.0 p 57.64 149.57 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 119.431 3.122 . . . . 0.0 119.431 -173.842 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.458 0 C-N-CA 126.658 1.983 . . . . 0.0 109.913 -177.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -139.55 148.31 42.4 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.887 1.275 . . . . 0.0 111.412 176.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 30.2 p -123.16 11.89 9.51 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.55 149.77 45.52 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.798 0.839 . . . . 0.0 112.75 175.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -66.65 152.45 45.36 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.605 1.162 . . . . 0.0 112.256 -177.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.66 152.78 44.72 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.423 1.089 . . . . 0.0 112.257 172.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -74.78 151.17 39.13 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.526 1.13 . . . . 0.0 112.389 174.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 27.3 p -140.88 125.72 18.11 Favored 'General case' 0 C--O 1.254 1.328 0 C-N-CA 126.525 1.93 . . . . 0.0 112.112 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.253 -3.604 0 CA-C-N 118.092 0.405 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.788 0 N-CA-C 112.292 -0.323 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -81.01 -58.67 2.97 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.658 0.783 . . . . 0.0 112.701 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -81.75 -34.92 30.19 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.141 1.164 . . . . 0.0 114.141 -177.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 47.41 17.56 0.08 Allowed 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 -170.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.28 0.0 OUTLIER 51.11 16.6 0.38 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.957 2.103 . . . . 0.0 115.087 -172.009 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.98 158.95 19.75 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.208 1.803 . . . . 0.0 113.314 -174.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -80.12 114.48 19.06 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 121.262 0.554 . . . . 0.0 110.19 169.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -133.38 161.51 34.34 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.661 1.985 . . . . 0.0 111.789 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -67.72 102.19 1.17 Allowed 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.2 t -134.23 108.38 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 125.228 1.411 . . . . 0.0 110.658 -169.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.4 HG13 ' HE2' ' A' ' 20' ' ' MET . 94.6 t -74.7 99.77 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 O-C-N 121.113 -0.992 . . . . 0.0 109.143 -178.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -126.74 89.95 3.08 Favored 'General case' 0 CA--C 1.511 -0.535 0 C-N-CA 125.444 1.498 . . . . 0.0 109.041 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 39.7 t -92.43 160.14 15.22 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 124.825 1.328 . . . . 0.0 111.918 170.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.457 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -54.56 -16.67 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 C-N-CA 125.245 1.418 . . . . 0.0 113.585 168.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.457 ' N ' HD12 ' A' ' 10' ' ' ILE . 10.3 m -70.88 -15.55 62.63 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 126.098 1.759 . . . . 0.0 110.808 177.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 50.73 37.75 17.57 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 127.712 2.405 . . . . 0.0 113.172 -171.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.3 p -126.47 138.29 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 126.872 2.069 . . . . 0.0 109.046 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -86.64 7.94 24.38 Favored 'General case' 0 CA--C 1.56 1.36 0 C-N-CA 123.871 0.869 . . . . 0.0 112.338 169.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.49 150.6 35.24 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 126.743 2.017 . . . . 0.0 110.723 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.12 120.64 43.14 Favored 'General case' 0 N--CA 1.433 -1.319 0 CA-C-O 124.647 2.165 . . . . 0.0 111.925 173.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -74.53 -174.88 2.2 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 110.062 -3.245 . . . . 0.0 109.63 168.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -58.86 -40.28 83.83 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 120.943 -1.098 . . . . 0.0 112.848 169.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -124.53 137.0 54.44 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.236 1.815 . . . . 0.0 113.627 -178.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.4 ' HE2' HG13 ' A' ' 7' ' ' VAL . 25.9 mtp -136.93 152.41 50.16 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.288 1.435 . . . . 0.0 113.188 169.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.463 HD13 HD13 ' A' ' 37' ' ' LEU . 3.4 mt -131.81 156.76 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 125.928 1.691 . . . . 0.0 109.186 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -108.89 135.98 49.18 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.321 1.048 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.5 t -65.83 131.76 47.07 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 124.469 1.107 . . . . 0.0 110.577 171.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -71.5 -18.75 62.26 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 177.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -91.29 -52.52 4.76 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -173.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 16.5 p -114.09 4.48 15.65 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 116.089 1.885 . . . . 0.0 116.089 -178.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.65 5.47 5.22 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 178.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 27.5 p -76.27 151.08 36.88 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 119.949 -1.72 . . . . 0.0 111.958 -175.173 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.417 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 64.1 m95 -103.57 144.6 31.21 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 125.461 1.504 . . . . 0.0 113.587 -176.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.417 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.1 mp0 -143.4 160.45 40.52 Favored 'General case' 0 CA--C 1.496 -1.12 0 O-C-N 121.266 -0.896 . . . . 0.0 110.491 -176.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -71.9 118.6 14.96 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 169.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.63 -35.53 74.05 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 118.706 -1.711 . . . . 0.0 114.047 -176.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.75 -17.47 22.09 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 O-C-N 122.039 -0.683 . . . . 0.0 112.051 -176.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 89.5 m -80.74 -29.45 36.3 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.575 1.55 . . . . 0.0 112.612 170.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.6 mmt -95.96 -7.86 35.39 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.303 2.241 . . . . 0.0 113.231 -175.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.21 27.36 44.82 Favored Glycine 0 C--N 1.343 0.917 0 C-N-CA 126.022 1.772 . . . . 0.0 114.324 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.463 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -129.88 151.16 50.75 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 122.404 1.097 . . . . 0.0 110.658 178.436 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.37 166.79 19.68 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 129.39 3.076 . . . . 0.0 107.852 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.17 -24.96 58.0 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 171.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.01 -37.99 85.17 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 170.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -100.8 0.78 39.36 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -170.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.625 HG21 HG21 ' C' ' 3' ' ' THR . 71.0 t -53.85 113.07 4.42 Favored Pre-proline 0 N--CA 1.486 1.35 0 CA-C-N 120.895 1.68 . . . . 0.0 110.235 -169.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -79.16 165.24 23.96 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 122.539 2.159 . . . . 0.0 111.516 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.0 mp0 -69.57 -34.27 73.94 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 124.083 0.953 . . . . 0.0 109.514 175.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -132.47 81.61 1.96 Allowed 'General case' 0 C--O 1.233 0.21 0 C-N-CA 125.055 1.342 . . . . 0.0 114.115 175.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.416 ' CD1' HD11 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -84.35 125.85 32.67 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 114.688 -1.142 . . . . 0.0 107.927 167.494 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.6 p -95.87 139.14 32.51 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.623 1.569 . . . . 0.0 110.87 169.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.0 p -92.12 144.73 25.14 Favored 'General case' 0 C--O 1.211 -0.929 0 CA-C-O 117.471 -1.252 . . . . 0.0 109.15 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.561 ' HA ' ' H ' ' A' ' 53' ' ' ASP . 8.6 p90 -34.14 -43.71 0.16 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 169.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.4 t -60.1 -30.83 46.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 O-C-N 119.419 -2.051 . . . . 0.0 112.227 176.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.7 m -91.93 -61.1 1.7 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.067 1.747 . . . . 0.0 111.858 168.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -50.78 20.06 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 -177.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.561 ' H ' ' HA ' ' A' ' 49' ' ' TYR . 45.3 t0 . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 119.847 3.277 . . . . 0.0 119.847 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.847 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -57.01 149.59 18.68 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 120.373 1.442 . . . . 0.0 110.834 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' THR . . . . . 0.625 HG21 HG21 ' A' ' 42' ' ' VAL . 1.6 p -144.38 153.41 41.92 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.263 0 C-N-CA 125.895 1.678 . . . . 0.0 109.958 -175.022 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -129.77 136.09 49.22 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.025 0.93 . . . . 0.0 110.844 171.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 1.7 p -140.37 28.72 2.02 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.708 1.603 . . . . 0.0 112.722 -169.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.71 131.65 46.85 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.396 1.078 . . . . 0.0 113.075 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -91.14 -11.43 38.5 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.196 1.399 . . . . 0.0 113.527 176.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -62.37 149.05 43.41 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.845 1.658 . . . . 0.0 112.845 -175.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 19.6 m -66.07 154.93 38.24 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.146 1.378 . . . . 0.0 113.211 178.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 65.4 m -70.83 -53.15 16.34 Favored 'General case' 0 C--O 1.254 1.297 0 C-N-CA 124.853 1.261 . . . . 0.0 111.279 172.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.254 -3.575 0 CA-C-N 118.841 0.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.998 0 N-CA-C 112.095 -0.402 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -65.73 -17.7 64.8 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 -170.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -33.81 76.76 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 49.84 17.52 0.28 Allowed 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -169.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.282 0.0 OUTLIER 51.94 15.29 0.39 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 127.377 2.271 . . . . 0.0 115.076 -169.902 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -86.56 154.86 20.75 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.341 1.856 . . . . 0.0 112.788 -178.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -83.89 114.58 21.77 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 122.971 0.508 . . . . 0.0 109.986 169.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -123.71 154.45 39.43 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.796 1.638 . . . . 0.0 112.109 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -66.29 102.2 0.82 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.545 1.938 . . . . 0.0 107.62 173.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.1 t -136.17 111.95 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.16 1.384 . . . . 0.0 110.696 -168.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.405 HG13 ' HE2' ' A' ' 20' ' ' MET . 98.5 t -74.13 100.37 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 O-C-N 121.011 -1.056 . . . . 0.0 108.735 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -127.77 89.75 2.99 Favored 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 125.266 1.426 . . . . 0.0 108.946 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.7 t -92.85 159.86 15.18 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 124.604 1.19 . . . . 0.0 111.778 170.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.459 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -54.52 -16.27 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 C-N-CA 125.184 1.394 . . . . 0.0 113.773 169.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.459 ' N ' HD12 ' A' ' 10' ' ' ILE . 11.1 m -70.89 -15.68 62.63 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 125.992 1.717 . . . . 0.0 110.94 176.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 50.79 37.61 17.42 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.691 2.397 . . . . 0.0 113.072 -172.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.13 139.09 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 C-N-CA 127.523 2.329 . . . . 0.0 108.714 177.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -87.18 7.28 28.98 Favored 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 123.462 0.705 . . . . 0.0 112.457 169.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -58.15 149.08 24.72 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.549 1.54 . . . . 0.0 111.497 178.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -108.29 117.74 34.93 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-O 125.18 2.419 . . . . 0.0 111.657 171.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -75.0 175.36 8.22 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 109.35 -3.568 . . . . 0.0 108.077 167.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -57.92 -35.26 70.82 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.466 1.106 . . . . 0.0 113.347 174.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -122.19 132.73 54.6 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.109 1.763 . . . . 0.0 113.584 177.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.405 ' HE2' HG13 ' A' ' 7' ' ' VAL . 25.7 mtp -136.12 149.96 48.9 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.147 1.379 . . . . 0.0 112.383 170.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.457 HD13 HD13 ' A' ' 37' ' ' LEU . 3.5 mt -126.68 156.52 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 C-N-CA 125.868 1.667 . . . . 0.0 108.469 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -110.13 134.34 52.29 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.845 0.748 . . . . 0.0 111.189 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.5 t -64.56 130.08 42.29 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 123.848 0.859 . . . . 0.0 110.172 171.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -72.33 -18.21 61.78 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -89.54 -52.21 5.14 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -174.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.462 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 16.7 p -114.91 4.51 14.84 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 116.218 1.933 . . . . 0.0 116.218 -177.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.34 4.83 5.07 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 116.609 2.077 . . . . 0.0 116.609 177.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.462 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 26.8 p -76.32 150.48 36.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 120.31 -1.493 . . . . 0.0 112.185 -175.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 69.1 m95 -102.75 145.16 30.14 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 125.036 1.335 . . . . 0.0 113.821 -177.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.414 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 26.9 mp0 -142.86 159.7 41.74 Favored 'General case' 0 CA--C 1.493 -1.225 0 O-C-N 121.671 -0.643 . . . . 0.0 110.075 -178.218 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -72.11 118.82 15.45 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 169.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.27 -36.74 77.23 Favored Glycine 0 CA--C 1.522 0.478 0 C-N-CA 118.885 -1.626 . . . . 0.0 114.469 -176.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.0 p -67.48 -17.9 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.393 0.677 . . . . 0.0 112.062 -176.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.5 m -80.53 -30.38 37.16 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.741 1.616 . . . . 0.0 112.861 170.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.4 mmt -94.56 -7.88 39.8 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 127.501 2.32 . . . . 0.0 112.951 -176.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.19 26.44 48.25 Favored Glycine 0 C--N 1.344 1.001 0 C-N-CA 125.753 1.644 . . . . 0.0 114.394 -176.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.457 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -129.79 150.5 51.07 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 122.326 1.06 . . . . 0.0 110.254 178.695 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.21 167.96 17.59 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 128.951 2.9 . . . . 0.0 107.629 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.88 -25.04 55.96 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 170.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.8 -37.9 82.61 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 171.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -100.85 1.5 40.12 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -170.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.484 HG21 HG21 ' C' ' 3' ' ' THR . 93.3 t -54.64 112.79 4.36 Favored Pre-proline 0 N--CA 1.484 1.275 0 CA-C-N 120.695 1.589 . . . . 0.0 110.201 -169.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -76.01 167.61 25.73 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 122.43 2.086 . . . . 0.0 110.974 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.6 -36.52 73.58 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.427 -0.796 . . . . 0.0 109.009 173.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -129.28 82.68 2.09 Favored 'General case' 0 C--N 1.342 0.271 0 C-N-CA 125.206 1.402 . . . . 0.0 113.448 178.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.92 126.08 32.64 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.508 -1.224 . . . . 0.0 107.809 167.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.86 137.49 33.87 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 125.995 1.718 . . . . 0.0 111.246 169.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.1 p -93.32 148.84 21.69 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.251 -176.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.406 ' HA ' ' H ' ' A' ' 53' ' ' ASP . 7.1 p90 -40.66 -37.88 0.8 Allowed 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 117.786 2.513 . . . . 0.0 117.786 171.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.78 -30.96 48.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 O-C-N 120.601 -1.312 . . . . 0.0 111.633 173.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.8 m -93.83 -63.43 1.2 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.816 2.046 . . . . 0.0 112.665 169.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -81.82 -30.79 32.02 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 -175.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.406 ' H ' ' HA ' ' A' ' 49' ' ' TYR . 32.4 t0 . . . . . 0 C--O 1.255 1.381 0 C-N-CA 126.637 1.975 . . . . 0.0 110.928 -168.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 2.247 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 17.9 ttm-85 47.67 -70.68 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 131.154 3.782 . . . . 0.0 118.652 -176.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' THR . . . . . 0.484 HG21 HG21 ' A' ' 42' ' ' VAL 0.295 2.8 p 57.53 150.78 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 119.061 2.986 . . . . 0.0 119.061 -174.501 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.413 0 C-N-CA 125.725 1.61 . . . . 0.0 110.829 -176.496 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -139.88 146.41 39.27 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.231 1.413 . . . . 0.0 110.545 172.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 41.2 p -71.27 145.45 49.54 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.882 0.873 . . . . 0.0 112.812 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.08 157.3 38.04 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.715 0.806 . . . . 0.0 112.434 172.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' ARG . . . . . 0.791 HH12 ' N ' ' C' ' 12' ' ' NH2 . 8.2 ptm180 -151.07 152.61 33.67 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.561 1.544 . . . . 0.0 112.876 178.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -78.87 164.12 24.73 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.058 1.343 . . . . 0.0 112.68 172.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 19.4 m 62.42 175.87 0.14 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.413 1.885 . . . . 0.0 114.87 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 55.1 m -61.08 126.97 29.29 Favored 'General case' 0 C--O 1.252 1.204 0 C-N-CA 124.637 1.175 . . . . 0.0 111.164 175.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' NH2 . . . . . 0.791 ' N ' HH12 ' C' ' 8' ' ' ARG . . . . . . . . 0 C--N 1.251 -3.683 0 CA-C-N 118.915 0.779 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.107 0 N-CA-C 112.292 -0.323 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 29.3 p80 -68.08 -20.45 64.95 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -172.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -34.04 77.47 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -177.291 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 48.28 19.03 0.18 Allowed 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -169.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.272 0.0 OUTLIER 50.3 16.94 0.3 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 127.027 2.131 . . . . 0.0 114.979 -169.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.97 160.0 19.48 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.468 1.907 . . . . 0.0 113.32 -174.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -79.09 114.07 17.73 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.295 0.569 . . . . 0.0 110.15 169.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -134.33 163.28 30.0 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.782 2.033 . . . . 0.0 111.743 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -67.12 102.31 1.0 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.942 1.297 . . . . 0.0 108.047 176.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.4 t -133.53 107.8 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 125.135 1.374 . . . . 0.0 110.8 -169.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.423 HG13 ' HE2' ' A' ' 20' ' ' MET . 92.1 t -74.81 100.59 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 120.949 -1.094 . . . . 0.0 109.167 -178.341 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -128.69 90.02 2.98 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 125.381 1.472 . . . . 0.0 109.102 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.4 t -92.31 160.43 15.13 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 124.596 1.185 . . . . 0.0 112.012 170.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.453 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -54.96 -16.41 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 C-N-CA 125.056 1.343 . . . . 0.0 113.641 168.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.453 ' N ' HD12 ' A' ' 10' ' ' ILE . 10.1 m -71.49 -15.45 62.32 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 126.25 1.82 . . . . 0.0 110.937 176.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 50.72 38.02 18.25 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.731 2.412 . . . . 0.0 113.147 -172.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.52 138.75 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 127.275 2.23 . . . . 0.0 108.884 177.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -86.96 7.89 25.55 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 123.781 0.832 . . . . 0.0 112.369 169.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -61.0 149.28 37.25 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.737 2.015 . . . . 0.0 110.553 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.58 118.92 37.86 Favored 'General case' 0 N--CA 1.432 -1.368 0 CA-C-O 124.841 2.258 . . . . 0.0 113.133 173.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -74.59 175.72 7.57 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 109.82 -3.355 . . . . 0.0 109.092 167.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -58.12 -29.03 65.19 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.21 1.404 . . . . 0.0 113.985 171.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -128.93 133.47 47.86 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.307 1.443 . . . . 0.0 114.152 175.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.423 ' HE2' HG13 ' A' ' 7' ' ' VAL . 26.6 mtp -136.66 151.75 49.64 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.013 1.325 . . . . 0.0 112.794 169.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.464 HD13 HD13 ' A' ' 37' ' ' LEU . 3.4 mt -130.71 156.5 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 125.857 1.663 . . . . 0.0 109.242 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -109.2 135.5 50.2 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.203 1.001 . . . . 0.0 111.099 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.4 t -65.36 131.92 47.68 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 124.549 1.14 . . . . 0.0 110.472 171.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -72.15 -18.57 61.87 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -91.06 -52.25 4.93 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -173.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.1 p -114.73 4.57 15.04 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 115.937 1.829 . . . . 0.0 115.937 -177.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.91 4.68 4.89 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 116.731 2.123 . . . . 0.0 116.731 178.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.41 ' SG ' ' NE2' ' A' ' 30' ' ' GLN . 26.7 p -75.8 150.41 37.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 120.035 -1.665 . . . . 0.0 112.129 -174.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.413 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 65.1 m95 -102.98 144.14 31.65 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 125.098 1.359 . . . . 0.0 113.757 -176.367 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.41 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.1 mp0 -142.84 160.66 39.91 Favored 'General case' 0 CA--C 1.497 -1.064 0 O-C-N 121.222 -0.924 . . . . 0.0 110.716 -177.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -72.03 118.55 15.04 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 169.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.8 -35.92 77.14 Favored Glycine 0 CA--C 1.521 0.409 0 C-N-CA 118.712 -1.708 . . . . 0.0 113.955 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.69 -18.48 23.85 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 123.319 0.648 . . . . 0.0 112.248 -177.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 88.3 m -80.28 -29.39 38.27 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.735 1.614 . . . . 0.0 112.676 171.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.1 mmt -96.0 -7.42 36.44 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 127.553 2.341 . . . . 0.0 113.061 -175.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.71 27.26 47.45 Favored Glycine 0 C--N 1.343 0.971 0 C-N-CA 125.954 1.74 . . . . 0.0 114.445 -176.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.464 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -130.03 151.64 50.36 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 122.257 1.027 . . . . 0.0 110.587 178.277 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.68 167.01 19.49 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 129.469 3.108 . . . . 0.0 107.689 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.22 -25.16 58.64 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 171.131 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -67.02 -37.91 84.99 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 170.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -100.96 1.21 39.51 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -170.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.633 HG21 HG21 ' C' ' 3' ' ' THR . 71.6 t -54.23 113.39 5.04 Favored Pre-proline 0 N--CA 1.486 1.34 0 CA-C-N 121.009 1.731 . . . . 0.0 110.111 -169.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -79.32 165.09 23.71 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 122.409 2.072 . . . . 0.0 111.553 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.7 mp0 -69.59 -33.85 73.28 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 124.017 0.927 . . . . 0.0 109.408 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -132.49 82.11 1.99 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.174 1.39 . . . . 0.0 114.045 175.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.27 125.39 32.2 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 167.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.57 137.92 33.96 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 126.307 1.843 . . . . 0.0 111.02 170.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.4 p -93.57 148.41 22.12 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-O 118.167 -0.92 . . . . 0.0 109.907 -176.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.414 ' HA ' ' H ' ' A' ' 53' ' ' ASP . 7.6 p90 -40.33 -38.17 0.77 Allowed 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 117.702 2.482 . . . . 0.0 117.702 170.352 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.69 -30.64 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 120.523 -1.36 . . . . 0.0 111.674 173.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 82.7 m -94.21 -62.88 1.26 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.297 1.839 . . . . 0.0 112.57 169.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -82.45 -30.5 29.98 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 117.281 2.326 . . . . 0.0 117.281 -175.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.414 ' H ' ' HA ' ' A' ' 49' ' ' TYR . 29.9 t0 . . . . . 0 C--O 1.256 1.405 0 C-N-CA 126.522 1.929 . . . . 0.0 110.877 -168.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.826 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -56.84 150.74 15.77 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 120.246 1.384 . . . . 0.0 110.853 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 3' ' ' THR . . . . . 0.633 HG21 HG21 ' A' ' 42' ' ' VAL . 1.6 p -145.33 152.63 40.2 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.283 0 C-N-CA 125.565 1.546 . . . . 0.0 110.404 -174.483 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -130.9 23.44 4.96 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.165 0.986 . . . . 0.0 113.036 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 17.5 p 61.99 14.86 6.77 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 126.437 1.895 . . . . 0.0 115.706 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -146.98 164.15 33.9 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.531 1.532 . . . . 0.0 112.659 -176.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 56.44 33.78 23.08 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 126.221 1.808 . . . . 0.0 114.038 177.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 33.9 tttm -63.57 140.82 58.91 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.236 1.414 . . . . 0.0 111.575 177.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 79.6 p -71.83 162.87 28.8 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.8 1.24 . . . . 0.0 112.916 170.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 40.3 m -60.16 117.44 5.15 Favored 'General case' 0 C--O 1.254 1.326 0 C-N-CA 125.006 1.322 . . . . 0.0 112.243 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.253 -3.599 0 CA-C-N 118.5 0.591 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.051 0 N-CA-C 111.988 -0.445 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -73.41 -21.6 60.44 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -175.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -34.03 77.36 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -173.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 49.81 17.22 0.25 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 -169.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.283 0.0 OUTLIER 52.04 15.0 0.37 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 127.26 2.224 . . . . 0.0 114.98 -171.225 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -86.93 155.4 20.23 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.457 1.903 . . . . 0.0 112.899 -178.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -86.76 114.87 23.79 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.567 0.747 . . . . 0.0 110.315 169.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -123.05 158.34 30.8 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.078 1.751 . . . . 0.0 112.309 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -68.11 102.28 1.3 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.213 1.405 . . . . 0.0 107.767 173.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.9 t -133.34 108.33 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.161 1.384 . . . . 0.0 110.882 -169.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 81.6 t -74.27 100.68 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 121.065 -1.022 . . . . 0.0 108.548 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -128.39 89.61 2.93 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 125.632 1.573 . . . . 0.0 108.933 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.9 t -91.72 159.72 15.7 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.46 1.104 . . . . 0.0 111.98 170.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.472 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.4 pp -53.85 -17.26 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 125.03 1.332 . . . . 0.0 113.737 168.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.472 ' N ' HD12 ' A' ' 10' ' ' ILE . 9.6 m -69.6 -16.95 63.49 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 126.005 1.722 . . . . 0.0 110.819 175.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . 0.253 79.4 mm-40 48.31 41.17 15.84 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 129.163 2.985 . . . . 0.0 112.953 -173.062 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -125.98 140.7 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 128.396 2.678 . . . . 0.0 108.767 176.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -88.37 7.44 32.5 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.712 0.805 . . . . 0.0 112.976 170.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -60.77 152.21 27.56 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.58 1.552 . . . . 0.0 111.785 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.04 120.22 41.7 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 124.781 2.229 . . . . 0.0 111.094 169.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -74.49 -179.32 3.96 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 109.666 -3.425 . . . . 0.0 109.475 167.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -60.09 -21.95 62.14 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.671 1.188 . . . . 0.0 113.915 171.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -140.6 138.62 34.56 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.056 1.343 . . . . 0.0 113.573 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 20.9 mtp -138.84 151.16 46.77 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 125.508 1.523 . . . . 0.0 113.638 170.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.485 HD13 HD13 ' A' ' 37' ' ' LEU . 3.5 mt -129.59 157.48 42.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 C-N-CA 126.255 1.822 . . . . 0.0 108.888 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.451 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 24.1 tt0 -109.32 134.98 51.13 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.879 0.763 . . . . 0.0 111.524 177.284 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.9 t -65.46 129.85 41.22 Favored 'General case' 0 CA--C 1.515 -0.394 0 C-N-CA 123.821 0.848 . . . . 0.0 110.116 171.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -71.64 -18.18 62.22 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -90.04 -52.07 5.15 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -174.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.5 p -114.88 5.0 15.0 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 116.143 1.905 . . . . 0.0 116.143 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.96 4.45 4.8 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 177.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.422 ' SG ' ' NE2' ' A' ' 30' ' ' GLN . 26.7 p -76.03 151.0 37.27 Favored 'General case' 0 C--O 1.221 -0.427 0 O-C-N 120.299 -1.501 . . . . 0.0 112.034 -175.228 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.451 ' CE2' ' HB2' ' A' ' 22' ' ' GLN . 70.8 m95 -103.7 144.39 31.52 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 125.027 1.331 . . . . 0.0 113.898 -176.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.422 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.2 mp0 -142.95 159.72 41.7 Favored 'General case' 0 CA--C 1.492 -1.271 0 O-C-N 121.615 -0.678 . . . . 0.0 110.244 -177.141 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -71.34 118.17 13.81 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 168.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.93 -36.52 73.77 Favored Glycine 0 C--O 1.228 -0.238 0 C-N-CA 118.798 -1.667 . . . . 0.0 113.975 -177.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.9 p -67.54 -19.03 24.7 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 O-C-N 122.113 -0.64 . . . . 0.0 112.074 -176.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.7 m -80.64 -30.15 36.69 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.781 1.632 . . . . 0.0 112.651 172.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.0 mmt -94.69 -6.9 42.19 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.386 2.274 . . . . 0.0 112.818 -177.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.43 27.29 48.56 Favored Glycine 0 C--N 1.343 0.938 0 C-N-CA 126.465 1.983 . . . . 0.0 114.578 -177.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.485 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -130.04 151.71 50.29 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 122.297 1.046 . . . . 0.0 110.423 178.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.59 167.87 18.02 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 129.458 3.103 . . . . 0.0 107.765 179.232 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.45 -24.34 55.11 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 170.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -68.19 -38.28 81.82 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 171.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -99.82 1.75 43.32 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -170.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.528 HG21 HG21 ' C' ' 3' ' ' THR . 93.0 t -54.6 112.77 4.33 Favored Pre-proline 0 N--CA 1.482 1.145 0 CA-C-N 120.38 1.445 . . . . 0.0 110.599 -169.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -77.26 164.16 29.4 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 122.37 2.046 . . . . 0.0 111.047 175.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.9 mp0 -67.12 -37.25 83.54 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.138 0.975 . . . . 0.0 108.879 175.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -130.34 82.18 2.05 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.573 1.549 . . . . 0.0 113.819 177.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.01 127.39 33.85 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.631 -1.168 . . . . 0.0 107.992 167.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.6 137.38 35.77 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 126.374 1.87 . . . . 0.0 111.298 170.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.0 p -93.62 148.72 21.84 Favored 'General case' 0 C--O 1.211 -0.973 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.349 -176.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.408 ' HA ' ' H ' ' A' ' 53' ' ' ASP . 6.7 p90 -40.61 -38.0 0.81 Allowed 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 117.649 2.463 . . . . 0.0 117.649 170.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.93 -30.61 47.82 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 O-C-N 120.278 -1.514 . . . . 0.0 111.656 173.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 82.0 m -94.45 -62.92 1.24 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.503 1.921 . . . . 0.0 112.671 169.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -82.0 -30.59 31.48 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 117.264 2.32 . . . . 0.0 117.264 -175.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.408 ' H ' ' HA ' ' A' ' 49' ' ' TYR . 29.5 t0 . . . . . 0 C--O 1.255 1.365 0 C-N-CA 126.515 1.926 . . . . 0.0 111.029 -168.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.316 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . 0.267 15.4 ttm-85 49.28 -71.76 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 131.032 3.733 . . . . 0.0 118.572 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 3' ' ' THR . . . . . 0.528 HG21 HG21 ' A' ' 42' ' ' VAL 0.289 8.2 p 57.66 148.71 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 128.818 2.847 . . . . 0.0 118.119 -171.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.717 0 N-CA-C 118.71 2.856 . . . . 0.0 118.71 -169.993 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 61.95 -85.97 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.621 1.101 . . . . 0.0 111.504 -168.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 76.1 p -142.2 145.53 34.23 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.905 1.682 . . . . 0.0 112.234 173.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.35 -41.24 28.33 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.723 0.809 . . . . 0.0 111.539 169.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -68.65 149.18 49.42 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.673 1.189 . . . . 0.0 111.065 169.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -74.6 155.77 37.49 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.412 1.085 . . . . 0.0 112.006 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 29.0 t -66.8 146.6 54.26 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.762 0.825 . . . . 0.0 111.851 174.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 13.6 t -154.08 -40.29 0.09 Allowed 'General case' 0 C--O 1.254 1.332 0 C-N-CA 126.012 1.725 . . . . 0.0 112.171 -176.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.255 -3.541 0 CA-C-N 119.575 1.08 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.942 0 N-CA-C 112.098 -0.401 . . . . 0.0 112.098 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -84.95 -61.02 1.88 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.618 0.767 . . . . 0.0 112.416 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -34.57 38.46 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -176.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 49.95 11.3 0.06 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 117.631 2.456 . . . . 0.0 117.631 -172.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.268 0.0 OUTLIER 53.17 15.96 0.71 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 127.34 2.256 . . . . 0.0 115.659 175.355 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.75 158.95 19.89 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.598 1.559 . . . . 0.0 113.8 -170.073 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -80.25 114.96 19.53 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.787 0.835 . . . . 0.0 110.113 169.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -120.74 159.68 24.9 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.173 1.789 . . . . 0.0 112.437 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -67.15 102.64 1.06 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.573 1.549 . . . . 0.0 107.823 173.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.4 t -133.16 109.02 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.907 1.283 . . . . 0.0 110.692 -169.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 99.4 t -74.73 101.31 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 120.966 -1.084 . . . . 0.0 108.777 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -128.55 89.57 2.92 Favored 'General case' 0 CA--C 1.511 -0.532 0 C-N-CA 124.872 1.269 . . . . 0.0 109.089 178.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.0 t -92.64 159.86 15.26 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 124.727 1.267 . . . . 0.0 111.754 170.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.459 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -54.89 -16.23 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 C-N-CA 125.376 1.47 . . . . 0.0 113.497 169.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.459 ' N ' HD12 ' A' ' 10' ' ' ILE . 10.2 m -70.97 -15.91 62.61 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 126.226 1.81 . . . . 0.0 110.723 177.064 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 50.69 37.72 17.34 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 127.408 2.283 . . . . 0.0 113.07 -172.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.24 139.18 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 127.518 2.327 . . . . 0.0 108.675 177.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -87.06 7.59 27.17 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 123.627 0.771 . . . . 0.0 112.498 169.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -58.31 148.94 25.83 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.882 1.673 . . . . 0.0 111.444 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -108.28 117.79 35.08 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 125.299 2.476 . . . . 0.0 111.832 172.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -74.95 174.48 9.24 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 109.518 -3.492 . . . . 0.0 108.723 167.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -58.47 -29.57 66.3 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.49 1.116 . . . . 0.0 113.512 173.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -127.57 132.19 49.88 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.785 1.634 . . . . 0.0 113.143 177.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.5 mtp -135.71 149.65 49.3 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.956 1.302 . . . . 0.0 112.424 169.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.452 HD13 HD13 ' A' ' 37' ' ' LEU . 3.4 mt -126.62 155.92 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 C-N-CA 125.838 1.655 . . . . 0.0 108.813 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.414 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 22.7 tt0 -109.44 134.52 51.76 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.834 0.743 . . . . 0.0 111.158 178.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.4 t -64.95 131.25 46.14 Favored 'General case' 0 CA--C 1.518 -0.25 0 C-N-CA 123.835 0.854 . . . . 0.0 110.337 172.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -72.05 -19.35 61.85 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -89.68 -51.88 5.29 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -173.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.1 p -114.91 4.27 14.77 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 116.104 1.89 . . . . 0.0 116.104 -178.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.52 5.16 5.02 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 178.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.418 ' SG ' ' NE2' ' A' ' 30' ' ' GLN . 27.5 p -76.38 150.26 36.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 120.311 -1.493 . . . . 0.0 112.207 -175.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.414 ' CE2' ' HB2' ' A' ' 22' ' ' GLN . 66.7 m95 -103.19 144.39 31.39 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.244 1.418 . . . . 0.0 113.628 -175.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.418 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 26.9 mp0 -142.96 159.33 42.44 Favored 'General case' 0 CA--C 1.493 -1.227 0 O-C-N 121.526 -0.734 . . . . 0.0 109.942 -177.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -71.78 119.06 15.41 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 106.587 -1.635 . . . . 0.0 106.587 169.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.71 -36.09 77.26 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 118.946 -1.597 . . . . 0.0 114.581 -176.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.88 -18.16 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 123.204 0.602 . . . . 0.0 112.267 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.0 m -79.93 -29.21 39.69 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.723 1.609 . . . . 0.0 112.98 170.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.5 mmt -96.98 -7.41 33.13 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.485 2.314 . . . . 0.0 113.241 -175.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.47 24.18 47.89 Favored Glycine 0 C--N 1.343 0.93 0 C-N-CA 126.017 1.77 . . . . 0.0 114.945 -177.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.452 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -129.92 150.42 51.21 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.389 1.076 . . . . 0.0 109.698 -178.207 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.0 mt -128.67 168.09 16.29 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 129.618 3.167 . . . . 0.0 107.231 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.24 -26.18 50.45 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 170.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -68.8 -38.97 80.31 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 171.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -95.85 -0.19 51.38 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -171.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.45 HG21 HG21 ' C' ' 3' ' ' THR . 98.5 t -54.52 112.43 3.95 Favored Pre-proline 0 N--CA 1.482 1.152 0 CA-C-N 120.384 1.447 . . . . 0.0 110.366 -169.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -76.0 167.59 25.8 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 122.457 2.104 . . . . 0.0 110.871 176.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.93 -36.84 72.8 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.275 -0.89 . . . . 0.0 108.749 174.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -128.26 81.2 2.01 Favored 'General case' 0 C--N 1.343 0.297 0 C-N-CA 124.87 1.268 . . . . 0.0 113.485 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.86 125.31 31.86 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 167.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.6 p -95.19 140.12 30.55 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 125.811 1.644 . . . . 0.0 110.118 169.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.5 p -94.09 147.5 23.08 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-O 117.729 -1.129 . . . . 0.0 110.282 -177.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -37.64 -38.19 0.26 Allowed 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 117.187 2.292 . . . . 0.0 117.187 169.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.6 t -61.54 -29.43 46.06 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 O-C-N 120.175 -1.578 . . . . 0.0 111.891 173.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 68.6 m -97.53 -61.6 1.37 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.181 2.192 . . . . 0.0 113.319 169.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -73.72 -36.85 65.25 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -177.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.5 t0 . . . . . 0 N--CA 1.488 1.451 0 C-N-CA 126.813 2.045 . . . . 0.0 113.894 -171.997 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.348 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . 0.271 7.4 ttt180 45.24 -70.55 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.125 0 C-N-CA 131.595 3.958 . . . . 0.0 118.843 -175.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 3' ' ' THR . . . . . 0.452 HG23 HG23 ' A' ' 21' ' ' ILE 0.305 2.8 p 58.65 149.36 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 119.274 3.064 . . . . 0.0 119.274 -175.688 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.426 0 C-N-CA 125.702 1.601 . . . . 0.0 110.67 -176.267 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -139.49 150.2 44.86 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.256 1.422 . . . . 0.0 110.753 171.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 57.8 p -74.14 -16.74 60.99 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 174.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -148.23 155.43 41.35 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.998 1.719 . . . . 0.0 111.381 173.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -77.15 157.81 30.76 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.593 1.157 . . . . 0.0 111.963 175.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.03 154.21 41.74 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.282 1.033 . . . . 0.0 112.074 173.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 80.1 p -78.27 -13.04 60.02 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.775 1.23 . . . . 0.0 114.097 174.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 39.6 p -64.59 132.68 50.48 Favored 'General case' 0 C--O 1.254 1.32 0 C-N-CA 126.211 1.804 . . . . 0.0 113.67 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.252 -3.638 0 CA-C-N 117.965 0.348 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.043 0 N-CA-C 112.202 -0.359 . . . . 0.0 112.202 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -68.02 -20.16 64.97 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -172.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.9 -33.14 75.32 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -178.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 53.2 11.83 0.27 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 116.262 1.949 . . . . 0.0 116.262 -169.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.28 0.0 OUTLIER 55.28 13.64 0.91 Allowed 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 127.861 2.464 . . . . 0.0 115.316 178.848 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -86.64 153.86 21.45 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.594 1.958 . . . . 0.0 112.615 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -83.57 114.6 21.64 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.459 0.704 . . . . 0.0 110.598 169.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -121.97 157.7 30.71 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.334 1.853 . . . . 0.0 112.461 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -67.4 102.44 1.11 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.244 1.418 . . . . 0.0 107.536 172.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.8 t -133.13 108.7 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.916 1.286 . . . . 0.0 110.649 -168.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.427 HG13 ' HE2' ' A' ' 20' ' ' MET . 99.1 t -74.51 101.53 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 O-C-N 120.904 -1.123 . . . . 0.0 109.011 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -129.02 89.93 2.95 Favored 'General case' 0 CA--C 1.51 -0.59 0 C-N-CA 125.427 1.491 . . . . 0.0 109.047 178.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.7 t -91.54 160.24 15.51 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 124.393 1.058 . . . . 0.0 111.77 170.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.462 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -54.34 -16.78 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 C-N-CA 125.2 1.4 . . . . 0.0 113.443 168.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.462 ' N ' HD12 ' A' ' 10' ' ' ILE . 10.4 m -70.32 -16.81 63.04 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 125.98 1.712 . . . . 0.0 110.591 176.176 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . 0.258 79.4 mm-40 49.07 40.37 17.15 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 128.981 2.912 . . . . 0.0 113.083 -173.282 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.5 p -125.79 141.47 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 C-N-CA 128.545 2.738 . . . . 0.0 108.457 176.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -89.07 7.73 33.48 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 124.003 0.921 . . . . 0.0 112.734 170.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.87 148.71 33.8 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.912 2.085 . . . . 0.0 110.674 179.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.5 118.57 36.96 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-O 124.89 2.281 . . . . 0.0 113.278 173.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -74.75 174.02 9.72 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 109.954 -3.293 . . . . 0.0 108.139 167.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -69.19 -10.99 60.39 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 120.653 -1.279 . . . . 0.0 114.352 174.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -134.73 132.23 38.55 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.72 1.208 . . . . 0.0 112.93 169.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.427 ' HE2' HG13 ' A' ' 7' ' ' VAL . 27.6 mtp -136.88 151.8 49.5 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.106 1.362 . . . . 0.0 112.401 169.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.475 HD13 HD13 ' A' ' 37' ' ' LEU . 3.4 mt -129.99 157.79 42.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 125.9 1.68 . . . . 0.0 108.874 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -110.14 135.7 50.52 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.105 0.962 . . . . 0.0 111.21 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.7 t -65.64 132.07 47.92 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 124.509 1.123 . . . . 0.0 110.662 171.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -72.8 -18.23 61.5 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -91.05 -52.12 5.0 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -174.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.6 p -114.58 4.67 15.22 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 116.099 1.889 . . . . 0.0 116.099 -178.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.4 5.42 5.14 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 116.817 2.154 . . . . 0.0 116.817 178.221 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.418 ' SG ' ' NE2' ' A' ' 30' ' ' GLN . 27.4 p -76.17 150.19 37.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 119.943 -1.723 . . . . 0.0 112.005 -175.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.414 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 65.4 m95 -102.63 144.87 30.48 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 125.542 1.537 . . . . 0.0 114.065 -176.477 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.418 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.1 mp0 -143.85 160.06 41.45 Favored 'General case' 0 CA--C 1.496 -1.13 0 O-C-N 121.479 -0.763 . . . . 0.0 110.722 -176.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -71.92 118.07 14.32 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 169.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.18 -35.35 77.21 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 118.613 -1.756 . . . . 0.0 114.172 -176.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.9 -18.1 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.19 0.596 . . . . 0.0 112.198 -177.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 89.8 m -80.66 -30.19 36.57 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.654 1.581 . . . . 0.0 112.686 170.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.4 mmt -94.57 -7.71 40.28 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 127.258 2.223 . . . . 0.0 113.117 -176.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.0 27.51 45.18 Favored Glycine 0 C--N 1.344 0.994 0 C-N-CA 125.894 1.711 . . . . 0.0 114.249 -176.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.475 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -129.87 151.35 50.53 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 122.388 1.09 . . . . 0.0 110.594 178.157 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.48 166.63 20.12 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 129.251 3.02 . . . . 0.0 107.757 178.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.72 -24.86 52.49 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 170.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -67.27 -37.93 84.26 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 170.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -100.75 1.45 40.34 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -170.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.632 HG21 HG21 ' C' ' 3' ' ' THR . 69.4 t -54.33 112.79 4.27 Favored Pre-proline 0 N--CA 1.487 1.418 0 CA-C-N 120.879 1.672 . . . . 0.0 110.33 -169.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -77.64 168.16 22.96 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 122.418 2.079 . . . . 0.0 111.457 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.74 -32.11 63.68 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.297 -0.877 . . . . 0.0 109.586 174.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -131.06 81.07 1.97 Allowed 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 114.247 1.202 . . . . 0.0 114.247 175.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.406 ' CD1' HD11 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -84.11 124.79 31.5 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 167.499 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 p -95.56 139.75 31.38 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 125.814 1.646 . . . . 0.0 110.304 169.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.4 p -93.9 147.11 23.39 Favored 'General case' 0 C--O 1.209 -1.067 0 CA-C-O 117.698 -1.144 . . . . 0.0 110.478 -177.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -36.98 -38.91 0.2 Allowed 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 117.182 2.29 . . . . 0.0 117.182 169.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.6 t -61.22 -29.74 46.45 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 O-C-N 120.198 -1.564 . . . . 0.0 111.939 173.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 68.5 m -97.22 -61.95 1.33 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 127.482 2.313 . . . . 0.0 113.223 169.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -73.81 -36.08 64.94 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 -177.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.6 t0 . . . . . 0 N--CA 1.489 1.492 0 C-N-CA 126.514 1.926 . . . . 0.0 114.18 -172.966 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.684 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -59.23 150.88 24.44 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-N 120.432 1.469 . . . . 0.0 110.605 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 3' ' ' THR . . . . . 0.632 HG21 HG21 ' A' ' 42' ' ' VAL . 1.3 p -145.33 154.3 42.18 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.395 0 C-N-CA 125.546 1.538 . . . . 0.0 110.462 -174.721 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -137.91 142.19 40.62 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.983 1.313 . . . . 0.0 111.041 175.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 74.9 m -85.76 -45.72 11.36 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -171.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.45 174.08 9.22 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.009 0.924 . . . . 0.0 112.017 171.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 40.6 mtm-85 66.37 -46.91 0.43 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 128.849 2.86 . . . . 0.0 115.245 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt 52.78 36.25 20.82 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 127.211 2.204 . . . . 0.0 114.486 171.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 23.3 t -152.95 150.29 29.09 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.384 1.474 . . . . 0.0 111.969 -178.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 35.9 p -70.59 130.24 41.29 Favored 'General case' 0 C--O 1.256 1.433 0 C-N-CA 125.73 1.612 . . . . 0.0 113.652 -178.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.254 -3.58 0 CA-C-N 118.126 0.421 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.887 0 N-CA-C 112.339 -0.304 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -78.63 60.43 2.71 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.472 1.509 . . . . 0.0 113.118 -175.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 22.9 ptt? -66.62 -34.3 77.57 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -176.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 50.78 11.02 0.08 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.85 2.46 . . . . 0.0 117.157 -169.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.279 0.0 OUTLIER 56.23 9.74 0.54 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 128.062 2.545 . . . . 0.0 115.397 175.243 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -87.13 153.8 21.23 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.865 2.066 . . . . 0.0 113.014 179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -88.9 119.82 29.76 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.851 0.86 . . . . 0.0 109.287 168.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -120.15 155.92 32.11 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.177 1.791 . . . . 0.0 112.504 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.96 103.03 1.72 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.68 1.592 . . . . 0.0 107.399 173.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.8 t -133.69 109.04 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.617 1.167 . . . . 0.0 111.106 -169.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.9 t -74.55 100.97 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-O 122.231 1.015 . . . . 0.0 108.899 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -128.16 89.7 2.96 Favored 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 125.135 1.374 . . . . 0.0 109.011 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.4 t -92.39 159.94 15.33 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 124.618 1.199 . . . . 0.0 111.731 170.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.462 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -54.7 -16.38 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 C-N-CA 125.19 1.396 . . . . 0.0 113.679 168.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.462 ' N ' HD12 ' A' ' 10' ' ' ILE . 9.5 m -71.06 -15.46 62.54 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.044 1.737 . . . . 0.0 111.013 176.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 50.66 37.88 17.63 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.553 2.341 . . . . 0.0 112.929 -172.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.61 138.79 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 127.357 2.263 . . . . 0.0 108.82 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -86.63 7.48 26.25 Favored 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 123.482 0.713 . . . . 0.0 112.422 169.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -58.08 148.79 25.29 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.557 1.543 . . . . 0.0 111.646 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -108.24 118.71 37.47 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-O 125.441 2.543 . . . . 0.0 111.632 171.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -74.6 178.56 5.27 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 109.45 -3.523 . . . . 0.0 108.785 167.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.82 -37.04 73.1 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.748 1.619 . . . . 0.0 113.681 170.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -124.08 132.46 53.67 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.196 1.798 . . . . 0.0 113.612 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.1 mtp -136.04 149.04 48.63 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.078 1.351 . . . . 0.0 112.379 169.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.454 HD13 HD13 ' A' ' 37' ' ' LEU . 3.4 mt -125.63 156.35 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 C-N-CA 125.879 1.671 . . . . 0.0 108.736 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.408 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 22.2 tt0 -109.64 134.73 51.61 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.921 0.782 . . . . 0.0 111.176 177.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.6 t -65.12 130.59 43.92 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 124.152 0.981 . . . . 0.0 110.112 171.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -72.41 -18.33 61.73 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -90.07 -52.0 5.18 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -174.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.4 p -114.97 4.93 14.89 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 116.186 1.921 . . . . 0.0 116.186 -178.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.39 4.23 4.53 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 116.555 2.058 . . . . 0.0 116.555 178.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.424 ' SG ' ' NE2' ' A' ' 30' ' ' GLN . 27.3 p -75.53 149.85 38.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 119.778 -1.826 . . . . 0.0 112.13 -174.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.408 ' CE2' ' HB2' ' A' ' 22' ' ' GLN . 67.5 m95 -102.84 144.8 30.7 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 124.964 1.306 . . . . 0.0 113.714 -176.514 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.424 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.0 mp0 -143.07 159.54 42.08 Favored 'General case' 0 CA--C 1.495 -1.144 0 O-C-N 121.735 -0.603 . . . . 0.0 110.002 -177.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -71.78 119.47 15.99 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 169.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.09 -36.57 82.37 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 118.891 -1.623 . . . . 0.0 114.732 -176.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.15 -18.82 24.7 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 C-N-CA 123.245 0.618 . . . . 0.0 112.159 -177.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.1 m -79.71 -29.98 40.86 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.782 1.633 . . . . 0.0 112.762 171.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.3 mmt -95.23 -7.67 38.33 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.543 2.337 . . . . 0.0 113.047 -176.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.95 26.58 48.72 Favored Glycine 0 C--N 1.341 0.849 0 C-N-CA 125.89 1.71 . . . . 0.0 114.33 -176.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.454 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -129.68 150.58 50.94 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 122.369 1.08 . . . . 0.0 110.17 178.906 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.39 166.57 20.18 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 129.002 2.921 . . . . 0.0 107.875 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.74 -24.24 48.45 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 170.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -68.25 -38.06 81.41 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 169.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -100.71 1.32 40.34 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 -170.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.509 HG21 HG21 ' C' ' 3' ' ' THR . 83.3 t -54.38 112.82 4.31 Favored Pre-proline 0 N--CA 1.486 1.344 0 CA-C-N 120.632 1.56 . . . . 0.0 110.337 -169.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -76.25 167.75 25.24 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 122.392 2.061 . . . . 0.0 110.81 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.24 -36.22 71.73 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.334 -0.854 . . . . 0.0 108.84 174.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -128.55 81.87 2.05 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 125.14 1.376 . . . . 0.0 113.593 178.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.86 126.12 32.65 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 167.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.25 137.92 33.66 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 126.13 1.772 . . . . 0.0 111.166 169.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.5 p -93.6 148.78 21.78 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.029 -176.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.412 ' HA ' ' H ' ' A' ' 53' ' ' ASP . 6.8 p90 -40.61 -37.76 0.77 Allowed 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 117.8 2.518 . . . . 0.0 117.8 170.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.21 -29.92 46.8 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 O-C-N 120.419 -1.425 . . . . 0.0 111.736 173.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 80.5 m -94.93 -63.37 1.18 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.872 2.069 . . . . 0.0 112.454 169.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -82.05 -30.72 31.25 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 117.204 2.298 . . . . 0.0 117.204 -175.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.412 ' H ' ' HA ' ' A' ' 49' ' ' TYR . 29.7 t0 . . . . . 0 C--O 1.258 1.501 0 C-N-CA 126.824 2.05 . . . . 0.0 110.917 -168.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.444 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . 0.251 18.0 ttm-85 46.81 -70.22 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.054 0 C-N-CA 131.422 3.889 . . . . 0.0 118.698 -175.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 3' ' ' THR . . . . . 0.509 HG21 HG21 ' A' ' 42' ' ' VAL 0.3 2.5 p 57.59 150.43 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 119.39 3.108 . . . . 0.0 119.39 -174.42 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.345 0 C-N-CA 125.785 1.634 . . . . 0.0 110.28 -177.627 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -142.83 147.74 35.94 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.359 1.464 . . . . 0.0 110.872 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 73.8 p -79.63 43.82 0.59 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.126 1.37 . . . . 0.0 112.941 174.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . 57.46 -175.39 0.07 Allowed 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 127.109 2.164 . . . . 0.0 114.286 -170.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -133.26 154.82 50.33 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.149 1.78 . . . . 0.0 111.73 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -66.76 160.65 25.37 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.649 1.179 . . . . 0.0 113.48 177.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 89.8 p -151.52 161.2 43.1 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.589 1.556 . . . . 0.0 112.221 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 83.7 m -77.26 123.06 25.95 Favored 'General case' 0 C--O 1.255 1.357 0 C-N-CA 124.886 1.275 . . . . 0.0 111.644 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.254 -3.583 0 CA-C-N 118.656 0.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.901 0 N-CA-C 111.888 -0.485 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -78.0 -19.91 53.55 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -174.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -33.99 77.31 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 -171.059 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 51.39 10.89 0.1 Allowed 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 116.486 2.032 . . . . 0.0 116.486 -169.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.275 0.0 OUTLIER 55.16 15.9 1.42 Allowed 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 128.371 2.668 . . . . 0.0 114.762 -178.503 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -129.59 147.4 51.39 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.796 2.038 . . . . 0.0 112.892 -171.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -92.03 114.04 26.47 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.658 0.783 . . . . 0.0 110.223 169.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -124.13 159.68 29.49 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.22 1.808 . . . . 0.0 112.343 178.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -68.8 102.62 1.58 Allowed 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 174.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.1 t -133.81 108.59 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.546 1.139 . . . . 0.0 110.787 -169.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.404 HG13 ' HE2' ' A' ' 20' ' ' MET . 92.2 t -74.35 102.17 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 120.843 -1.161 . . . . 0.0 108.563 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -129.57 89.56 2.85 Favored 'General case' 0 CA--C 1.511 -0.526 0 C-N-CA 125.045 1.338 . . . . 0.0 108.673 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.8 t -91.61 159.38 15.92 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 124.732 1.27 . . . . 0.0 111.828 170.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.465 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -53.74 -16.93 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 C-N-CA 125.357 1.463 . . . . 0.0 113.705 169.107 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.465 ' N ' HD12 ' A' ' 10' ' ' ILE . 12.6 m -69.79 -16.92 63.37 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 125.787 1.635 . . . . 0.0 110.817 175.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 49.02 40.49 17.22 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 128.99 2.916 . . . . 0.0 112.747 -173.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.6 p -125.94 141.16 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 C-N-CA 128.516 2.726 . . . . 0.0 108.53 176.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -88.26 7.54 31.61 Favored 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 123.661 0.784 . . . . 0.0 112.745 169.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -57.66 147.61 26.98 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.728 1.611 . . . . 0.0 111.094 178.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -108.8 117.85 35.27 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-O 125.246 2.45 . . . . 0.0 111.61 172.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -74.74 176.44 7.01 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 109.352 -3.567 . . . . 0.0 108.799 167.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -58.64 -35.43 72.5 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.756 1.222 . . . . 0.0 113.579 171.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -122.38 132.42 54.37 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.912 1.685 . . . . 0.0 113.767 177.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.404 ' HE2' HG13 ' A' ' 7' ' ' VAL . 26.8 mtp -136.3 149.63 48.52 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.142 1.377 . . . . 0.0 112.5 169.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.456 HD13 HD13 ' A' ' 37' ' ' LEU . 3.4 mt -126.47 155.73 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 C-N-CA 125.81 1.644 . . . . 0.0 108.722 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.433 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 22.1 tt0 -108.7 134.4 51.48 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.811 0.732 . . . . 0.0 111.12 177.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.7 t -65.03 131.09 45.66 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 123.942 0.897 . . . . 0.0 110.038 172.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -72.7 -18.13 61.56 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 178.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -90.21 -51.93 5.2 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -174.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 16.4 p -115.07 4.65 14.72 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 -178.167 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.57 4.92 4.92 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 116.429 2.011 . . . . 0.0 116.429 178.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 27.4 p -75.88 150.37 37.61 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 120.028 -1.67 . . . . 0.0 112.287 -175.014 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.433 ' CE2' ' HB2' ' A' ' 22' ' ' GLN . 67.1 m95 -102.67 144.36 31.15 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 125.022 1.329 . . . . 0.0 113.821 -176.465 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.424 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.1 mp0 -142.43 159.9 41.33 Favored 'General case' 0 CA--C 1.491 -1.32 0 O-C-N 121.493 -0.755 . . . . 0.0 110.439 -178.16 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -72.26 118.53 15.26 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 106.56 -1.645 . . . . 0.0 106.56 169.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.61 -36.81 80.01 Favored Glycine 0 N--CA 1.46 0.236 0 C-N-CA 118.836 -1.649 . . . . 0.0 114.554 -176.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.71 -18.83 24.78 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 C-N-CA 123.337 0.655 . . . . 0.0 112.351 -177.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.5 m -79.91 -30.8 40.15 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.68 1.592 . . . . 0.0 112.959 170.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.5 mmt -93.49 -7.91 42.99 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.358 2.263 . . . . 0.0 113.204 -176.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.54 26.38 46.99 Favored Glycine 0 C--N 1.342 0.884 0 C-N-CA 125.876 1.703 . . . . 0.0 114.336 -176.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.456 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -130.13 150.4 51.41 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.188 0.995 . . . . 0.0 110.276 179.339 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.02 167.88 17.58 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 129.053 2.941 . . . . 0.0 107.658 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.16 -24.85 57.19 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 170.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.73 -38.28 83.33 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 170.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -100.2 1.49 41.99 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 115.528 1.677 . . . . 0.0 115.528 -171.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.473 HG21 HG21 ' C' ' 3' ' ' THR . 92.3 t -54.51 112.75 4.28 Favored Pre-proline 0 N--CA 1.485 1.298 0 CA-C-N 120.601 1.546 . . . . 0.0 110.142 -169.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -75.6 168.03 25.24 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 122.352 2.035 . . . . 0.0 110.961 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -70.72 -37.12 73.5 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 173.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -128.55 82.44 2.09 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 125.224 1.41 . . . . 0.0 113.604 178.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.97 125.75 32.35 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 114.664 -1.153 . . . . 0.0 108.074 167.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.14 137.6 33.98 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 126.089 1.756 . . . . 0.0 111.209 170.108 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.5 p -93.7 148.74 21.83 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-O 118.393 -0.813 . . . . 0.0 110.131 -176.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.411 ' HA ' ' H ' ' A' ' 53' ' ' ASP . 6.3 p90 -40.61 -37.47 0.73 Allowed 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 117.729 2.492 . . . . 0.0 117.729 170.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.6 t -61.62 -30.61 48.62 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 CA-C-N 120.266 1.394 . . . . 0.0 111.608 173.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.4 m -93.91 -62.89 1.27 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.402 1.881 . . . . 0.0 112.523 169.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -82.24 -30.86 30.49 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 117.102 2.26 . . . . 0.0 117.102 -175.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.411 ' H ' ' HA ' ' A' ' 49' ' ' TYR . 31.5 t0 . . . . . 0 C--O 1.256 1.406 0 C-N-CA 126.58 1.952 . . . . 0.0 110.943 -168.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.359 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . 0.265 1.6 ttt85 43.73 -70.27 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 131.417 3.887 . . . . 0.0 118.729 -174.024 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 3' ' ' THR . . . . . 0.473 HG21 HG21 ' A' ' 42' ' ' VAL 0.306 2.6 p 58.54 151.15 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 119.381 3.104 . . . . 0.0 119.381 -174.599 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.406 0 C-N-CA 125.829 1.652 . . . . 0.0 110.133 -177.539 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -141.66 149.55 40.76 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.037 1.335 . . . . 0.0 111.785 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -151.97 147.4 26.5 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.163 0.985 . . . . 0.0 112.334 170.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.38 -15.59 25.52 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.299 1.04 . . . . 0.0 113.56 170.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -139.05 -13.43 1.2 Allowed 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 116.218 1.932 . . . . 0.0 116.218 -169.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt 53.85 39.5 30.45 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.324 1.45 . . . . 0.0 112.13 -169.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 56.7 p -73.33 159.48 33.29 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.131 1.372 . . . . 0.0 113.115 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 22.7 m 56.97 -99.49 0.1 Allowed 'General case' 0 C--O 1.254 1.313 0 C-N-CA 127.328 2.251 . . . . 0.0 113.352 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.254 -3.551 0 CA-C-N 121.151 1.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.987 0 N-CA-C 111.969 -0.453 . . . . 0.0 111.969 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -60.96 -17.9 54.19 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 -169.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -33.87 76.7 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 175.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 50.54 14.37 0.16 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -169.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.75 9.28 1.11 Allowed 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 128.876 2.87 . . . . 0.0 114.5 -168.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -87.43 156.73 19.44 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.365 1.866 . . . . 0.0 113.607 -175.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -92.24 116.27 28.81 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.158 0.983 . . . . 0.0 109.885 169.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -119.15 104.4 10.4 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 122.668 1.223 . . . . 0.0 112.913 -177.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -67.76 103.7 1.48 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 128.05 2.54 . . . . 0.0 108.606 169.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.6 t -130.65 106.82 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.712 1.205 . . . . 0.0 110.944 -169.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.415 HG13 ' HE2' ' A' ' 20' ' ' MET . 98.6 t -74.9 101.47 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 O-C-N 120.866 -1.146 . . . . 0.0 109.128 -178.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -129.34 89.66 2.88 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 125.485 1.514 . . . . 0.0 109.109 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 39.8 t -91.33 159.91 15.76 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 124.529 1.143 . . . . 0.0 111.972 170.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.459 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -54.37 -16.72 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 125.159 1.384 . . . . 0.0 113.651 168.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.459 ' N ' HD12 ' A' ' 10' ' ' ILE . 9.8 m -71.08 -15.49 62.53 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 126.145 1.778 . . . . 0.0 111.014 176.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 51.19 37.62 18.87 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 127.592 2.357 . . . . 0.0 113.252 -172.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.46 138.77 53.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 127.123 2.169 . . . . 0.0 108.935 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -86.51 7.71 24.93 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 123.751 0.821 . . . . 0.0 112.649 169.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.28 148.99 34.77 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 126.827 2.051 . . . . 0.0 110.661 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.5 118.85 37.71 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-O 125.141 2.401 . . . . 0.0 113.176 172.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -74.47 175.36 7.83 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 110.041 -3.254 . . . . 0.0 109.122 167.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -64.19 -13.67 50.23 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.015 1.116 . . . . 0.0 114.015 172.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -140.13 133.97 30.6 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.322 1.449 . . . . 0.0 112.99 173.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.415 ' HE2' HG13 ' A' ' 7' ' ' VAL . 27.3 mtp -137.09 151.96 49.47 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.024 1.329 . . . . 0.0 112.628 169.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.463 HD13 HD13 ' A' ' 37' ' ' LEU . 3.4 mt -130.33 157.01 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 125.813 1.645 . . . . 0.0 109.189 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -109.07 135.63 49.9 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.048 0.939 . . . . 0.0 111.603 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.9 t -65.08 131.58 46.93 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 124.18 0.992 . . . . 0.0 110.498 170.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -70.29 -20.15 63.05 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 178.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -91.09 -52.22 4.94 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -172.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.479 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 17.4 p -113.72 4.73 16.13 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 -178.465 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 69.83 3.46 4.3 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 179.169 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.479 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 26.6 p -74.63 149.87 39.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 119.987 -1.696 . . . . 0.0 111.751 -173.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.421 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 65.4 m95 -102.91 144.15 31.58 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 125.339 1.456 . . . . 0.0 113.837 -176.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.416 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.1 mp0 -143.16 160.68 39.98 Favored 'General case' 0 CA--C 1.497 -1.083 0 O-C-N 121.253 -0.904 . . . . 0.0 110.495 -176.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -72.15 118.43 15.02 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 168.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.58 -35.69 74.4 Favored Glycine 0 N--CA 1.46 0.27 0 C-N-CA 118.491 -1.814 . . . . 0.0 114.39 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.71 -18.53 23.9 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 123.493 0.717 . . . . 0.0 112.167 -177.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.9 m -80.21 -29.59 38.59 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.992 1.717 . . . . 0.0 112.75 170.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.2 mmt -95.65 -7.83 36.45 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 127.428 2.291 . . . . 0.0 113.103 -176.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.95 27.11 46.91 Favored Glycine 0 C--N 1.342 0.909 0 C-N-CA 125.959 1.742 . . . . 0.0 114.4 -176.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.463 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -129.83 151.37 50.47 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 122.419 1.104 . . . . 0.0 110.457 178.395 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.46 167.06 19.23 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 129.192 2.997 . . . . 0.0 107.968 178.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.68 -25.42 53.95 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 170.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -67.15 -38.07 84.88 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 171.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -100.57 1.21 40.64 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 -170.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.636 HG21 HG21 ' C' ' 3' ' ' THR . 72.5 t -54.16 112.96 4.39 Favored Pre-proline 0 N--CA 1.488 1.451 0 CA-C-N 121.041 1.746 . . . . 0.0 110.176 -169.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -77.95 168.27 22.37 Favored 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 122.306 2.004 . . . . 0.0 111.322 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -73.61 -31.48 63.57 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.407 -0.808 . . . . 0.0 109.676 175.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -132.92 81.89 1.97 Allowed 'General case' 0 C--N 1.34 0.169 0 C-N-CA 124.953 1.301 . . . . 0.0 113.847 175.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.95 124.25 30.82 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 167.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.46 137.7 33.28 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 126.302 1.841 . . . . 0.0 111.046 169.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 p -93.83 148.69 21.9 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-O 118.301 -0.857 . . . . 0.0 109.986 -176.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -40.06 -38.3 0.71 Allowed 'General case' 0 CA--C 1.555 1.144 0 N-CA-C 117.65 2.463 . . . . 0.0 117.65 170.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.6 t -61.11 -30.28 47.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 O-C-N 120.448 -1.408 . . . . 0.0 111.942 173.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 85.9 m -94.51 -62.4 1.33 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.37 1.868 . . . . 0.0 112.594 169.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -82.29 -30.82 30.35 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 117.375 2.361 . . . . 0.0 117.375 -175.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.7 t0 . . . . . 0 C--O 1.257 1.472 0 C-N-CA 126.524 1.93 . . . . 0.0 110.997 -168.268 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.873 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -58.31 151.86 18.71 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 120.283 1.401 . . . . 0.0 110.912 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 3' ' ' THR . . . . . 0.636 HG21 HG21 ' A' ' 42' ' ' VAL . 1.5 p -145.39 154.07 41.89 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.348 0 C-N-CA 125.72 1.608 . . . . 0.0 110.037 -174.681 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -121.58 12.39 10.73 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.192 0.997 . . . . 0.0 112.612 170.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 23.7 m 58.7 66.79 1.01 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 126.079 1.752 . . . . 0.0 112.673 -175.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . 57.53 41.13 26.36 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 169.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -68.86 151.18 46.92 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 121.382 -0.824 . . . . 0.0 111.677 169.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -69.35 150.36 47.41 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.749 1.22 . . . . 0.0 112.29 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 24.4 m -71.06 -24.48 62.34 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 178.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 94.0 m -137.27 -56.98 0.71 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.728 2.011 . . . . 0.0 110.734 177.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.253 -3.61 0 CA-C-N 118.904 0.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.861 0 N-CA-C 112.048 -0.421 . . . . 0.0 112.048 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -84.15 -54.27 4.94 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 22.5 ptp -84.51 -35.5 22.85 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -177.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 48.88 12.26 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 -169.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.29 0.0 OUTLIER 56.53 10.79 0.74 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 128.277 2.631 . . . . 0.0 115.308 179.136 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -86.4 154.41 21.19 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.439 2.296 . . . . 0.0 112.104 170.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -82.83 113.36 20.41 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 121.363 0.601 . . . . 0.0 109.774 169.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -133.96 161.77 33.88 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 126.677 1.991 . . . . 0.0 111.714 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -69.35 102.78 1.82 Allowed 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 176.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.9 t -135.07 108.27 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.917 1.287 . . . . 0.0 110.974 -169.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.415 HG13 ' HE2' ' A' ' 20' ' ' MET . 91.6 t -74.75 101.24 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 O-C-N 121.101 -1.0 . . . . 0.0 108.6 -179.132 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -128.64 89.73 2.94 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 125.416 1.486 . . . . 0.0 109.09 178.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.4 t -91.08 160.22 15.7 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 124.597 1.186 . . . . 0.0 111.73 170.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.473 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.4 pp -54.26 -16.84 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 124.999 1.32 . . . . 0.0 113.596 168.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.473 ' N ' HD12 ' A' ' 10' ' ' ILE . 10.9 m -69.79 -16.74 63.34 Favored 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 125.953 1.701 . . . . 0.0 110.834 175.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . 0.263 80.0 mm-40 49.13 40.22 17.06 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 129.068 2.947 . . . . 0.0 112.963 -173.041 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.01 140.97 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 C-N-CA 128.388 2.675 . . . . 0.0 108.828 177.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -89.09 7.99 32.22 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 124.19 0.996 . . . . 0.0 112.909 170.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -60.27 149.16 34.2 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 126.457 1.903 . . . . 0.0 110.926 178.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.29 118.31 36.37 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-O 124.923 2.297 . . . . 0.0 112.682 173.044 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -74.61 177.06 6.34 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 110.102 -3.226 . . . . 0.0 108.644 167.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -57.91 -34.24 69.62 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.834 1.254 . . . . 0.0 113.365 174.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -124.76 135.02 52.62 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.051 1.74 . . . . 0.0 114.0 176.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.415 ' HE2' HG13 ' A' ' 7' ' ' VAL . 27.1 mtp -136.98 152.45 50.16 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.335 1.454 . . . . 0.0 112.933 169.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.466 HD13 HD13 ' A' ' 37' ' ' LEU . 3.6 mt -130.56 157.61 42.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 125.66 1.584 . . . . 0.0 109.242 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.414 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 22.5 tt0 -109.44 135.47 50.42 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.869 0.868 . . . . 0.0 111.318 178.164 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 46.4 t -65.51 131.87 47.49 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 124.104 0.961 . . . . 0.0 110.587 171.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -71.86 -18.46 62.06 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -91.53 -52.23 4.88 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -173.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.5 p -114.49 4.24 15.18 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.75 5.38 5.19 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 178.239 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.412 ' SG ' ' NE2' ' A' ' 30' ' ' GLN . 27.6 p -75.97 150.59 37.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 119.895 -1.753 . . . . 0.0 112.403 -175.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.414 ' CE2' ' HB2' ' A' ' 22' ' ' GLN . 66.2 m95 -102.84 144.07 31.64 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.545 1.538 . . . . 0.0 113.789 -176.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.412 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.2 mp0 -143.0 160.43 40.36 Favored 'General case' 0 CA--C 1.498 -1.026 0 O-C-N 121.254 -0.904 . . . . 0.0 110.723 -177.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -72.23 117.77 14.28 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 169.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.59 -35.85 75.28 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 118.712 -1.708 . . . . 0.0 114.065 -176.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.0 p -67.96 -18.43 23.6 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 O-C-N 122.12 -0.635 . . . . 0.0 112.199 -177.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 88.9 m -80.4 -30.58 37.78 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.745 1.618 . . . . 0.0 112.642 170.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.8 mmt -93.92 -7.26 43.54 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 127.236 2.215 . . . . 0.0 113.247 -176.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.3 27.89 46.71 Favored Glycine 0 C--N 1.343 0.947 0 C-N-CA 125.989 1.757 . . . . 0.0 114.357 -176.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.466 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -129.94 151.35 50.59 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.315 1.046 . . . . 0.0 110.502 178.221 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.4 166.91 19.46 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 129.481 3.113 . . . . 0.0 107.937 178.507 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.92 -25.24 57.0 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 171.002 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -66.99 -37.91 85.08 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 171.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -101.16 1.14 38.83 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 -170.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.654 HG21 HG21 ' C' ' 3' ' ' THR . 73.0 t -54.05 113.53 5.18 Favored Pre-proline 0 N--CA 1.487 1.415 0 CA-C-N 120.867 1.667 . . . . 0.0 110.191 -169.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -79.93 165.26 22.12 Favored 'Trans proline' 0 N--CA 1.45 -1.064 0 C-N-CA 122.459 2.106 . . . . 0.0 111.331 178.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.9 mp0 -69.7 -34.89 74.55 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 123.942 0.897 . . . . 0.0 109.467 175.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -130.41 79.82 1.92 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.953 1.301 . . . . 0.0 114.174 175.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.402 ' CD1' HD11 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -84.28 123.95 30.71 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 167.264 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 p -95.16 139.66 31.18 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 125.805 1.642 . . . . 0.0 110.212 169.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 p -93.65 147.36 23.08 Favored 'General case' 0 C--O 1.211 -0.968 0 CA-C-O 117.724 -1.131 . . . . 0.0 110.436 -177.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -37.4 -38.44 0.24 Allowed 'General case' 0 CA--C 1.554 1.106 0 N-CA-C 117.292 2.33 . . . . 0.0 117.292 169.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.43 -29.69 46.52 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 O-C-N 120.042 -1.661 . . . . 0.0 112.142 173.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 71.3 m -96.74 -62.17 1.3 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 127.427 2.291 . . . . 0.0 113.162 169.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -73.87 -36.54 64.84 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 -177.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.0 t0 . . . . . 0 N--CA 1.488 1.473 0 C-N-CA 126.773 2.029 . . . . 0.0 113.984 -172.323 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.849 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -59.76 152.39 23.01 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 120.275 1.398 . . . . 0.0 110.627 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 3' ' ' THR . . . . . 0.654 HG21 HG21 ' A' ' 42' ' ' VAL . 1.5 p -145.58 153.75 41.41 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 179.015 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.381 0 C-N-CA 125.489 1.516 . . . . 0.0 110.92 -174.541 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -141.89 150.45 41.54 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.203 1.401 . . . . 0.0 110.607 174.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 26.9 p -69.33 139.14 54.22 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.437 0.695 . . . . 0.0 111.984 175.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -155.26 163.7 39.79 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.256 1.423 . . . . 0.0 112.125 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 53.98 39.5 30.59 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 126.021 1.728 . . . . 0.0 114.173 173.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -71.64 -18.5 62.2 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -178.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 66.5 p -68.94 156.7 38.1 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.187 1.395 . . . . 0.0 113.197 177.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 33.9 p -69.36 134.44 49.06 Favored 'General case' 0 C--O 1.254 1.333 0 C-N-CA 125.334 1.454 . . . . 0.0 113.414 177.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.253 -3.6 0 CA-C-N 118.083 0.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.038 0 CA-C-O 120.235 -0.203 . . . . 0.0 112.721 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 55.48 38.59 30.47 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 126.029 1.731 . . . . 0.0 113.927 176.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -68.65 -34.66 76.1 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 49.33 10.96 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 117.638 2.459 . . . . 0.0 117.638 -170.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.272 0.0 OUTLIER 54.48 14.36 0.8 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 127.702 2.401 . . . . 0.0 115.3 175.36 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -86.44 158.5 19.58 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.145 1.778 . . . . 0.0 113.374 -174.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -88.44 120.37 29.76 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.878 0.871 . . . . 0.0 109.456 169.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -118.87 103.04 9.24 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 122.092 0.949 . . . . 0.0 112.933 -175.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -69.47 117.14 10.71 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.932 2.093 . . . . 0.0 109.066 169.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.0 t -140.34 107.49 2.5 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.608 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.152 -173.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.403 HG13 ' HE2' ' A' ' 20' ' ' MET . 91.0 t -74.7 99.15 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 120.904 -1.122 . . . . 0.0 108.517 -178.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 -126.45 89.78 3.06 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 125.184 1.394 . . . . 0.0 109.347 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.0 t -91.8 160.15 15.46 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 124.482 1.114 . . . . 0.0 112.002 169.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.458 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -54.83 -16.49 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 C-N-CA 125.201 1.4 . . . . 0.0 113.501 169.072 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.458 ' N ' HD12 ' A' ' 10' ' ' ILE . 10.4 m -70.8 -15.31 62.65 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 126.06 1.744 . . . . 0.0 110.874 176.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 50.26 38.41 17.46 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.739 2.416 . . . . 0.0 113.091 -172.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.49 138.47 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 127.01 2.124 . . . . 0.0 109.041 177.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -86.36 8.06 23.09 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 123.858 0.863 . . . . 0.0 112.658 169.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -61.04 149.43 36.94 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 126.763 2.025 . . . . 0.0 110.569 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.46 118.76 37.47 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 124.841 2.258 . . . . 0.0 112.789 173.076 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -74.6 176.88 6.49 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 110.035 -3.257 . . . . 0.0 108.802 167.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -57.36 -34.25 68.62 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.882 1.273 . . . . 0.0 113.211 173.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -124.87 134.95 52.52 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.933 1.693 . . . . 0.0 113.796 177.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.403 ' HE2' HG13 ' A' ' 7' ' ' VAL . 26.8 mtp -137.28 152.46 49.81 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.414 1.486 . . . . 0.0 112.79 169.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.46 HD13 HD13 ' A' ' 37' ' ' LEU . 3.4 mt -130.74 157.69 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 C-N-CA 125.945 1.698 . . . . 0.0 109.116 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.409 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 24.4 tt0 -109.92 136.02 49.87 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.878 0.871 . . . . 0.0 111.183 178.15 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.7 t -65.63 132.06 47.9 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 124.155 0.982 . . . . 0.0 110.549 171.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -71.74 -18.83 62.11 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -91.74 -52.09 4.92 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -173.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.2 p -114.2 4.97 15.72 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 115.942 1.83 . . . . 0.0 115.942 -177.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 69.38 3.73 4.29 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 117.054 2.242 . . . . 0.0 117.054 178.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.418 ' SG ' ' NE2' ' A' ' 30' ' ' GLN . 26.6 p -74.47 150.1 40.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 120.428 -1.42 . . . . 0.0 112.087 -173.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.412 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 65.8 m95 -102.57 143.65 31.99 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 125.244 1.417 . . . . 0.0 113.588 -176.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.418 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.2 mp0 -143.25 160.36 40.62 Favored 'General case' 0 CA--C 1.496 -1.133 0 O-C-N 120.928 -1.107 . . . . 0.0 110.604 -177.147 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -71.88 118.38 14.66 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 168.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.69 -36.13 77.31 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 118.706 -1.712 . . . . 0.0 114.115 -176.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.53 -18.01 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 122.171 -0.605 . . . . 0.0 112.272 -177.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.8 m -80.59 -29.71 36.91 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.016 1.726 . . . . 0.0 112.697 170.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.2 mmt -95.64 -7.62 37.11 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.128 2.171 . . . . 0.0 113.112 -176.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.0 27.12 46.66 Favored Glycine 0 C--N 1.342 0.915 0 C-N-CA 125.817 1.675 . . . . 0.0 114.394 -176.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.46 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -129.92 150.9 51.01 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 122.407 1.098 . . . . 0.0 110.38 178.77 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.39 166.77 19.75 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 129.255 3.022 . . . . 0.0 107.729 178.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.63 -25.05 52.15 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 170.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -67.42 -38.01 83.92 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 171.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -100.69 1.23 40.31 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 115.597 1.702 . . . . 0.0 115.597 -170.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.638 HG21 HG21 ' C' ' 3' ' ' THR . 70.9 t -53.99 113.46 5.04 Favored Pre-proline 0 N--CA 1.487 1.389 0 CA-C-N 120.829 1.65 . . . . 0.0 110.293 -169.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -79.33 164.96 23.8 Favored 'Trans proline' 0 N--CA 1.45 -1.07 0 C-N-CA 122.585 2.19 . . . . 0.0 111.62 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.1 mp0 -70.11 -33.11 71.44 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.094 0.957 . . . . 0.0 109.463 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -133.0 81.95 1.97 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.964 1.306 . . . . 0.0 114.33 174.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.55 124.65 31.64 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 167.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 p -95.3 139.66 31.3 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 126.032 1.733 . . . . 0.0 110.025 169.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.6 p -93.57 147.34 23.08 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-O 117.644 -1.17 . . . . 0.0 110.374 -177.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -37.1 -38.47 0.2 Allowed 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 117.283 2.327 . . . . 0.0 117.283 169.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.6 t -61.57 -29.82 46.92 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 O-C-N 120.192 -1.567 . . . . 0.0 111.963 173.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 72.1 m -96.8 -62.24 1.29 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 127.396 2.278 . . . . 0.0 113.079 169.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -73.68 -36.46 65.31 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 115.602 1.705 . . . . 0.0 115.602 -177.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.3 t0 . . . . . 0 N--CA 1.489 1.502 0 C-N-CA 126.73 2.012 . . . . 0.0 113.801 -172.898 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.731 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 16.4 ttm-85 -59.56 151.85 23.48 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 120.232 1.378 . . . . 0.0 110.6 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 3' ' ' THR . . . . . 0.638 HG21 HG21 ' A' ' 42' ' ' VAL . 1.5 p -145.59 153.95 41.62 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.329 0 C-N-CA 125.372 1.469 . . . . 0.0 110.667 -174.684 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -140.65 145.0 36.02 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.154 1.382 . . . . 0.0 110.794 176.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 65.6 p -79.54 163.29 24.8 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 121.887 0.851 . . . . 0.0 112.376 176.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.95 -11.3 56.15 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 37.6 ttp85 -66.6 -31.36 72.01 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.513 1.125 . . . . 0.0 112.751 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -66.04 125.88 26.84 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.072 1.349 . . . . 0.0 110.963 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 71.0 p -71.86 156.43 39.3 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.024 1.33 . . . . 0.0 113.084 176.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 84.0 m -76.64 124.27 27.38 Favored 'General case' 0 C--O 1.254 1.297 0 C-N-CA 125.037 1.335 . . . . 0.0 111.446 175.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.254 -3.569 0 CA-C-N 118.703 0.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.901 0 N-CA-C 112.194 -0.363 . . . . 0.0 112.194 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 50.23 -91.37 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 127.216 2.207 . . . . 0.0 114.603 175.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -33.82 76.34 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.859 1.264 . . . . 0.0 114.058 178.165 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 51.28 13.42 0.18 Allowed 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 116.347 1.98 . . . . 0.0 116.347 -169.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.285 0.0 OUTLIER 56.44 11.07 0.76 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 128.184 2.594 . . . . 0.0 115.269 178.716 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -86.36 143.49 27.82 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.612 1.965 . . . . 0.0 112.009 173.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -92.46 114.53 27.1 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.78 0.832 . . . . 0.0 110.631 169.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -133.27 160.69 36.57 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.51 1.924 . . . . 0.0 111.866 -179.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -67.43 102.34 1.1 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.671 1.188 . . . . 0.0 107.839 174.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.9 t -134.3 107.28 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.117 1.367 . . . . 0.0 110.591 -169.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.423 HG13 ' HE2' ' A' ' 20' ' ' MET . 96.8 t -75.08 100.65 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 122.093 0.949 . . . . 0.0 109.055 -178.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -127.68 89.81 3.01 Favored 'General case' 0 CA--C 1.51 -0.595 0 C-N-CA 125.45 1.5 . . . . 0.0 108.998 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 39.2 t -92.25 160.14 15.29 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.698 1.249 . . . . 0.0 112.109 170.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.465 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -54.79 -16.72 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 125.177 1.391 . . . . 0.0 113.479 169.065 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.465 ' N ' HD12 ' A' ' 10' ' ' ILE . 10.3 m -70.94 -15.65 62.61 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 126.086 1.755 . . . . 0.0 110.922 177.043 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 50.57 38.23 18.22 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 127.628 2.371 . . . . 0.0 113.04 -172.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.55 139.0 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 127.066 2.147 . . . . 0.0 108.823 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -87.03 7.81 26.12 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 123.799 0.84 . . . . 0.0 112.665 169.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -60.59 149.16 35.72 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.77 2.028 . . . . 0.0 110.836 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.47 118.62 37.11 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-O 124.822 2.248 . . . . 0.0 113.233 173.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -74.76 174.37 9.25 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 110.03 -3.259 . . . . 0.0 109.754 167.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -58.79 -20.43 49.93 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.6 1.56 . . . . 0.0 114.148 171.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -137.45 133.15 34.35 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.168 1.387 . . . . 0.0 113.644 174.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.423 ' HE2' HG13 ' A' ' 7' ' ' VAL . 26.7 mtp -136.57 151.59 49.54 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.317 1.447 . . . . 0.0 112.496 169.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.474 HD13 HD13 ' A' ' 37' ' ' LEU . 3.3 mt -129.99 157.68 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 C-N-CA 125.856 1.662 . . . . 0.0 109.179 179.71 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -109.85 136.16 49.59 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 123.92 0.888 . . . . 0.0 111.452 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 52.0 t -65.56 132.16 48.19 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.163 0.985 . . . . 0.0 110.714 171.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -71.81 -18.58 62.08 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 177.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -91.41 -52.24 4.89 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -173.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.9 p -114.16 4.24 15.49 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 116.072 1.878 . . . . 0.0 116.072 -177.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.54 5.17 5.03 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 178.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.422 ' SG ' ' NE2' ' A' ' 30' ' ' GLN . 27.7 p -76.0 151.04 37.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 119.756 -1.84 . . . . 0.0 111.951 -175.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.421 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 65.8 m95 -103.59 144.42 31.45 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 125.469 1.508 . . . . 0.0 113.697 -176.117 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.422 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.0 mp0 -143.72 160.01 41.47 Favored 'General case' 0 CA--C 1.496 -1.117 0 O-C-N 121.198 -0.939 . . . . 0.0 110.442 -176.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -71.81 118.81 15.12 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 169.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.77 -36.31 78.75 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 118.756 -1.688 . . . . 0.0 114.067 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.67 -18.59 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 O-C-N 122.069 -0.665 . . . . 0.0 112.165 -177.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.3 m -79.74 -29.98 40.72 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.598 1.559 . . . . 0.0 112.705 170.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.5 mmt -95.39 -7.7 37.72 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.265 2.226 . . . . 0.0 113.058 -175.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.74 27.28 47.21 Favored Glycine 0 C--N 1.343 0.932 0 C-N-CA 126.104 1.811 . . . . 0.0 114.593 -176.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.474 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -129.98 151.31 50.68 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.09 0.956 . . . . 0.0 110.443 178.559 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.51 167.26 18.94 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 129.312 3.045 . . . . 0.0 107.881 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.45 -24.87 58.22 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 171.283 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.17 -37.86 84.47 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 170.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -100.85 1.03 39.66 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.594 1.701 . . . . 0.0 115.594 -170.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.634 HG21 HG21 ' C' ' 3' ' ' THR . 70.2 t -54.11 113.15 4.63 Favored Pre-proline 0 N--CA 1.487 1.41 0 CA-C-N 120.892 1.678 . . . . 0.0 110.105 -169.594 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -78.15 167.94 22.57 Favored 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 122.455 2.103 . . . . 0.0 111.305 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.77 -32.13 63.65 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.311 -0.868 . . . . 0.0 109.514 174.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -130.99 81.6 2.0 Favored 'General case' 0 C--N 1.34 0.159 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 175.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.51 125.38 32.34 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 114.618 -1.174 . . . . 0.0 107.967 167.413 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 p -96.19 138.78 33.31 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 125.325 1.45 . . . . 0.0 110.848 169.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.6 p -91.24 145.32 24.76 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-O 117.568 -1.206 . . . . 0.0 108.576 -176.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.631 ' HA ' ' H ' ' A' ' 53' ' ' ASP . 7.0 p90 -34.46 -45.05 0.22 Allowed 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 169.41 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.3 t -58.37 -31.62 43.26 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 O-C-N 120.218 -1.551 . . . . 0.0 111.956 176.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.8 m -91.26 -61.63 1.61 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.046 1.738 . . . . 0.0 111.531 168.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -59.34 2.76 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 115.929 1.826 . . . . 0.0 115.929 -178.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.631 ' H ' ' HA ' ' A' ' 49' ' ' TYR . 47.1 t0 . . . . . 0 N--CA 1.493 1.677 0 N-CA-C 118.119 2.637 . . . . 0.0 118.119 -175.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.875 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -59.7 152.69 22.03 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 120.451 1.478 . . . . 0.0 110.72 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 3' ' ' THR . . . . . 0.634 HG21 HG21 ' A' ' 42' ' ' VAL . 1.3 p -146.26 154.37 41.64 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.326 0 C-N-CA 125.276 1.43 . . . . 0.0 111.059 -174.365 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -140.34 151.96 45.43 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.316 1.446 . . . . 0.0 111.329 172.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 68.0 p -79.82 160.44 26.12 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.266 1.027 . . . . 0.0 112.815 174.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . 62.63 158.45 0.07 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.77 2.428 . . . . 0.0 116.115 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -135.94 27.99 3.22 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.722 1.609 . . . . 0.0 112.762 -177.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -71.22 157.11 38.71 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.483 1.513 . . . . 0.0 112.42 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 50.2 m -142.32 155.17 45.17 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.687 1.595 . . . . 0.0 111.942 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 83.6 m -73.35 -53.52 10.58 Favored 'General case' 0 C--O 1.253 1.247 0 C-N-CA 124.82 1.248 . . . . 0.0 111.425 174.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.255 -3.53 0 CA-C-N 118.799 0.727 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.996 0 N-CA-C 112.164 -0.374 . . . . 0.0 112.164 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 48.8 m80 -62.75 -20.03 64.56 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -170.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -33.8 76.62 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 53.03 13.96 0.42 Allowed 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -168.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.17 6.25 1.75 Allowed 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 129.531 3.132 . . . . 0.0 114.854 -168.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -87.29 153.59 21.35 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.415 1.886 . . . . 0.0 112.643 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -92.09 114.17 26.64 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.65 0.78 . . . . 0.0 110.399 169.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -125.53 157.85 36.01 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 126.269 1.827 . . . . 0.0 112.308 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -67.3 102.39 1.07 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.067 1.347 . . . . 0.0 107.589 172.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.2 t -133.47 108.41 12.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.991 1.317 . . . . 0.0 110.908 -169.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.418 HG13 ' HE2' ' A' ' 20' ' ' MET . 97.6 t -74.57 100.68 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 120.943 -1.098 . . . . 0.0 109.198 -179.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -128.35 89.82 2.97 Favored 'General case' 0 CA--C 1.511 -0.535 0 C-N-CA 125.481 1.512 . . . . 0.0 109.133 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.7 t -92.02 160.23 15.34 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 124.7 1.25 . . . . 0.0 111.879 170.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.45 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -54.53 -16.57 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 125.097 1.359 . . . . 0.0 113.612 169.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.45 ' N ' HD12 ' A' ' 10' ' ' ILE . 9.3 m -71.05 -15.7 62.56 Favored 'General case' 0 CA--C 1.556 1.178 0 C-N-CA 126.161 1.784 . . . . 0.0 110.82 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 50.8 38.04 18.58 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.559 2.344 . . . . 0.0 112.968 -172.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.52 138.75 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 127.09 2.156 . . . . 0.0 108.83 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -86.69 7.73 25.4 Favored 'General case' 0 CA--C 1.56 1.339 0 C-N-CA 123.794 0.838 . . . . 0.0 112.509 169.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.82 149.29 36.4 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 126.621 1.969 . . . . 0.0 110.757 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.24 119.22 38.83 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-O 124.911 2.291 . . . . 0.0 112.615 173.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -74.62 177.8 5.82 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 109.847 -3.342 . . . . 0.0 108.807 167.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -57.59 -33.74 68.5 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.705 1.202 . . . . 0.0 113.2 172.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -126.08 134.88 51.25 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.042 1.737 . . . . 0.0 114.08 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.418 ' HE2' HG13 ' A' ' 7' ' ' VAL . 26.8 mtp -137.61 151.97 48.88 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.583 1.553 . . . . 0.0 113.025 169.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.464 HD13 HD13 ' A' ' 37' ' ' LEU . 3.5 mt -131.2 156.82 43.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 125.818 1.647 . . . . 0.0 109.152 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -109.33 135.26 50.69 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.232 1.013 . . . . 0.0 111.291 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 46.9 t -65.44 132.38 48.8 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 124.252 1.021 . . . . 0.0 110.58 171.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -72.19 -18.68 61.84 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -90.99 -52.38 4.87 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -173.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.6 p -114.86 4.78 14.97 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 116.18 1.918 . . . . 0.0 116.18 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.88 5.11 5.08 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 116.741 2.126 . . . . 0.0 116.741 177.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.409 ' SG ' ' NE2' ' A' ' 30' ' ' GLN . 26.9 p -75.83 150.1 37.73 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 120.051 -1.656 . . . . 0.0 112.186 -175.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.415 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 65.9 m95 -102.53 144.4 31.01 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 125.705 1.602 . . . . 0.0 113.869 -176.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.409 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.3 mp0 -143.09 161.26 38.65 Favored 'General case' 0 CA--C 1.496 -1.13 0 O-C-N 121.211 -0.931 . . . . 0.0 110.48 -177.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -72.66 118.4 15.54 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 168.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.61 -35.76 74.98 Favored Glycine 0 CA--C 1.522 0.476 0 C-N-CA 118.812 -1.661 . . . . 0.0 114.102 -176.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.84 -18.2 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 122.149 -0.618 . . . . 0.0 112.103 -177.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 90.5 m -80.34 -29.73 38.03 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.527 1.531 . . . . 0.0 112.743 170.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.8 mmt -95.56 -7.96 36.43 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.429 2.291 . . . . 0.0 113.044 -175.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.21 27.63 43.77 Favored Glycine 0 C--N 1.343 0.944 0 C-N-CA 126.103 1.811 . . . . 0.0 114.348 -176.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.464 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -130.16 151.37 50.76 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 122.356 1.074 . . . . 0.0 110.429 178.485 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.58 167.06 19.33 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 129.462 3.105 . . . . 0.0 107.783 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.42 -24.77 57.56 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 171.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -67.22 -38.09 84.67 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 170.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -100.78 0.84 39.52 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 115.421 1.637 . . . . 0.0 115.421 -170.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.631 HG21 HG21 ' C' ' 3' ' ' THR . 68.8 t -54.0 113.0 4.38 Favored Pre-proline 0 N--CA 1.488 1.437 0 CA-C-N 120.895 1.679 . . . . 0.0 109.988 -169.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -77.94 167.83 23.04 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.468 2.112 . . . . 0.0 111.336 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -72.79 -31.81 65.12 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.22 -0.925 . . . . 0.0 109.637 175.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -132.87 82.66 2.01 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 125.043 1.337 . . . . 0.0 113.979 175.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.11 124.87 31.59 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 167.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.0 137.59 33.85 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 126.241 1.816 . . . . 0.0 111.272 169.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 p -93.51 148.49 22.03 Favored 'General case' 0 C--O 1.212 -0.914 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.018 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.417 ' HA ' ' H ' ' A' ' 53' ' ' ASP . 7.5 p90 -40.27 -37.83 0.7 Allowed 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 117.554 2.427 . . . . 0.0 117.554 170.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.1 -30.48 47.82 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 O-C-N 120.474 -1.391 . . . . 0.0 111.644 173.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 82.6 m -94.45 -62.71 1.28 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.421 1.889 . . . . 0.0 112.572 169.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -82.15 -30.95 30.77 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 117.117 2.266 . . . . 0.0 117.117 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.417 ' H ' ' HA ' ' A' ' 49' ' ' TYR . 34.2 t0 . . . . . 0 C--O 1.255 1.36 0 C-N-CA 126.594 1.958 . . . . 0.0 110.915 -168.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.852 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -58.18 151.0 20.05 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 120.24 1.382 . . . . 0.0 110.752 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . 0.631 HG21 HG21 ' A' ' 42' ' ' VAL . 1.3 p -145.83 153.44 40.9 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.331 0 C-N-CA 125.686 1.594 . . . . 0.0 110.348 -174.704 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -137.12 151.45 48.87 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.608 1.163 . . . . 0.0 111.488 177.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 14.6 t -151.95 165.61 34.06 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.216 1.006 . . . . 0.0 112.015 173.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.11 -37.36 0.1 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.928 1.291 . . . . 0.0 113.672 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -150.44 172.32 15.63 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.74 1.616 . . . . 0.0 112.592 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -58.06 161.8 3.84 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.066 1.346 . . . . 0.0 113.055 172.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 87.3 p -74.62 3.1 8.34 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 116.628 2.085 . . . . 0.0 116.628 -170.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 74.4 p -66.39 141.75 57.84 Favored 'General case' 0 C--O 1.255 1.387 0 C-N-CA 125.256 1.423 . . . . 0.0 114.698 -175.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.253 -3.591 0 O-C-N 122.131 -0.356 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.056 0 N-CA-C 111.939 -0.464 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -62.98 -18.13 62.89 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.861 1.8 . . . . 0.0 115.861 -170.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 20.0 ptp -64.05 -34.92 79.11 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 51.53 11.91 0.14 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.834 1.254 . . . . 0.0 114.113 -168.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.2 7.69 1.74 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 129.596 3.158 . . . . 0.0 114.791 -169.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -87.36 151.51 23.03 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.239 1.815 . . . . 0.0 112.698 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -92.13 114.47 27.02 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.991 0.917 . . . . 0.0 110.508 169.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -120.64 156.56 31.44 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.113 1.765 . . . . 0.0 112.335 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.66 102.87 1.97 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.31 1.444 . . . . 0.0 107.157 173.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.9 t -134.26 109.1 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.767 1.227 . . . . 0.0 111.202 -169.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.409 HG13 ' HE2' ' A' ' 20' ' ' MET . 95.6 t -74.41 99.8 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 O-C-N 120.933 -1.104 . . . . 0.0 108.996 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -126.91 89.76 3.04 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 125.368 1.467 . . . . 0.0 109.186 178.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.0 t -92.03 159.86 15.51 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 124.647 1.217 . . . . 0.0 111.917 170.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.457 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -54.26 -16.94 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 125.053 1.341 . . . . 0.0 113.677 169.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.457 ' N ' HD12 ' A' ' 10' ' ' ILE . 10.0 m -71.0 -15.26 62.56 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 126.434 1.894 . . . . 0.0 110.984 177.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 50.45 37.9 16.89 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 127.819 2.448 . . . . 0.0 112.98 -172.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.37 138.33 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 127.191 2.196 . . . . 0.0 108.849 177.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -86.47 8.06 23.38 Favored 'General case' 0 CA--C 1.562 1.412 0 C-N-CA 123.687 0.795 . . . . 0.0 112.577 169.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.45 149.86 32.91 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.673 1.989 . . . . 0.0 110.775 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.55 118.74 37.39 Favored 'General case' 0 N--CA 1.434 -1.26 0 CA-C-O 124.805 2.24 . . . . 0.0 112.745 172.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -74.43 178.21 5.41 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 109.934 -3.303 . . . . 0.0 109.083 167.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -57.77 -33.89 69.0 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.932 1.293 . . . . 0.0 113.084 172.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -126.8 134.8 50.49 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.946 1.698 . . . . 0.0 114.042 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.409 ' HE2' HG13 ' A' ' 7' ' ' VAL . 26.1 mtp -136.74 151.9 49.74 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.328 1.451 . . . . 0.0 113.008 169.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.467 HD13 HD13 ' A' ' 37' ' ' LEU . 3.3 mt -130.29 157.23 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 C-N-CA 125.863 1.665 . . . . 0.0 109.214 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -109.62 135.9 49.86 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.028 0.931 . . . . 0.0 111.11 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.1 t -65.6 131.89 47.48 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 124.275 1.03 . . . . 0.0 110.718 171.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -71.69 -18.52 62.16 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -91.57 -52.08 4.95 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -173.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 16.3 p -114.76 4.76 15.06 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 116.099 1.888 . . . . 0.0 116.099 -177.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.41 5.21 5.02 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 116.541 2.052 . . . . 0.0 116.541 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 28.1 p -75.98 150.38 37.45 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 119.735 -1.853 . . . . 0.0 112.133 -175.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.413 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 66.2 m95 -102.61 144.61 30.79 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.546 1.538 . . . . 0.0 113.845 -176.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.414 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.1 mp0 -143.66 160.22 41.07 Favored 'General case' 0 CA--C 1.497 -1.065 0 O-C-N 121.033 -1.042 . . . . 0.0 110.423 -177.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -72.09 118.44 14.97 Favored 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 169.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.35 -35.75 73.03 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 118.705 -1.712 . . . . 0.0 114.225 -176.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.4 -18.28 23.16 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 O-C-N 122.079 -0.659 . . . . 0.0 112.071 -176.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 93.3 m -80.24 -29.4 38.41 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.72 1.608 . . . . 0.0 112.895 170.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.8 mmt -95.33 -7.93 37.25 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 127.399 2.28 . . . . 0.0 113.111 -176.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.74 27.12 47.85 Favored Glycine 0 C--N 1.341 0.849 0 C-N-CA 125.969 1.747 . . . . 0.0 114.456 -176.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.467 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -129.83 151.25 50.61 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 122.288 1.042 . . . . 0.0 110.414 178.542 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.35 166.82 19.61 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 129.343 3.057 . . . . 0.0 107.751 178.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.25 -24.88 57.67 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 171.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -66.82 -38.02 85.63 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 170.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -100.94 1.14 39.49 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 -170.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.649 HG21 HG21 ' C' ' 3' ' ' THR . 71.1 t -54.27 112.96 4.43 Favored Pre-proline 0 N--CA 1.487 1.393 0 CA-C-N 120.941 1.7 . . . . 0.0 110.217 -169.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -78.89 165.34 24.47 Favored 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 122.443 2.095 . . . . 0.0 111.509 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.2 mp0 -69.97 -33.46 72.12 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 124.139 0.976 . . . . 0.0 109.601 176.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -132.99 82.2 1.98 Allowed 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 125.104 1.362 . . . . 0.0 114.092 174.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.407 ' CD1' HD11 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -84.4 125.54 32.42 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.115 167.445 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.7 p -95.61 138.17 33.66 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 125.651 1.58 . . . . 0.0 110.979 169.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.6 p -90.98 144.76 25.33 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-O 117.371 -1.3 . . . . 0.0 108.749 -176.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.642 ' HA ' ' H ' ' A' ' 53' ' ' ASP . 7.3 p90 -34.39 -44.81 0.2 Allowed 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 115.917 1.821 . . . . 0.0 115.917 169.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.4 t -58.22 -31.71 42.83 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 O-C-N 120.07 -1.644 . . . . 0.0 112.129 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.8 m -91.24 -60.9 1.78 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.866 1.666 . . . . 0.0 111.613 168.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.31 -59.16 2.85 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 116.174 1.916 . . . . 0.0 116.174 -178.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.642 ' H ' ' HA ' ' A' ' 49' ' ' TYR . 47.8 t0 . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 118.303 2.705 . . . . 0.0 118.303 -175.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.816 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 16.6 ttm-85 -59.19 151.73 22.22 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 120.248 1.385 . . . . 0.0 110.675 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . 0.649 HG21 HG21 ' A' ' 42' ' ' VAL . 1.5 p -146.01 153.68 41.03 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.322 0 C-N-CA 125.418 1.487 . . . . 0.0 110.442 -174.187 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -139.02 149.46 44.68 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.226 1.41 . . . . 0.0 110.808 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 34.5 p -69.95 151.69 45.32 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.713 0.805 . . . . 0.0 112.416 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -149.58 164.62 34.61 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.464 1.506 . . . . 0.0 112.421 -177.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 65.82 149.81 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 127.977 2.511 . . . . 0.0 114.149 -175.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -66.94 155.0 39.68 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.764 1.226 . . . . 0.0 112.111 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 24.5 m -64.01 151.8 41.9 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.764 1.226 . . . . 0.0 113.086 178.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 35.3 p -67.35 -42.03 84.16 Favored 'General case' 0 C--O 1.253 1.241 0 C-N-CA 125.182 1.393 . . . . 0.0 113.293 173.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.255 -3.526 0 CA-C-N 119.59 1.086 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.0 0 N-CA-C 112.408 -0.277 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -73.41 -27.58 61.53 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 -175.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -35.16 71.4 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 115.978 1.844 . . . . 0.0 115.978 -169.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 50.57 14.63 0.18 Allowed 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 -169.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.276 0.0 OUTLIER 59.22 -3.05 0.1 Allowed 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 130.011 3.324 . . . . 0.0 115.938 179.558 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -87.23 148.42 25.14 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 128.29 2.636 . . . . 0.0 112.61 170.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -92.98 114.38 26.93 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.171 0.589 . . . . 0.0 109.539 169.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -130.99 156.55 44.92 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.856 1.662 . . . . 0.0 112.448 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -68.87 102.22 1.52 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.219 1.407 . . . . 0.0 107.436 174.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.8 t -133.14 108.27 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 125.08 1.352 . . . . 0.0 110.72 -168.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.8 t -74.87 100.28 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 122.108 0.956 . . . . 0.0 109.073 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -128.33 90.03 3.01 Favored 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 125.47 1.508 . . . . 0.0 109.194 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.8 t -92.13 160.65 15.09 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 124.513 1.133 . . . . 0.0 111.957 170.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.455 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -54.48 -16.72 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 125.402 1.481 . . . . 0.0 113.484 168.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.455 ' N ' HD12 ' A' ' 10' ' ' ILE . 10.9 m -71.38 -15.44 62.37 Favored 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 126.073 1.749 . . . . 0.0 110.988 177.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 50.8 37.78 17.88 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.595 2.358 . . . . 0.0 113.13 -172.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.5 p -126.3 139.23 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 126.947 2.099 . . . . 0.0 108.853 177.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -86.83 8.03 24.56 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 123.818 0.847 . . . . 0.0 112.499 169.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.76 149.29 36.11 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 126.849 2.06 . . . . 0.0 110.636 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.63 118.84 37.64 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-O 124.516 2.103 . . . . 0.0 112.677 172.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -74.81 179.45 4.84 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 110.377 -3.101 . . . . 0.0 111.031 168.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.77 -14.97 60.91 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.206 1.403 . . . . 0.0 113.491 169.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -141.46 136.87 31.7 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 170.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 20.6 mtp -137.71 151.56 48.34 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.689 1.595 . . . . 0.0 113.274 169.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.485 HD13 HD13 ' A' ' 37' ' ' LEU . 3.6 mt -131.82 157.46 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 126.18 1.792 . . . . 0.0 109.076 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -109.16 136.01 49.34 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.327 1.051 . . . . 0.0 111.596 177.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.5 t -65.82 132.74 49.42 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.595 1.158 . . . . 0.0 110.619 171.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -72.84 -18.58 61.43 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 178.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -90.79 -51.96 5.11 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.24 0.829 . . . . 0.0 113.24 -173.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.0 p -114.93 4.16 14.73 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.94 5.79 5.43 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 116.792 2.145 . . . . 0.0 116.792 178.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.414 ' SG ' ' NE2' ' A' ' 30' ' ' GLN . 26.8 p -76.33 150.32 36.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 119.992 -1.693 . . . . 0.0 112.222 -175.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.422 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 65.3 m95 -102.71 143.93 31.73 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 125.741 1.616 . . . . 0.0 113.738 -176.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.414 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.4 mp0 -143.46 159.9 41.55 Favored 'General case' 0 CA--C 1.495 -1.137 0 O-C-N 121.283 -0.885 . . . . 0.0 110.458 -176.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -70.71 117.6 12.44 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 169.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.04 -39.24 89.32 Favored Glycine 0 N--CA 1.461 0.359 0 C-N-CA 118.934 -1.603 . . . . 0.0 113.936 -176.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.91 -23.47 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.458 0.703 . . . . 0.0 112.743 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.8 m -75.99 -30.41 58.55 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.828 1.251 . . . . 0.0 112.76 171.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.1 mmt -95.04 -7.8 38.57 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 127.599 2.36 . . . . 0.0 113.455 -175.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.93 27.31 46.24 Favored Glycine 0 C--N 1.344 0.985 0 C-N-CA 126.306 1.908 . . . . 0.0 114.515 -176.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.485 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -130.11 152.16 49.85 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 122.321 1.057 . . . . 0.0 110.536 178.018 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.39 166.79 19.71 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 129.46 3.104 . . . . 0.0 107.9 178.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.6 -24.18 54.93 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 171.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -67.92 -38.17 82.59 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 170.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -100.28 1.62 41.87 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -170.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.642 HG21 HG21 ' C' ' 3' ' ' THR . 78.8 t -54.21 112.89 4.34 Favored Pre-proline 0 N--CA 1.49 1.533 0 CA-C-N 120.737 1.608 . . . . 0.0 110.17 -169.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -78.05 167.78 22.95 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 122.163 1.908 . . . . 0.0 111.193 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -73.82 -31.42 63.22 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.352 -0.843 . . . . 0.0 109.516 174.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -131.53 81.74 2.0 Allowed 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 174.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.03 124.93 31.6 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.522 -1.217 . . . . 0.0 107.8 167.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.29 137.75 33.92 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 125.959 1.704 . . . . 0.0 111.193 170.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.0 p -93.72 148.35 22.2 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-O 118.426 -0.797 . . . . 0.0 109.609 -176.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.401 ' HA ' ' H ' ' A' ' 53' ' ' ASP . 7.2 p90 -40.24 -37.96 0.71 Allowed 'General case' 0 CA--C 1.553 1.077 0 N-CA-C 117.571 2.434 . . . . 0.0 117.571 170.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.71 -31.09 48.39 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 O-C-N 120.36 -1.463 . . . . 0.0 111.567 173.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 85.4 m -93.85 -63.26 1.22 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.629 1.972 . . . . 0.0 112.455 169.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -81.88 -30.65 31.86 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 117.291 2.33 . . . . 0.0 117.291 -175.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' H ' ' HA ' ' A' ' 49' ' ' TYR . 31.7 t0 . . . . . 0 C--O 1.258 1.543 0 C-N-CA 126.542 1.937 . . . . 0.0 111.169 -168.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.831 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -59.77 151.0 26.44 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 120.359 1.436 . . . . 0.0 110.933 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . 0.642 HG21 HG21 ' A' ' 42' ' ' VAL . 1.3 p -146.16 154.86 42.26 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.747 1.219 . . . . 0.0 112.883 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.629 0 N-CA-C 118.644 2.831 . . . . 0.0 118.644 -169.396 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 53.11 16.95 0.85 Allowed 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 -177.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 57.6 m 51.88 59.89 4.23 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.373 1.469 . . . . 0.0 111.595 -177.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.5 154.74 31.45 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.323 1.049 . . . . 0.0 113.149 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -71.24 -17.14 62.51 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -174.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -63.0 138.64 58.62 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.728 1.211 . . . . 0.0 111.898 -177.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 17.8 t -153.62 161.16 42.43 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.275 1.43 . . . . 0.0 111.603 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 79.1 m -71.82 -56.83 5.03 Favored 'General case' 0 C--O 1.251 1.182 0 C-N-CA 125.26 1.424 . . . . 0.0 111.951 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.256 -3.5 0 CA-C-N 119.088 0.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.005 0 N-CA-C 112.369 -0.293 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 40.9 t60 57.3 35.44 26.08 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.952 1.701 . . . . 0.0 114.495 176.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 18.0 ptm -67.52 -35.78 79.75 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.474 1.286 . . . . 0.0 114.474 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 47.97 12.22 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 -168.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.97 10.0 1.06 Allowed 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 128.985 2.914 . . . . 0.0 114.602 -169.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -87.19 154.84 20.41 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.272 1.829 . . . . 0.0 114.188 -173.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -86.91 114.04 23.21 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.036 1.734 . . . . 0.0 110.161 169.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -120.69 160.74 22.69 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.29 1.836 . . . . 0.0 113.269 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -66.89 102.75 1.01 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.169 1.788 . . . . 0.0 108.467 175.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.4 t -133.25 108.13 12.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.034 1.334 . . . . 0.0 111.225 -169.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.419 HG13 ' HE2' ' A' ' 20' ' ' MET . 93.1 t -74.8 99.95 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 O-C-N 120.86 -1.15 . . . . 0.0 109.361 -177.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.9 mtt85 -127.77 90.04 3.04 Favored 'General case' 0 CA--C 1.51 -0.593 0 C-N-CA 125.534 1.534 . . . . 0.0 109.29 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.1 t -92.26 160.15 15.28 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 124.556 1.16 . . . . 0.0 111.732 170.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.461 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -54.64 -16.83 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 C-N-CA 125.059 1.344 . . . . 0.0 113.554 168.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.461 ' N ' HD12 ' A' ' 10' ' ' ILE . 9.8 m -71.13 -15.08 62.48 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 126.213 1.805 . . . . 0.0 110.802 177.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 50.84 37.85 18.27 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 127.827 2.451 . . . . 0.0 113.056 -172.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.44 138.89 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 127.177 2.191 . . . . 0.0 108.882 177.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -86.94 7.98 25.12 Favored 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 123.764 0.826 . . . . 0.0 112.547 169.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -61.22 149.77 36.63 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 126.954 2.102 . . . . 0.0 110.69 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.75 116.56 31.91 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-O 125.928 2.775 . . . . 0.0 113.893 174.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -73.72 172.45 11.44 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 109.605 -3.452 . . . . 0.0 107.418 167.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -59.34 -32.95 70.56 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.442 0.905 . . . . 0.0 113.442 175.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -118.38 134.93 54.65 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.778 1.631 . . . . 0.0 114.561 172.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.419 ' HE2' HG13 ' A' ' 7' ' ' VAL . 25.2 mtp -137.66 152.52 49.4 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.71 1.604 . . . . 0.0 112.854 169.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.469 HD13 HD13 ' A' ' 37' ' ' LEU . 3.5 mt -131.48 157.14 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 125.961 1.704 . . . . 0.0 109.223 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -109.2 136.03 49.35 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.083 0.953 . . . . 0.0 111.548 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.2 t -65.95 133.17 50.29 Favored 'General case' 0 CA--C 1.519 -0.215 0 C-N-CA 124.409 1.084 . . . . 0.0 110.526 171.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -73.29 -18.17 61.24 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -91.29 -52.02 5.01 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -173.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.2 p -114.43 3.89 15.12 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.69 5.52 5.25 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 116.799 2.148 . . . . 0.0 116.799 178.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.412 ' SG ' ' NE2' ' A' ' 30' ' ' GLN . 27.2 p -75.92 150.06 37.6 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 119.944 -1.723 . . . . 0.0 112.197 -175.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.411 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 65.6 m95 -102.56 144.43 30.99 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 125.591 1.557 . . . . 0.0 113.929 -176.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.412 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.1 mp0 -143.11 160.75 39.82 Favored 'General case' 0 CA--C 1.498 -1.056 0 O-C-N 121.25 -0.906 . . . . 0.0 110.384 -177.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.1 m80 -72.17 118.06 14.57 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 168.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.41 -35.79 73.66 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 118.554 -1.784 . . . . 0.0 114.27 -176.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.76 -18.31 23.58 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 O-C-N 122.165 -0.609 . . . . 0.0 112.414 -177.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 88.1 m -79.91 -29.75 39.91 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.631 1.572 . . . . 0.0 112.741 170.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.8 mmt -95.35 -7.98 37.04 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 127.408 2.283 . . . . 0.0 113.291 -175.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.97 27.38 45.81 Favored Glycine 0 C--N 1.343 0.919 0 C-N-CA 125.951 1.739 . . . . 0.0 114.397 -176.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.469 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -129.93 150.82 51.05 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.346 1.059 . . . . 0.0 110.64 178.599 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.3 166.84 19.53 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 129.424 3.09 . . . . 0.0 107.783 178.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.09 -24.61 55.23 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 171.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -67.2 -38.07 84.71 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 170.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -101.3 1.34 38.6 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -170.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.64 HG21 HG21 ' C' ' 3' ' ' THR . 69.1 t -54.09 113.05 4.49 Favored Pre-proline 0 N--CA 1.488 1.471 0 CA-C-N 120.817 1.644 . . . . 0.0 109.992 -169.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -78.3 167.74 22.65 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 C-N-CA 122.508 2.138 . . . . 0.0 111.359 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.54 -31.86 63.89 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.383 -0.823 . . . . 0.0 109.77 174.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -131.47 81.26 1.97 Allowed 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 114.274 1.212 . . . . 0.0 114.274 174.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.401 ' CD1' HD11 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -84.16 124.62 31.35 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 114.594 -1.184 . . . . 0.0 107.836 167.366 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 p -95.57 139.83 31.27 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 125.978 1.711 . . . . 0.0 110.272 169.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 p -93.88 147.23 23.28 Favored 'General case' 0 C--O 1.211 -0.958 0 CA-C-O 117.626 -1.178 . . . . 0.0 110.08 -177.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -36.95 -39.01 0.2 Allowed 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 117.3 2.334 . . . . 0.0 117.3 169.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.6 t -60.87 -30.07 46.63 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.073 0 O-C-N 120.341 -1.474 . . . . 0.0 112.074 173.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 69.5 m -96.67 -61.46 1.41 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 127.324 2.25 . . . . 0.0 113.461 169.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -74.28 -36.46 63.8 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 115.578 1.696 . . . . 0.0 115.578 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.0 t0 . . . . . 0 C--O 1.256 1.442 0 C-N-CA 126.931 2.093 . . . . 0.0 113.934 -172.468 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.794 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -59.81 150.98 26.63 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-N 120.376 1.444 . . . . 0.0 110.535 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . 0.64 HG21 HG21 ' A' ' 42' ' ' VAL . 1.4 p -144.87 153.04 41.17 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.279 0 C-N-CA 125.946 1.698 . . . . 0.0 110.038 -175.279 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -134.46 133.6 40.63 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.02 0.928 . . . . 0.0 111.098 174.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 47.9 m -87.86 119.42 28.19 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.394 0.678 . . . . 0.0 111.285 -177.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.94 149.54 43.3 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.795 0.838 . . . . 0.0 112.1 172.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -125.04 161.3 27.04 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.564 1.546 . . . . 0.0 111.829 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 55.91 33.83 22.41 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 126.362 1.865 . . . . 0.0 114.015 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 18.0 t -69.72 153.21 43.69 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.26 1.024 . . . . 0.0 112.196 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 37.4 p -67.12 -50.82 60.08 Favored 'General case' 0 C--O 1.255 1.347 0 C-N-CA 125.628 1.571 . . . . 0.0 113.663 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.254 -3.549 0 CA-C-N 119.797 1.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.076 0 N-CA-C 112.081 -0.408 . . . . 0.0 112.081 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -73.17 -21.93 60.59 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 -174.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -34.54 78.69 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 -173.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 50.68 13.9 0.15 Allowed 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -169.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.89 8.99 1.06 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 128.896 2.878 . . . . 0.0 114.532 -169.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -87.35 155.71 19.93 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.546 1.938 . . . . 0.0 113.605 -175.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -91.41 114.72 27.32 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.406 1.083 . . . . 0.0 110.258 169.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -120.35 161.72 20.68 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.127 1.771 . . . . 0.0 112.688 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -61.84 108.2 0.97 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.742 1.217 . . . . 0.0 109.831 169.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 50.6 t -138.84 109.58 4.77 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.573 0 CA-C-N 114.489 -1.232 . . . . 0.0 109.62 -172.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.407 HG13 ' HE2' ' A' ' 20' ' ' MET . 80.5 t -74.66 98.57 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -178.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -126.16 89.71 3.06 Favored 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 125.357 1.463 . . . . 0.0 109.335 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.4 t -91.86 159.78 15.62 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 124.536 1.148 . . . . 0.0 111.943 169.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.469 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.4 pp -54.29 -16.55 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 125.132 1.373 . . . . 0.0 113.714 169.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.469 ' N ' HD12 ' A' ' 10' ' ' ILE . 9.8 m -70.92 -15.44 62.61 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 126.058 1.743 . . . . 0.0 110.815 176.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 51.21 37.65 19.04 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.917 2.487 . . . . 0.0 112.893 -172.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.53 138.32 55.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 C-N-CA 126.964 2.106 . . . . 0.0 109.205 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -86.16 8.28 21.62 Favored 'General case' 0 CA--C 1.561 1.372 0 C-N-CA 123.932 0.893 . . . . 0.0 112.739 170.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -61.87 150.87 36.14 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 126.807 2.043 . . . . 0.0 110.508 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.03 117.6 34.6 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-O 124.585 2.136 . . . . 0.0 112.661 172.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -74.25 176.51 6.59 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 110.122 -3.217 . . . . 0.0 109.469 167.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -58.68 -23.52 59.56 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.709 1.204 . . . . 0.0 113.674 173.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -135.92 138.52 42.47 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.384 1.474 . . . . 0.0 113.62 175.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.407 ' HE2' HG13 ' A' ' 7' ' ' VAL . 21.2 mtp -138.2 152.58 48.77 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 125.716 1.607 . . . . 0.0 113.52 169.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.503 HD13 HD13 ' A' ' 37' ' ' LEU . 3.3 mt -131.91 158.18 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 126.305 1.842 . . . . 0.0 109.172 179.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -109.36 136.66 48.43 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.188 0.995 . . . . 0.0 111.466 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.8 t -66.68 131.76 46.68 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 124.246 1.019 . . . . 0.0 110.45 171.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -71.48 -18.58 62.29 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -91.51 -52.25 4.87 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -173.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.489 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 16.7 p -114.73 4.93 15.14 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 115.928 1.825 . . . . 0.0 115.928 -177.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.51 5.07 4.97 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 177.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.489 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 26.8 p -75.3 150.81 38.4 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 120.251 -1.53 . . . . 0.0 112.416 -176.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.414 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 66.8 m95 -103.1 143.72 32.24 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 125.457 1.503 . . . . 0.0 113.429 -176.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.415 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.4 mp0 -142.76 160.88 39.46 Favored 'General case' 0 CA--C 1.496 -1.107 0 O-C-N 121.041 -1.037 . . . . 0.0 110.7 -177.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -71.72 119.03 15.31 Favored 'General case' 0 CA--C 1.509 -0.61 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 169.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.78 -35.15 73.34 Favored Glycine 0 C--O 1.228 -0.239 0 C-N-CA 118.464 -1.827 . . . . 0.0 114.183 -177.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.3 p -68.68 -19.04 23.79 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 O-C-N 122.035 -0.685 . . . . 0.0 111.978 -176.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 97.3 m -80.06 -28.37 39.24 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.674 1.59 . . . . 0.0 112.564 171.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 29.5 mmt -97.44 -6.82 33.05 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.423 2.289 . . . . 0.0 113.12 -176.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.51 23.43 47.19 Favored Glycine 0 C--N 1.343 0.944 0 C-N-CA 126.105 1.812 . . . . 0.0 114.849 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.503 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -129.75 152.0 49.72 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.465 1.106 . . . . 0.0 110.132 -177.034 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 mt -128.88 167.92 16.69 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 130.321 3.448 . . . . 0.0 107.017 177.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.05 -26.17 59.9 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 171.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -68.23 -38.87 82.32 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 171.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -95.97 0.49 51.85 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 117.389 -1.291 . . . . 0.0 114.448 -171.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.638 HG21 HG21 ' C' ' 3' ' ' THR . 90.4 t -54.61 113.12 4.76 Favored Pre-proline 0 N--CA 1.486 1.37 0 CA-C-N 120.507 1.503 . . . . 0.0 110.046 -169.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -78.04 167.2 23.85 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 122.294 1.996 . . . . 0.0 111.563 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.82 -30.13 62.53 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.233 -0.917 . . . . 0.0 109.696 175.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -132.43 81.46 1.96 Allowed 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 174.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.25 124.52 31.3 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 167.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.21 138.02 33.48 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 126.423 1.889 . . . . 0.0 111.0 169.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.5 p -93.28 148.11 22.33 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-O 118.384 -0.817 . . . . 0.0 109.749 -176.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.42 ' HA ' ' H ' ' A' ' 53' ' ' ASP . 8.4 p90 -40.35 -37.53 0.68 Allowed 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 117.585 2.439 . . . . 0.0 117.585 170.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.15 -30.43 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 O-C-N 120.206 -1.559 . . . . 0.0 111.819 172.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.8 m -94.23 -63.02 1.23 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.474 1.91 . . . . 0.0 112.525 169.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -82.37 -30.75 30.12 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 117.128 2.27 . . . . 0.0 117.128 -175.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.42 ' H ' ' HA ' ' A' ' 49' ' ' TYR . 30.6 t0 . . . . . 0 C--O 1.258 1.534 0 C-N-CA 126.628 1.971 . . . . 0.0 111.102 -168.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -61.72 152.57 30.75 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 120.261 1.391 . . . . 0.0 110.567 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . 0.638 HG21 HG21 ' A' ' 42' ' ' VAL . 1.3 p -146.9 152.64 39.01 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.902 1.281 . . . . 0.0 112.355 178.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.539 0 N-CA-C 116.603 2.075 . . . . 0.0 116.603 -169.536 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.3 20.62 2.75 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 173.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 39.2 p 51.35 18.98 0.7 Allowed 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 127.167 2.187 . . . . 0.0 115.416 -171.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . 54.34 19.96 2.49 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.561 1.945 . . . . 0.0 114.857 -171.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' ARG . . . . . 0.744 ' HE ' ' N ' ' C' ' 12' ' ' NH2 . 76.3 ttt180 -64.78 138.44 58.38 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.015 1.326 . . . . 0.0 112.162 -177.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -77.94 -165.2 0.61 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.98 1.712 . . . . 0.0 111.674 176.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 78.0 p -65.87 -23.23 66.61 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 121.103 -0.998 . . . . 0.0 113.546 173.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . 0.413 ' HG1' ' N ' ' C' ' 12' ' ' NH2 . 41.3 p -72.16 -58.67 3.23 Favored 'General case' 0 C--O 1.253 1.257 0 C-N-CA 126.611 1.964 . . . . 0.0 113.045 174.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' NH2 . . . . . 0.744 ' N ' ' HE ' ' C' ' 8' ' ' ARG . . . . . . . . 0 C--N 1.251 -3.676 0 CA-C-N 119.781 1.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.856 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 33.1 m80 59.18 30.64 20.45 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.686 1.595 . . . . 0.0 115.131 169.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 22.0 ptp -66.53 -34.3 77.61 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 49.98 10.92 0.05 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 128.07 2.548 . . . . 0.0 117.375 -169.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.261 0.0 OUTLIER 59.05 -1.17 0.12 Allowed 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 129.365 3.066 . . . . 0.0 115.84 173.113 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -87.16 146.85 25.86 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 127.926 2.49 . . . . 0.0 113.155 176.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -92.2 114.57 27.15 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.007 0.923 . . . . 0.0 109.774 169.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -128.69 158.06 39.63 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.918 1.687 . . . . 0.0 112.332 -177.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.88 103.17 1.07 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.149 1.379 . . . . 0.0 107.643 175.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.9 t -135.76 108.12 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.443 1.097 . . . . 0.0 110.392 -169.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.3 t -74.45 99.44 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 O-C-N 120.953 -1.092 . . . . 0.0 108.668 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -126.69 89.76 3.05 Favored 'General case' 0 CA--C 1.51 -0.563 0 C-N-CA 125.168 1.387 . . . . 0.0 109.158 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.3 t -92.23 160.0 15.36 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 124.486 1.116 . . . . 0.0 111.565 170.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.47 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -54.29 -16.52 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 125.233 1.413 . . . . 0.0 113.803 169.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.47 ' N ' HD12 ' A' ' 10' ' ' ILE . 10.2 m -70.88 -15.57 62.63 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 126.065 1.746 . . . . 0.0 110.854 176.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 51.08 37.58 18.4 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.68 2.392 . . . . 0.0 113.082 -172.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.6 p -126.34 140.06 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 C-N-CA 127.306 2.242 . . . . 0.0 108.787 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -87.42 7.7 27.95 Favored 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 123.746 0.819 . . . . 0.0 112.494 169.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -56.6 147.3 22.68 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.1 1.76 . . . . 0.0 111.301 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -108.78 116.64 32.36 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-O 125.081 2.372 . . . . 0.0 111.866 171.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -75.08 174.24 9.65 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 109.522 -3.49 . . . . 0.0 109.557 167.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -58.72 -29.39 66.66 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.471 1.508 . . . . 0.0 114.227 171.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -126.65 131.31 51.47 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.122 1.369 . . . . 0.0 114.286 174.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 22.7 mtp -136.03 149.57 48.85 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.304 1.442 . . . . 0.0 112.463 169.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.463 HD13 HD13 ' A' ' 37' ' ' LEU . 3.5 mt -127.02 156.83 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 C-N-CA 126.219 1.807 . . . . 0.0 108.424 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.443 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 20.4 tt0 -110.09 134.9 51.69 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 119.183 0.902 . . . . 0.0 110.845 177.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.1 t -65.18 132.11 48.28 Favored 'General case' 0 CA--C 1.517 -0.297 0 C-N-CA 123.476 0.71 . . . . 0.0 110.158 172.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -72.08 -19.97 61.73 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 178.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -90.05 -52.31 5.02 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -173.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.9 p -115.15 4.73 14.65 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 -177.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.15 4.77 5.0 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 177.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.423 ' SG ' ' NE2' ' A' ' 30' ' ' GLN . 26.7 p -75.82 149.11 37.95 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 119.643 -1.91 . . . . 0.0 111.886 -175.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.443 ' CE2' ' HB2' ' A' ' 22' ' ' GLN . 68.3 m95 -100.42 144.99 28.77 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 125.132 1.373 . . . . 0.0 113.634 -178.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.1 mp0 -143.05 159.33 42.47 Favored 'General case' 0 CA--C 1.491 -1.303 0 O-C-N 121.379 -0.825 . . . . 0.0 109.943 -177.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -71.71 118.79 14.99 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 169.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.51 -36.23 76.5 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 118.654 -1.736 . . . . 0.0 114.72 -176.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.34 -19.78 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 122.11 -0.641 . . . . 0.0 111.996 -176.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 95.0 m -79.18 -29.49 42.98 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.662 1.585 . . . . 0.0 112.88 171.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.6 mmt -95.46 -7.27 38.69 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.229 2.212 . . . . 0.0 113.186 -176.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.54 26.9 49.53 Favored Glycine 0 C--N 1.343 0.917 0 C-N-CA 125.807 1.67 . . . . 0.0 114.618 -176.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.463 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -130.14 150.8 51.23 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.363 1.065 . . . . 0.0 110.254 179.378 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.44 167.93 17.82 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 129.011 2.925 . . . . 0.0 107.806 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.11 -23.78 56.21 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 171.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -68.48 -38.04 80.66 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 170.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -100.39 1.74 41.66 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 -170.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.491 HG21 HG21 ' C' ' 3' ' ' THR . 85.1 t -54.7 112.68 4.27 Favored Pre-proline 0 N--CA 1.484 1.26 0 CA-C-N 120.451 1.478 . . . . 0.0 110.368 -169.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.1 163.75 30.3 Favored 'Trans proline' 0 N--CA 1.449 -1.102 0 C-N-CA 122.096 1.864 . . . . 0.0 110.931 176.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.7 mp0 -67.96 -35.85 79.07 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 124.104 0.962 . . . . 0.0 109.164 175.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.4 mtmt -130.75 81.35 1.99 Allowed 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.356 1.462 . . . . 0.0 113.719 177.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.01 125.91 32.53 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 167.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 p -94.84 139.31 31.47 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 125.869 1.667 . . . . 0.0 109.927 169.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.6 p -93.09 147.75 22.6 Favored 'General case' 0 C--O 1.209 -1.028 0 CA-C-O 117.641 -1.171 . . . . 0.0 110.453 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -37.53 -38.09 0.24 Allowed 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 117.275 2.324 . . . . 0.0 117.275 169.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.85 -30.02 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 O-C-N 120.049 -1.657 . . . . 0.0 111.751 173.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 70.7 m -96.33 -62.07 1.33 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.22 2.208 . . . . 0.0 113.28 169.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -74.2 -36.45 63.99 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 t0 . . . . . 0 N--CA 1.488 1.469 0 C-N-CA 126.484 1.914 . . . . 0.0 114.18 -171.786 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.31 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 56.9 -73.95 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 129.95 3.3 . . . . 0.0 118.568 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . 0.491 HG21 HG21 ' A' ' 42' ' ' VAL 0.261 4.7 p 56.02 155.0 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 128.622 2.769 . . . . 0.0 118.203 -169.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.754 0 N-CA-C 118.003 2.594 . . . . 0.0 118.003 -172.147 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 46.88 47.51 15.44 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 172.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 13.2 t -62.98 132.41 51.93 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 120.825 -1.172 . . . . 0.0 112.577 -175.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.98 -35.12 43.5 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' ARG . . . . . 0.723 HH22 ' N ' ' C' ' 12' ' ' NH2 . 48.3 ttt-85 -161.42 144.02 12.18 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.913 1.685 . . . . 0.0 111.0 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -70.49 176.27 4.19 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.21 1.004 . . . . 0.0 111.343 169.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 79.8 p -53.99 155.92 3.22 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.264 1.026 . . . . 0.0 112.458 172.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 34.0 m -37.1 107.43 0.06 Allowed 'General case' 0 C--O 1.253 1.28 0 C-N-CA 127.308 2.243 . . . . 0.0 114.617 -169.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' NH2 . . . . . 0.723 ' N ' HH22 ' C' ' 8' ' ' ARG . . . . . . . . 0 C--N 1.254 -3.558 0 O-C-N 123.478 0.486 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.981 0 N-CA-C 112.667 -0.173 . . . . 0.0 112.667 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 55.94 35.38 25.39 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 126.165 1.786 . . . . 0.0 114.757 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 22.9 ptt? -65.5 -34.38 78.13 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -176.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 49.74 10.7 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 128.251 2.62 . . . . 0.0 117.766 -172.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.269 0.0 OUTLIER 53.15 14.84 0.53 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 127.46 2.304 . . . . 0.0 115.597 175.612 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.14 159.33 19.55 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.087 1.755 . . . . 0.0 113.657 -171.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -79.66 114.68 18.76 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.188 0.595 . . . . 0.0 109.726 169.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -121.35 161.06 22.75 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 126.057 1.743 . . . . 0.0 112.431 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -67.61 102.5 1.18 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.49 1.516 . . . . 0.0 107.736 174.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.0 t -133.04 108.92 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 124.818 1.247 . . . . 0.0 110.346 -169.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.2 t -74.42 102.45 2.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 121.152 -0.968 . . . . 0.0 108.73 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -129.75 89.74 2.87 Favored 'General case' 0 CA--C 1.51 -0.577 0 C-N-CA 125.22 1.408 . . . . 0.0 108.71 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.3 t -92.73 159.44 15.42 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 124.675 1.234 . . . . 0.0 111.707 170.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.473 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -53.31 -17.15 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 125.037 1.335 . . . . 0.0 113.759 169.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.473 ' N ' HD12 ' A' ' 10' ' ' ILE . 10.8 m -69.7 -16.5 63.35 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 125.952 1.701 . . . . 0.0 110.766 175.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . 0.262 79.9 mm-40 48.71 40.32 15.64 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 128.849 2.86 . . . . 0.0 112.765 -173.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.1 141.06 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 128.606 2.762 . . . . 0.0 108.543 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -88.9 7.77 32.73 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 123.673 0.789 . . . . 0.0 112.572 169.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -56.82 147.47 23.19 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.759 1.623 . . . . 0.0 111.491 177.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -108.89 115.82 30.8 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 126.193 2.902 . . . . 0.0 112.45 172.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -74.08 172.38 11.81 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 108.987 -3.733 . . . . 0.0 107.472 167.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -61.08 -37.67 83.53 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -112.05 132.06 55.05 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.487 1.515 . . . . 0.0 114.08 172.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.8 mtp -136.52 150.06 48.46 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.176 1.39 . . . . 0.0 112.447 169.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.443 HG23 HG23 ' C' ' 3' ' ' THR . 3.3 mt -127.2 155.97 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 C-N-CA 126.084 1.754 . . . . 0.0 108.985 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.416 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 21.9 tt0 -109.68 134.54 51.86 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.024 0.829 . . . . 0.0 111.231 178.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.74 131.01 45.68 Favored 'General case' 0 CA--C 1.516 -0.357 0 C-N-CA 123.665 0.786 . . . . 0.0 110.301 171.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -72.24 -18.58 61.81 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -90.33 -51.71 5.29 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 -174.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.428 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 16.4 p -114.5 4.37 15.2 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 -178.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.75 4.56 4.79 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 116.679 2.103 . . . . 0.0 116.679 178.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.428 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 27.4 p -75.58 150.27 38.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 120.167 -1.583 . . . . 0.0 112.176 -174.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.416 ' CE2' ' HB2' ' A' ' 22' ' ' GLN . 65.7 m95 -102.97 144.32 31.41 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 125.153 1.381 . . . . 0.0 113.635 -176.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.421 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.0 mp0 -142.26 159.84 41.44 Favored 'General case' 0 CA--C 1.494 -1.179 0 CA-C-N 118.508 0.595 . . . . 0.0 110.214 -177.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -72.27 118.59 15.34 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 106.403 -1.703 . . . . 0.0 106.403 168.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.56 -36.65 78.92 Favored Glycine 0 N--CA 1.461 0.348 0 C-N-CA 118.955 -1.593 . . . . 0.0 114.462 -176.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.18 -19.12 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.408 0.683 . . . . 0.0 112.213 -176.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 93.9 m -79.86 -30.64 40.34 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.498 1.519 . . . . 0.0 112.897 170.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.7 mmt -93.76 -7.41 43.59 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.356 2.262 . . . . 0.0 113.05 -176.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.44 26.77 50.35 Favored Glycine 0 C--N 1.343 0.935 0 C-N-CA 125.851 1.691 . . . . 0.0 114.197 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.438 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -129.74 150.33 51.1 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.398 1.079 . . . . 0.0 110.289 178.814 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.53 167.36 18.8 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 129.051 2.941 . . . . 0.0 107.668 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.04 -24.7 55.74 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 170.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -67.7 -38.2 83.31 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 170.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -100.45 1.27 41.04 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 115.359 1.615 . . . . 0.0 115.359 -171.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.49 HG21 HG21 ' C' ' 3' ' ' THR . 90.9 t -54.28 112.99 4.46 Favored Pre-proline 0 N--CA 1.486 1.364 0 CA-C-N 120.726 1.603 . . . . 0.0 110.023 -169.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -75.93 168.66 23.72 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.184 1.923 . . . . 0.0 110.859 177.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -70.76 -37.54 73.4 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.266 -0.896 . . . . 0.0 108.693 173.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -128.73 82.68 2.1 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.194 1.398 . . . . 0.0 113.541 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.09 125.69 32.37 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 114.416 -1.265 . . . . 0.0 108.19 167.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.3 136.05 35.02 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 126.207 1.803 . . . . 0.0 110.987 169.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.7 p -91.8 147.1 23.23 Favored 'General case' 0 C--O 1.211 -0.948 0 CA-C-O 117.493 -1.242 . . . . 0.0 109.925 -176.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.636 ' HA ' ' H ' ' A' ' 53' ' ' ASP . 6.2 p90 -34.8 -45.6 0.26 Allowed 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 169.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -59.14 -31.2 45.42 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 O-C-N 120.355 -1.466 . . . . 0.0 112.279 176.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 77.4 m -91.31 -60.23 1.95 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.642 1.577 . . . . 0.0 111.569 169.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -74.48 -62.29 1.58 Allowed 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 116.195 1.924 . . . . 0.0 116.195 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.636 ' H ' ' HA ' ' A' ' 49' ' ' TYR . 47.0 t0 . . . . . 0 C--O 1.256 1.435 0 N-CA-C 117.766 2.506 . . . . 0.0 117.766 -172.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.348 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . 0.262 8.3 ttt180 44.67 -70.03 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.103 1 C-N-CA 131.741 4.016 . . . . 0.0 118.611 -175.024 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . 0.49 HG21 HG21 ' A' ' 42' ' ' VAL 0.303 2.9 p 57.77 149.85 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 129.204 3.002 . . . . 0.0 119.048 -174.827 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.394 0 C-N-CA 125.896 1.678 . . . . 0.0 110.078 -176.749 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -132.79 131.49 41.16 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.999 0.92 . . . . 0.0 110.762 169.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 92.4 m -78.68 112.85 16.21 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.393 0.677 . . . . 0.0 111.408 -176.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.89 142.51 36.72 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.827 0.851 . . . . 0.0 110.747 169.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 88.8 mtt-85 -127.1 18.8 7.08 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -174.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.773 ' HZ3' ' N ' ' C' ' 12' ' ' NH2 . 8.8 ptmm? -63.71 144.58 56.91 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.025 1.33 . . . . 0.0 112.434 177.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 77.5 p -76.03 -21.71 56.54 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -173.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 50.3 p -140.62 -51.38 0.47 Allowed 'General case' 0 C--O 1.253 1.26 0 C-N-CA 126.404 1.882 . . . . 0.0 111.631 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' NH2 . . . . . 0.773 ' N ' ' HZ3' ' C' ' 9' ' ' LYS . . . . . . . . 0 C--N 1.253 -3.622 0 CA-C-N 118.649 0.659 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.085 0 N-CA-C 112.018 -0.433 . . . . 0.0 112.018 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -54.78 -29.27 53.82 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.05 1.74 . . . . 0.0 115.46 -169.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -32.79 74.62 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 178.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 55.16 16.8 1.73 Allowed 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 119.416 1.007 . . . . 0.0 113.017 -168.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.81 2.07 2.48 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 130.039 3.336 . . . . 0.0 115.318 -169.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -87.25 162.2 17.57 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.408 1.883 . . . . 0.0 112.336 169.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -90.64 112.31 23.98 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 169.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -136.45 161.34 36.11 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.304 1.842 . . . . 0.0 111.771 -178.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -61.5 104.88 0.46 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.231 1.012 . . . . 0.0 110.127 169.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.8 t -137.21 109.62 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.702 -173.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.416 HG13 ' HE2' ' A' ' 20' ' ' MET . 86.6 t -74.9 98.77 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 O-C-N 121.078 -1.014 . . . . 0.0 108.337 -177.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -126.37 89.63 3.04 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 125.094 1.357 . . . . 0.0 109.02 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.9 t -91.85 160.17 15.43 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 124.757 1.285 . . . . 0.0 111.804 169.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.466 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -54.4 -16.81 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 C-N-CA 125.108 1.363 . . . . 0.0 113.634 169.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.466 ' N ' HD12 ' A' ' 10' ' ' ILE . 9.3 m -70.63 -15.56 62.75 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 126.237 1.815 . . . . 0.0 110.835 177.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 50.74 37.54 17.06 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 127.735 2.414 . . . . 0.0 113.09 -172.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.48 138.14 55.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 C-N-CA 126.978 2.111 . . . . 0.0 108.955 177.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -86.15 7.99 22.73 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 123.833 0.853 . . . . 0.0 112.745 169.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -61.21 149.61 37.05 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 126.612 1.965 . . . . 0.0 110.465 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.46 117.93 35.3 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-O 124.715 2.198 . . . . 0.0 113.314 173.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -75.12 172.75 11.81 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 110.071 -3.24 . . . . 0.0 107.86 166.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -57.77 -32.56 67.61 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.429 1.092 . . . . 0.0 113.397 175.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -121.27 133.06 55.13 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.169 1.788 . . . . 0.0 114.169 175.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.416 ' HE2' HG13 ' A' ' 7' ' ' VAL . 25.7 mtp -137.13 151.33 48.72 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.118 1.367 . . . . 0.0 112.461 169.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.454 HD13 HD13 ' A' ' 37' ' ' LEU . 3.3 mt -127.81 157.09 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 C-N-CA 125.718 1.607 . . . . 0.0 108.861 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.435 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 26.9 tt0 -109.04 134.82 51.16 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.009 0.822 . . . . 0.0 111.568 177.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 46.5 t -65.04 129.69 40.63 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 123.82 0.848 . . . . 0.0 110.123 171.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -71.9 -18.14 62.06 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -89.9 -52.13 5.13 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -174.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.489 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 16.3 p -114.69 4.73 15.12 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 116.2 1.926 . . . . 0.0 116.2 -178.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.96 4.34 4.75 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 116.791 2.145 . . . . 0.0 116.791 177.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.489 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 27.2 p -75.1 151.06 38.65 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 120.383 -1.448 . . . . 0.0 112.254 -175.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.435 ' CE2' ' HB2' ' A' ' 22' ' ' GLN . 71.0 m95 -103.97 143.83 32.34 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.911 1.284 . . . . 0.0 113.859 -176.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.416 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.0 mp0 -142.56 160.14 40.87 Favored 'General case' 0 CA--C 1.497 -1.079 0 O-C-N 121.233 -0.917 . . . . 0.0 110.453 -177.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -71.92 118.68 15.08 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 169.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.49 -36.63 78.3 Favored Glycine 0 N--CA 1.461 0.338 0 C-N-CA 118.718 -1.706 . . . . 0.0 114.353 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.24 -18.52 24.2 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 C-N-CA 123.19 0.596 . . . . 0.0 112.32 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.5 m -80.21 -30.05 38.63 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.886 1.675 . . . . 0.0 112.732 171.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.5 mmt -94.82 -7.87 39.07 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 127.499 2.32 . . . . 0.0 113.167 -176.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.24 26.85 46.57 Favored Glycine 0 C--N 1.344 0.979 0 C-N-CA 126.079 1.799 . . . . 0.0 114.276 -176.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.454 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -129.94 150.35 51.27 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 122.39 1.09 . . . . 0.0 109.987 179.24 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.47 167.23 18.97 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 129.251 3.02 . . . . 0.0 107.668 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.51 -25.06 50.41 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 170.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.63 -37.91 83.12 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 170.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -100.9 1.49 39.95 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 -171.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.553 HG21 HG21 ' C' ' 3' ' ' THR . 91.3 t -54.43 113.54 5.35 Favored Pre-proline 0 N--CA 1.487 1.423 0 CA-C-N 120.611 1.55 . . . . 0.0 110.251 -169.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -77.46 164.38 28.68 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 122.494 2.129 . . . . 0.0 111.177 175.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.0 mp0 -67.0 -37.73 84.73 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 124.406 1.082 . . . . 0.0 108.939 174.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -130.32 82.28 2.05 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.487 1.515 . . . . 0.0 113.757 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.03 126.95 33.55 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.737 -1.119 . . . . 0.0 108.041 167.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.01 137.24 35.36 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 126.339 1.855 . . . . 0.0 111.241 170.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.2 p -93.15 148.18 22.24 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.041 -176.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.411 ' HA ' ' H ' ' A' ' 53' ' ' ASP . 7.4 p90 -40.02 -38.29 0.7 Allowed 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 117.641 2.46 . . . . 0.0 117.641 170.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.4 t -61.17 -29.28 45.47 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.991 0 O-C-N 120.422 -1.423 . . . . 0.0 111.736 173.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 86.3 m -95.43 -63.27 1.18 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.97 2.108 . . . . 0.0 112.483 169.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -81.95 -30.63 31.65 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 117.256 2.317 . . . . 0.0 117.256 -175.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.411 ' H ' ' HA ' ' A' ' 49' ' ' TYR . 29.7 t0 . . . . . 0 C--O 1.256 1.433 0 C-N-CA 126.574 1.95 . . . . 0.0 110.918 -168.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.362 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . 0.259 11.8 ttt180 50.35 -69.89 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.055 0 C-N-CA 131.238 3.815 . . . . 0.0 118.851 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . 0.553 HG21 HG21 ' A' ' 42' ' ' VAL 0.315 6.0 p 57.64 149.57 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 119.431 3.122 . . . . 0.0 119.431 -173.842 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.458 0 C-N-CA 126.658 1.983 . . . . 0.0 109.913 -177.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -139.55 148.31 42.4 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.887 1.275 . . . . 0.0 111.412 176.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 30.2 p -123.16 11.89 9.51 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.55 149.77 45.52 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.798 0.839 . . . . 0.0 112.75 175.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -66.65 152.45 45.36 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.605 1.162 . . . . 0.0 112.256 -177.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -66.66 152.78 44.72 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.423 1.089 . . . . 0.0 112.257 172.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -74.78 151.17 39.13 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.526 1.13 . . . . 0.0 112.389 174.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 27.3 p -140.88 125.72 18.11 Favored 'General case' 0 C--O 1.254 1.328 0 C-N-CA 126.525 1.93 . . . . 0.0 112.112 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.253 -3.604 0 CA-C-N 118.092 0.405 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.788 0 N-CA-C 112.292 -0.323 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -81.01 -58.67 2.97 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.658 0.783 . . . . 0.0 112.701 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -81.75 -34.92 30.19 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.141 1.164 . . . . 0.0 114.141 -177.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 47.41 17.56 0.08 Allowed 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 -170.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.28 0.0 OUTLIER 51.11 16.6 0.38 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.957 2.103 . . . . 0.0 115.087 -172.009 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.98 158.95 19.75 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.208 1.803 . . . . 0.0 113.314 -174.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -80.12 114.48 19.06 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 121.262 0.554 . . . . 0.0 110.19 169.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -133.38 161.51 34.34 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.661 1.985 . . . . 0.0 111.789 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -67.72 102.19 1.17 Allowed 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.2 t -134.23 108.38 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 125.228 1.411 . . . . 0.0 110.658 -169.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.4 HG13 ' HE2' ' A' ' 20' ' ' MET . 94.6 t -74.7 99.77 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 O-C-N 121.113 -0.992 . . . . 0.0 109.143 -178.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -126.74 89.95 3.08 Favored 'General case' 0 CA--C 1.511 -0.535 0 C-N-CA 125.444 1.498 . . . . 0.0 109.041 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 39.7 t -92.43 160.14 15.22 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 124.825 1.328 . . . . 0.0 111.918 170.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.457 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -54.56 -16.67 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 C-N-CA 125.245 1.418 . . . . 0.0 113.585 168.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.457 ' N ' HD12 ' A' ' 10' ' ' ILE . 10.3 m -70.88 -15.55 62.63 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 126.098 1.759 . . . . 0.0 110.808 177.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 50.73 37.75 17.57 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 127.712 2.405 . . . . 0.0 113.172 -171.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.3 p -126.47 138.29 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 126.872 2.069 . . . . 0.0 109.046 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -86.64 7.94 24.38 Favored 'General case' 0 CA--C 1.56 1.36 0 C-N-CA 123.871 0.869 . . . . 0.0 112.338 169.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.49 150.6 35.24 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 126.743 2.017 . . . . 0.0 110.723 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.12 120.64 43.14 Favored 'General case' 0 N--CA 1.433 -1.319 0 CA-C-O 124.647 2.165 . . . . 0.0 111.925 173.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -74.53 -174.88 2.2 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 110.062 -3.245 . . . . 0.0 109.63 168.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -58.86 -40.28 83.83 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 120.943 -1.098 . . . . 0.0 112.848 169.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -124.53 137.0 54.44 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.236 1.815 . . . . 0.0 113.627 -178.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.4 ' HE2' HG13 ' A' ' 7' ' ' VAL . 25.9 mtp -136.93 152.41 50.16 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.288 1.435 . . . . 0.0 113.188 169.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.463 HD13 HD13 ' A' ' 37' ' ' LEU . 3.4 mt -131.81 156.76 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 C-N-CA 125.928 1.691 . . . . 0.0 109.186 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -108.89 135.98 49.18 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.321 1.048 . . . . 0.0 111.226 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.5 t -65.83 131.76 47.07 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 124.469 1.107 . . . . 0.0 110.577 171.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -71.5 -18.75 62.26 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 177.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -91.29 -52.52 4.76 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -173.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 16.5 p -114.09 4.48 15.65 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 116.089 1.885 . . . . 0.0 116.089 -178.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.65 5.47 5.22 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 116.769 2.137 . . . . 0.0 116.769 178.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 27.5 p -76.27 151.08 36.88 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 119.949 -1.72 . . . . 0.0 111.958 -175.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.417 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 64.1 m95 -103.57 144.6 31.21 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 125.461 1.504 . . . . 0.0 113.587 -176.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.417 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.1 mp0 -143.4 160.45 40.52 Favored 'General case' 0 CA--C 1.496 -1.12 0 O-C-N 121.266 -0.896 . . . . 0.0 110.491 -176.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -71.9 118.6 14.96 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 169.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.63 -35.53 74.05 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 118.706 -1.711 . . . . 0.0 114.047 -176.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.75 -17.47 22.09 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 O-C-N 122.039 -0.683 . . . . 0.0 112.051 -176.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 89.5 m -80.74 -29.45 36.3 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.575 1.55 . . . . 0.0 112.612 170.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.6 mmt -95.96 -7.86 35.39 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.303 2.241 . . . . 0.0 113.231 -175.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.21 27.36 44.82 Favored Glycine 0 C--N 1.343 0.917 0 C-N-CA 126.022 1.772 . . . . 0.0 114.324 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.463 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -129.88 151.16 50.75 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 122.404 1.097 . . . . 0.0 110.658 178.436 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.37 166.79 19.68 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 129.39 3.076 . . . . 0.0 107.852 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.17 -24.96 58.0 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 171.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.01 -37.99 85.17 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 170.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -100.8 0.78 39.36 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -170.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.625 HG21 HG21 ' C' ' 3' ' ' THR . 71.0 t -53.85 113.07 4.42 Favored Pre-proline 0 N--CA 1.486 1.35 0 CA-C-N 120.895 1.68 . . . . 0.0 110.235 -169.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -79.16 165.24 23.96 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 122.539 2.159 . . . . 0.0 111.516 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.0 mp0 -69.57 -34.27 73.94 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 124.083 0.953 . . . . 0.0 109.514 175.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -132.47 81.61 1.96 Allowed 'General case' 0 C--O 1.233 0.21 0 C-N-CA 125.055 1.342 . . . . 0.0 114.115 175.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.416 ' CD1' HD11 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -84.35 125.85 32.67 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 114.688 -1.142 . . . . 0.0 107.927 167.494 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.6 p -95.87 139.14 32.51 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 125.623 1.569 . . . . 0.0 110.87 169.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.0 p -92.12 144.73 25.14 Favored 'General case' 0 C--O 1.211 -0.929 0 CA-C-O 117.471 -1.252 . . . . 0.0 109.15 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.561 ' HA ' ' H ' ' A' ' 53' ' ' ASP . 8.6 p90 -34.14 -43.71 0.16 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 169.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.4 t -60.1 -30.83 46.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 O-C-N 119.419 -2.051 . . . . 0.0 112.227 176.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.7 m -91.93 -61.1 1.7 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.067 1.747 . . . . 0.0 111.858 168.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -50.78 20.06 Favored 'General case' 0 C--N 1.352 0.703 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 -177.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.561 ' H ' ' HA ' ' A' ' 49' ' ' TYR . 45.3 t0 . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 119.847 3.277 . . . . 0.0 119.847 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.847 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -57.01 149.59 18.68 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 120.373 1.442 . . . . 0.0 110.834 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . 0.625 HG21 HG21 ' A' ' 42' ' ' VAL . 1.6 p -144.38 153.41 41.92 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.263 0 C-N-CA 125.895 1.678 . . . . 0.0 109.958 -175.022 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -129.77 136.09 49.22 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.025 0.93 . . . . 0.0 110.844 171.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 1.7 p -140.37 28.72 2.02 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 125.708 1.603 . . . . 0.0 112.722 -169.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.71 131.65 46.85 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.396 1.078 . . . . 0.0 113.075 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -91.14 -11.43 38.5 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.196 1.399 . . . . 0.0 113.527 176.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -62.37 149.05 43.41 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.845 1.658 . . . . 0.0 112.845 -175.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 19.6 m -66.07 154.93 38.24 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.146 1.378 . . . . 0.0 113.211 178.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 65.4 m -70.83 -53.15 16.34 Favored 'General case' 0 C--O 1.254 1.297 0 C-N-CA 124.853 1.261 . . . . 0.0 111.279 172.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.254 -3.575 0 CA-C-N 118.841 0.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.998 0 N-CA-C 112.095 -0.402 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 51.7 m80 -65.73 -17.7 64.8 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 -170.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -33.81 76.76 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 49.84 17.52 0.28 Allowed 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -169.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.282 0.0 OUTLIER 51.94 15.29 0.39 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 127.377 2.271 . . . . 0.0 115.076 -169.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -86.56 154.86 20.75 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.341 1.856 . . . . 0.0 112.788 -178.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -83.89 114.58 21.77 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 122.971 0.508 . . . . 0.0 109.986 169.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -123.71 154.45 39.43 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.796 1.638 . . . . 0.0 112.109 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -66.29 102.2 0.82 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.545 1.938 . . . . 0.0 107.62 173.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.1 t -136.17 111.95 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 125.16 1.384 . . . . 0.0 110.696 -168.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.405 HG13 ' HE2' ' A' ' 20' ' ' MET . 98.5 t -74.13 100.37 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 O-C-N 121.011 -1.056 . . . . 0.0 108.735 179.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -127.77 89.75 2.99 Favored 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 125.266 1.426 . . . . 0.0 108.946 178.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.7 t -92.85 159.86 15.18 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 124.604 1.19 . . . . 0.0 111.778 170.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.459 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -54.52 -16.27 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 C-N-CA 125.184 1.394 . . . . 0.0 113.773 169.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.459 ' N ' HD12 ' A' ' 10' ' ' ILE . 11.1 m -70.89 -15.68 62.63 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 125.992 1.717 . . . . 0.0 110.94 176.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 50.79 37.61 17.42 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.691 2.397 . . . . 0.0 113.072 -172.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.13 139.09 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 C-N-CA 127.523 2.329 . . . . 0.0 108.714 177.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -87.18 7.28 28.98 Favored 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 123.462 0.705 . . . . 0.0 112.457 169.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -58.15 149.08 24.72 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.549 1.54 . . . . 0.0 111.497 178.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -108.29 117.74 34.93 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-O 125.18 2.419 . . . . 0.0 111.657 171.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -75.0 175.36 8.22 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-N 109.35 -3.568 . . . . 0.0 108.077 167.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -57.92 -35.26 70.82 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.466 1.106 . . . . 0.0 113.347 174.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -122.19 132.73 54.6 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.109 1.763 . . . . 0.0 113.584 177.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.405 ' HE2' HG13 ' A' ' 7' ' ' VAL . 25.7 mtp -136.12 149.96 48.9 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.147 1.379 . . . . 0.0 112.383 170.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.457 HD13 HD13 ' A' ' 37' ' ' LEU . 3.5 mt -126.68 156.52 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 C-N-CA 125.868 1.667 . . . . 0.0 108.469 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -110.13 134.34 52.29 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.845 0.748 . . . . 0.0 111.189 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.5 t -64.56 130.08 42.29 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 123.848 0.859 . . . . 0.0 110.172 171.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -72.33 -18.21 61.78 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -89.54 -52.21 5.14 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -174.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.462 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 16.7 p -114.91 4.51 14.84 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 116.218 1.933 . . . . 0.0 116.218 -177.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.34 4.83 5.07 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 116.609 2.077 . . . . 0.0 116.609 177.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.462 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 26.8 p -76.32 150.48 36.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 120.31 -1.493 . . . . 0.0 112.185 -175.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 69.1 m95 -102.75 145.16 30.14 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 125.036 1.335 . . . . 0.0 113.821 -177.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.414 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 26.9 mp0 -142.86 159.7 41.74 Favored 'General case' 0 CA--C 1.493 -1.225 0 O-C-N 121.671 -0.643 . . . . 0.0 110.075 -178.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -72.11 118.82 15.45 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 169.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.27 -36.74 77.23 Favored Glycine 0 CA--C 1.522 0.478 0 C-N-CA 118.885 -1.626 . . . . 0.0 114.469 -176.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.0 p -67.48 -17.9 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.393 0.677 . . . . 0.0 112.062 -176.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.5 m -80.53 -30.38 37.16 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.741 1.616 . . . . 0.0 112.861 170.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.4 mmt -94.56 -7.88 39.8 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 127.501 2.32 . . . . 0.0 112.951 -176.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.19 26.44 48.25 Favored Glycine 0 C--N 1.344 1.001 0 C-N-CA 125.753 1.644 . . . . 0.0 114.394 -176.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.457 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -129.79 150.5 51.07 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 122.326 1.06 . . . . 0.0 110.254 178.695 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.21 167.96 17.59 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 128.951 2.9 . . . . 0.0 107.629 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.88 -25.04 55.96 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 170.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.8 -37.9 82.61 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 171.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -100.85 1.5 40.12 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -170.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.484 HG21 HG21 ' C' ' 3' ' ' THR . 93.3 t -54.64 112.79 4.36 Favored Pre-proline 0 N--CA 1.484 1.275 0 CA-C-N 120.695 1.589 . . . . 0.0 110.201 -169.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -76.01 167.61 25.73 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 122.43 2.086 . . . . 0.0 110.974 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.6 -36.52 73.58 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.427 -0.796 . . . . 0.0 109.009 173.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -129.28 82.68 2.09 Favored 'General case' 0 C--N 1.342 0.271 0 C-N-CA 125.206 1.402 . . . . 0.0 113.448 178.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.92 126.08 32.64 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.508 -1.224 . . . . 0.0 107.809 167.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.86 137.49 33.87 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 125.995 1.718 . . . . 0.0 111.246 169.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.1 p -93.32 148.84 21.69 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.251 -176.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.406 ' HA ' ' H ' ' A' ' 53' ' ' ASP . 7.1 p90 -40.66 -37.88 0.8 Allowed 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 117.786 2.513 . . . . 0.0 117.786 171.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.78 -30.96 48.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 O-C-N 120.601 -1.312 . . . . 0.0 111.633 173.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.8 m -93.83 -63.43 1.2 Allowed 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.816 2.046 . . . . 0.0 112.665 169.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -81.82 -30.79 32.02 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 -175.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.406 ' H ' ' HA ' ' A' ' 49' ' ' TYR . 32.4 t0 . . . . . 0 C--O 1.255 1.381 0 C-N-CA 126.637 1.975 . . . . 0.0 110.928 -168.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 2.247 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 17.9 ttm-85 47.67 -70.68 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 131.154 3.782 . . . . 0.0 118.652 -176.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . 0.484 HG21 HG21 ' A' ' 42' ' ' VAL 0.295 2.8 p 57.53 150.78 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 119.061 2.986 . . . . 0.0 119.061 -174.501 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.413 0 C-N-CA 125.725 1.61 . . . . 0.0 110.829 -176.496 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -139.88 146.41 39.27 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.231 1.413 . . . . 0.0 110.545 172.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 41.2 p -71.27 145.45 49.54 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.882 0.873 . . . . 0.0 112.812 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.08 157.3 38.04 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.715 0.806 . . . . 0.0 112.434 172.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' ARG . . . . . 0.791 HH12 ' N ' ' C' ' 12' ' ' NH2 . 8.2 ptm180 -151.07 152.61 33.67 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.561 1.544 . . . . 0.0 112.876 178.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -78.87 164.12 24.73 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.058 1.343 . . . . 0.0 112.68 172.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 19.4 m 62.42 175.87 0.14 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.413 1.885 . . . . 0.0 114.87 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 55.1 m -61.08 126.97 29.29 Favored 'General case' 0 C--O 1.252 1.204 0 C-N-CA 124.637 1.175 . . . . 0.0 111.164 175.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' NH2 . . . . . 0.791 ' N ' HH12 ' C' ' 8' ' ' ARG . . . . . . . . 0 C--N 1.251 -3.683 0 CA-C-N 118.915 0.779 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.107 0 N-CA-C 112.292 -0.323 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 29.3 p80 -68.08 -20.45 64.95 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -172.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -34.04 77.47 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -177.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 48.28 19.03 0.18 Allowed 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -169.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.272 0.0 OUTLIER 50.3 16.94 0.3 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 127.027 2.131 . . . . 0.0 114.979 -169.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.97 160.0 19.48 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.468 1.907 . . . . 0.0 113.32 -174.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -79.09 114.07 17.73 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.295 0.569 . . . . 0.0 110.15 169.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -134.33 163.28 30.0 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.782 2.033 . . . . 0.0 111.743 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -67.12 102.31 1.0 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.942 1.297 . . . . 0.0 108.047 176.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.4 t -133.53 107.8 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 125.135 1.374 . . . . 0.0 110.8 -169.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.423 HG13 ' HE2' ' A' ' 20' ' ' MET . 92.1 t -74.81 100.59 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 120.949 -1.094 . . . . 0.0 109.167 -178.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -128.69 90.02 2.98 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 125.381 1.472 . . . . 0.0 109.102 179.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.4 t -92.31 160.43 15.13 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 124.596 1.185 . . . . 0.0 112.012 170.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.453 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -54.96 -16.41 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 C-N-CA 125.056 1.343 . . . . 0.0 113.641 168.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.453 ' N ' HD12 ' A' ' 10' ' ' ILE . 10.1 m -71.49 -15.45 62.32 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 126.25 1.82 . . . . 0.0 110.937 176.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 50.72 38.02 18.25 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.731 2.412 . . . . 0.0 113.147 -172.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.52 138.75 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 127.275 2.23 . . . . 0.0 108.884 177.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -86.96 7.89 25.55 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 123.781 0.832 . . . . 0.0 112.369 169.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -61.0 149.28 37.25 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 126.737 2.015 . . . . 0.0 110.553 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.58 118.92 37.86 Favored 'General case' 0 N--CA 1.432 -1.368 0 CA-C-O 124.841 2.258 . . . . 0.0 113.133 173.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -74.59 175.72 7.57 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-N 109.82 -3.355 . . . . 0.0 109.092 167.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -58.12 -29.03 65.19 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.21 1.404 . . . . 0.0 113.985 171.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -128.93 133.47 47.86 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.307 1.443 . . . . 0.0 114.152 175.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.423 ' HE2' HG13 ' A' ' 7' ' ' VAL . 26.6 mtp -136.66 151.75 49.64 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.013 1.325 . . . . 0.0 112.794 169.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.464 HD13 HD13 ' A' ' 37' ' ' LEU . 3.4 mt -130.71 156.5 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 C-N-CA 125.857 1.663 . . . . 0.0 109.242 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -109.2 135.5 50.2 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.203 1.001 . . . . 0.0 111.099 178.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.4 t -65.36 131.92 47.68 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 124.549 1.14 . . . . 0.0 110.472 171.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -72.15 -18.57 61.87 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -91.06 -52.25 4.93 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -173.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.1 p -114.73 4.57 15.04 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 115.937 1.829 . . . . 0.0 115.937 -177.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.91 4.68 4.89 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 116.731 2.123 . . . . 0.0 116.731 178.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.41 ' SG ' ' NE2' ' A' ' 30' ' ' GLN . 26.7 p -75.8 150.41 37.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 120.035 -1.665 . . . . 0.0 112.129 -174.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.413 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 65.1 m95 -102.98 144.14 31.65 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 125.098 1.359 . . . . 0.0 113.757 -176.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.41 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.1 mp0 -142.84 160.66 39.91 Favored 'General case' 0 CA--C 1.497 -1.064 0 O-C-N 121.222 -0.924 . . . . 0.0 110.716 -177.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -72.03 118.55 15.04 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 169.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.8 -35.92 77.14 Favored Glycine 0 CA--C 1.521 0.409 0 C-N-CA 118.712 -1.708 . . . . 0.0 113.955 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.69 -18.48 23.85 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 C-N-CA 123.319 0.648 . . . . 0.0 112.248 -177.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 88.3 m -80.28 -29.39 38.27 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.735 1.614 . . . . 0.0 112.676 171.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.1 mmt -96.0 -7.42 36.44 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 127.553 2.341 . . . . 0.0 113.061 -175.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.71 27.26 47.45 Favored Glycine 0 C--N 1.343 0.971 0 C-N-CA 125.954 1.74 . . . . 0.0 114.445 -176.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.464 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -130.03 151.64 50.36 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 122.257 1.027 . . . . 0.0 110.587 178.277 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.68 167.01 19.49 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 129.469 3.108 . . . . 0.0 107.689 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.22 -25.16 58.64 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 171.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -67.02 -37.91 84.99 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 170.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -100.96 1.21 39.51 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -170.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.633 HG21 HG21 ' C' ' 3' ' ' THR . 71.6 t -54.23 113.39 5.04 Favored Pre-proline 0 N--CA 1.486 1.34 0 CA-C-N 121.009 1.731 . . . . 0.0 110.111 -169.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -79.32 165.09 23.71 Favored 'Trans proline' 0 N--CA 1.452 -0.959 0 C-N-CA 122.409 2.072 . . . . 0.0 111.553 178.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.7 mp0 -69.59 -33.85 73.28 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 124.017 0.927 . . . . 0.0 109.408 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -132.49 82.11 1.99 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.174 1.39 . . . . 0.0 114.045 175.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.27 125.39 32.2 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 167.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.57 137.92 33.96 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 126.307 1.843 . . . . 0.0 111.02 170.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.4 p -93.57 148.41 22.12 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-O 118.167 -0.92 . . . . 0.0 109.907 -176.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.414 ' HA ' ' H ' ' A' ' 53' ' ' ASP . 7.6 p90 -40.33 -38.17 0.77 Allowed 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 117.702 2.482 . . . . 0.0 117.702 170.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.69 -30.64 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 120.523 -1.36 . . . . 0.0 111.674 173.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 82.7 m -94.21 -62.88 1.26 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.297 1.839 . . . . 0.0 112.57 169.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -82.45 -30.5 29.98 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 117.281 2.326 . . . . 0.0 117.281 -175.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.414 ' H ' ' HA ' ' A' ' 49' ' ' TYR . 29.9 t0 . . . . . 0 C--O 1.256 1.405 0 C-N-CA 126.522 1.929 . . . . 0.0 110.877 -168.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.826 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -56.84 150.74 15.77 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 120.246 1.384 . . . . 0.0 110.853 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . 0.633 HG21 HG21 ' A' ' 42' ' ' VAL . 1.6 p -145.33 152.63 40.2 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.283 0 C-N-CA 125.565 1.546 . . . . 0.0 110.404 -174.483 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -130.9 23.44 4.96 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.165 0.986 . . . . 0.0 113.036 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 17.5 p 61.99 14.86 6.77 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 126.437 1.895 . . . . 0.0 115.706 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -146.98 164.15 33.9 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.531 1.532 . . . . 0.0 112.659 -176.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 56.44 33.78 23.08 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 126.221 1.808 . . . . 0.0 114.038 177.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 33.9 tttm -63.57 140.82 58.91 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.236 1.414 . . . . 0.0 111.575 177.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 79.6 p -71.83 162.87 28.8 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.8 1.24 . . . . 0.0 112.916 170.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 40.3 m -60.16 117.44 5.15 Favored 'General case' 0 C--O 1.254 1.326 0 C-N-CA 125.006 1.322 . . . . 0.0 112.243 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.253 -3.599 0 CA-C-N 118.5 0.591 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.051 0 N-CA-C 111.988 -0.445 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -73.41 -21.6 60.44 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -175.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -34.03 77.36 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -173.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 49.81 17.22 0.25 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 -169.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.283 0.0 OUTLIER 52.04 15.0 0.37 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 127.26 2.224 . . . . 0.0 114.98 -171.225 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -86.93 155.4 20.23 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.457 1.903 . . . . 0.0 112.899 -178.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -86.76 114.87 23.79 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.567 0.747 . . . . 0.0 110.315 169.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -123.05 158.34 30.8 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.078 1.751 . . . . 0.0 112.309 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -68.11 102.28 1.3 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.213 1.405 . . . . 0.0 107.767 173.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.9 t -133.34 108.33 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.161 1.384 . . . . 0.0 110.882 -169.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 81.6 t -74.27 100.68 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 121.065 -1.022 . . . . 0.0 108.548 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -128.39 89.61 2.93 Favored 'General case' 0 CA--C 1.513 -0.467 0 C-N-CA 125.632 1.573 . . . . 0.0 108.933 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.9 t -91.72 159.72 15.7 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.46 1.104 . . . . 0.0 111.98 170.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.472 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.4 pp -53.85 -17.26 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 125.03 1.332 . . . . 0.0 113.737 168.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.472 ' N ' HD12 ' A' ' 10' ' ' ILE . 9.6 m -69.6 -16.95 63.49 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 126.005 1.722 . . . . 0.0 110.819 175.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . 0.253 79.4 mm-40 48.31 41.17 15.84 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 129.163 2.985 . . . . 0.0 112.953 -173.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -125.98 140.7 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 128.396 2.678 . . . . 0.0 108.767 176.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -88.37 7.44 32.5 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.712 0.805 . . . . 0.0 112.976 170.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -60.77 152.21 27.56 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.58 1.552 . . . . 0.0 111.785 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.04 120.22 41.7 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 124.781 2.229 . . . . 0.0 111.094 169.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -74.49 -179.32 3.96 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 109.666 -3.425 . . . . 0.0 109.475 167.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -60.09 -21.95 62.14 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.671 1.188 . . . . 0.0 113.915 171.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -140.6 138.62 34.56 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.056 1.343 . . . . 0.0 113.573 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 20.9 mtp -138.84 151.16 46.77 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 125.508 1.523 . . . . 0.0 113.638 170.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.485 HD13 HD13 ' A' ' 37' ' ' LEU . 3.5 mt -129.59 157.48 42.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 C-N-CA 126.255 1.822 . . . . 0.0 108.888 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.451 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 24.1 tt0 -109.32 134.98 51.13 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.879 0.763 . . . . 0.0 111.524 177.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.9 t -65.46 129.85 41.22 Favored 'General case' 0 CA--C 1.515 -0.394 0 C-N-CA 123.821 0.848 . . . . 0.0 110.116 171.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -71.64 -18.18 62.22 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -90.04 -52.07 5.15 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -174.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.5 p -114.88 5.0 15.0 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 116.143 1.905 . . . . 0.0 116.143 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.96 4.45 4.8 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 177.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.422 ' SG ' ' NE2' ' A' ' 30' ' ' GLN . 26.7 p -76.03 151.0 37.27 Favored 'General case' 0 C--O 1.221 -0.427 0 O-C-N 120.299 -1.501 . . . . 0.0 112.034 -175.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.451 ' CE2' ' HB2' ' A' ' 22' ' ' GLN . 70.8 m95 -103.7 144.39 31.52 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 125.027 1.331 . . . . 0.0 113.898 -176.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.422 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.2 mp0 -142.95 159.72 41.7 Favored 'General case' 0 CA--C 1.492 -1.271 0 O-C-N 121.615 -0.678 . . . . 0.0 110.244 -177.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -71.34 118.17 13.81 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 168.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -56.93 -36.52 73.77 Favored Glycine 0 C--O 1.228 -0.238 0 C-N-CA 118.798 -1.667 . . . . 0.0 113.975 -177.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.9 p -67.54 -19.03 24.7 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 O-C-N 122.113 -0.64 . . . . 0.0 112.074 -176.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.7 m -80.64 -30.15 36.69 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.781 1.632 . . . . 0.0 112.651 172.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.0 mmt -94.69 -6.9 42.19 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.386 2.274 . . . . 0.0 112.818 -177.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.43 27.29 48.56 Favored Glycine 0 C--N 1.343 0.938 0 C-N-CA 126.465 1.983 . . . . 0.0 114.578 -177.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.485 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -130.04 151.71 50.29 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 122.297 1.046 . . . . 0.0 110.423 178.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.59 167.87 18.02 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 129.458 3.103 . . . . 0.0 107.765 179.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.45 -24.34 55.11 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 170.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -68.19 -38.28 81.82 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 171.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -99.82 1.75 43.32 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -170.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.528 HG21 HG21 ' C' ' 3' ' ' THR . 93.0 t -54.6 112.77 4.33 Favored Pre-proline 0 N--CA 1.482 1.145 0 CA-C-N 120.38 1.445 . . . . 0.0 110.599 -169.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -77.26 164.16 29.4 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 122.37 2.046 . . . . 0.0 111.047 175.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.9 mp0 -67.12 -37.25 83.54 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.138 0.975 . . . . 0.0 108.879 175.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -130.34 82.18 2.05 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 125.573 1.549 . . . . 0.0 113.819 177.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.01 127.39 33.85 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.631 -1.168 . . . . 0.0 107.992 167.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.6 137.38 35.77 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 126.374 1.87 . . . . 0.0 111.298 170.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.0 p -93.62 148.72 21.84 Favored 'General case' 0 C--O 1.211 -0.973 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.349 -176.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.408 ' HA ' ' H ' ' A' ' 53' ' ' ASP . 6.7 p90 -40.61 -38.0 0.81 Allowed 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 117.649 2.463 . . . . 0.0 117.649 170.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.93 -30.61 47.82 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 O-C-N 120.278 -1.514 . . . . 0.0 111.656 173.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 82.0 m -94.45 -62.92 1.24 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.503 1.921 . . . . 0.0 112.671 169.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -82.0 -30.59 31.48 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 117.264 2.32 . . . . 0.0 117.264 -175.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.408 ' H ' ' HA ' ' A' ' 49' ' ' TYR . 29.5 t0 . . . . . 0 C--O 1.255 1.365 0 C-N-CA 126.515 1.926 . . . . 0.0 111.029 -168.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.316 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . 0.267 15.4 ttm-85 49.28 -71.76 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 131.032 3.733 . . . . 0.0 118.572 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . 0.528 HG21 HG21 ' A' ' 42' ' ' VAL 0.289 8.2 p 57.66 148.71 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 128.818 2.847 . . . . 0.0 118.119 -171.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.717 0 N-CA-C 118.71 2.856 . . . . 0.0 118.71 -169.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 61.95 -85.97 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.621 1.101 . . . . 0.0 111.504 -168.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 76.1 p -142.2 145.53 34.23 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.905 1.682 . . . . 0.0 112.234 173.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.35 -41.24 28.33 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.723 0.809 . . . . 0.0 111.539 169.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -68.65 149.18 49.42 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.673 1.189 . . . . 0.0 111.065 169.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -74.6 155.77 37.49 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.412 1.085 . . . . 0.0 112.006 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 29.0 t -66.8 146.6 54.26 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.762 0.825 . . . . 0.0 111.851 174.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 13.6 t -154.08 -40.29 0.09 Allowed 'General case' 0 C--O 1.254 1.332 0 C-N-CA 126.012 1.725 . . . . 0.0 112.171 -176.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.255 -3.541 0 CA-C-N 119.575 1.08 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.942 0 N-CA-C 112.098 -0.401 . . . . 0.0 112.098 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -84.95 -61.02 1.88 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.618 0.767 . . . . 0.0 112.416 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -34.57 38.46 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -176.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 49.95 11.3 0.06 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 117.631 2.456 . . . . 0.0 117.631 -172.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.268 0.0 OUTLIER 53.17 15.96 0.71 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 127.34 2.256 . . . . 0.0 115.659 175.355 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -85.75 158.95 19.89 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.598 1.559 . . . . 0.0 113.8 -170.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -80.25 114.96 19.53 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.787 0.835 . . . . 0.0 110.113 169.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -120.74 159.68 24.9 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.173 1.789 . . . . 0.0 112.437 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -67.15 102.64 1.06 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.573 1.549 . . . . 0.0 107.823 173.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.4 t -133.16 109.02 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.907 1.283 . . . . 0.0 110.692 -169.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 99.4 t -74.73 101.31 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 120.966 -1.084 . . . . 0.0 108.777 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -128.55 89.57 2.92 Favored 'General case' 0 CA--C 1.511 -0.532 0 C-N-CA 124.872 1.269 . . . . 0.0 109.089 178.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.0 t -92.64 159.86 15.26 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 124.727 1.267 . . . . 0.0 111.754 170.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.459 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -54.89 -16.23 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 C-N-CA 125.376 1.47 . . . . 0.0 113.497 169.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.459 ' N ' HD12 ' A' ' 10' ' ' ILE . 10.2 m -70.97 -15.91 62.61 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 126.226 1.81 . . . . 0.0 110.723 177.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 50.69 37.72 17.34 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 127.408 2.283 . . . . 0.0 113.07 -172.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.24 139.18 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 127.518 2.327 . . . . 0.0 108.675 177.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -87.06 7.59 27.17 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 123.627 0.771 . . . . 0.0 112.498 169.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -58.31 148.94 25.83 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.882 1.673 . . . . 0.0 111.444 178.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -108.28 117.79 35.08 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 125.299 2.476 . . . . 0.0 111.832 172.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -74.95 174.48 9.24 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 109.518 -3.492 . . . . 0.0 108.723 167.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -58.47 -29.57 66.3 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.49 1.116 . . . . 0.0 113.512 173.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -127.57 132.19 49.88 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.785 1.634 . . . . 0.0 113.143 177.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.5 mtp -135.71 149.65 49.3 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.956 1.302 . . . . 0.0 112.424 169.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.452 HD13 HD13 ' A' ' 37' ' ' LEU . 3.4 mt -126.62 155.92 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 C-N-CA 125.838 1.655 . . . . 0.0 108.813 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.414 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 22.7 tt0 -109.44 134.52 51.76 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.834 0.743 . . . . 0.0 111.158 178.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.4 t -64.95 131.25 46.14 Favored 'General case' 0 CA--C 1.518 -0.25 0 C-N-CA 123.835 0.854 . . . . 0.0 110.337 172.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -72.05 -19.35 61.85 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -89.68 -51.88 5.29 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -173.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.1 p -114.91 4.27 14.77 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 116.104 1.89 . . . . 0.0 116.104 -178.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.52 5.16 5.02 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 178.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.418 ' SG ' ' NE2' ' A' ' 30' ' ' GLN . 27.5 p -76.38 150.26 36.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 120.311 -1.493 . . . . 0.0 112.207 -175.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.414 ' CE2' ' HB2' ' A' ' 22' ' ' GLN . 66.7 m95 -103.19 144.39 31.39 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.244 1.418 . . . . 0.0 113.628 -175.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.418 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 26.9 mp0 -142.96 159.33 42.44 Favored 'General case' 0 CA--C 1.493 -1.227 0 O-C-N 121.526 -0.734 . . . . 0.0 109.942 -177.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -71.78 119.06 15.41 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 106.587 -1.635 . . . . 0.0 106.587 169.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.71 -36.09 77.26 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 118.946 -1.597 . . . . 0.0 114.581 -176.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.88 -18.16 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 123.204 0.602 . . . . 0.0 112.267 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.0 m -79.93 -29.21 39.69 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.723 1.609 . . . . 0.0 112.98 170.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.5 mmt -96.98 -7.41 33.13 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.485 2.314 . . . . 0.0 113.241 -175.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.47 24.18 47.89 Favored Glycine 0 C--N 1.343 0.93 0 C-N-CA 126.017 1.77 . . . . 0.0 114.945 -177.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.452 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -129.92 150.42 51.21 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.389 1.076 . . . . 0.0 109.698 -178.207 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.0 mt -128.67 168.09 16.29 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 129.618 3.167 . . . . 0.0 107.231 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.24 -26.18 50.45 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 170.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -68.8 -38.97 80.31 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 171.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -95.85 -0.19 51.38 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -171.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.45 HG21 HG21 ' C' ' 3' ' ' THR . 98.5 t -54.52 112.43 3.95 Favored Pre-proline 0 N--CA 1.482 1.152 0 CA-C-N 120.384 1.447 . . . . 0.0 110.366 -169.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -76.0 167.59 25.8 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 122.457 2.104 . . . . 0.0 110.871 176.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.93 -36.84 72.8 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.275 -0.89 . . . . 0.0 108.749 174.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -128.26 81.2 2.01 Favored 'General case' 0 C--N 1.343 0.297 0 C-N-CA 124.87 1.268 . . . . 0.0 113.485 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.86 125.31 31.86 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 167.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.6 p -95.19 140.12 30.55 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 125.811 1.644 . . . . 0.0 110.118 169.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.5 p -94.09 147.5 23.08 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-O 117.729 -1.129 . . . . 0.0 110.282 -177.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -37.64 -38.19 0.26 Allowed 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 117.187 2.292 . . . . 0.0 117.187 169.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.6 t -61.54 -29.43 46.06 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 O-C-N 120.175 -1.578 . . . . 0.0 111.891 173.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 68.6 m -97.53 -61.6 1.37 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 127.181 2.192 . . . . 0.0 113.319 169.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -73.72 -36.85 65.25 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -177.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.5 t0 . . . . . 0 N--CA 1.488 1.451 0 C-N-CA 126.813 2.045 . . . . 0.0 113.894 -171.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.348 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . 0.271 7.4 ttt180 45.24 -70.55 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.125 0 C-N-CA 131.595 3.958 . . . . 0.0 118.843 -175.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . 0.452 HG23 HG23 ' A' ' 21' ' ' ILE 0.305 2.8 p 58.65 149.36 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 119.274 3.064 . . . . 0.0 119.274 -175.688 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.426 0 C-N-CA 125.702 1.601 . . . . 0.0 110.67 -176.267 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -139.49 150.2 44.86 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.256 1.422 . . . . 0.0 110.753 171.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 57.8 p -74.14 -16.74 60.99 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 174.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -148.23 155.43 41.35 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.998 1.719 . . . . 0.0 111.381 173.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -77.15 157.81 30.76 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.593 1.157 . . . . 0.0 111.963 175.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.03 154.21 41.74 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.282 1.033 . . . . 0.0 112.074 173.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 80.1 p -78.27 -13.04 60.02 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.775 1.23 . . . . 0.0 114.097 174.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 39.6 p -64.59 132.68 50.48 Favored 'General case' 0 C--O 1.254 1.32 0 C-N-CA 126.211 1.804 . . . . 0.0 113.67 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.252 -3.638 0 CA-C-N 117.965 0.348 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.043 0 N-CA-C 112.202 -0.359 . . . . 0.0 112.202 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -68.02 -20.16 64.97 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -172.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.9 -33.14 75.32 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -178.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 53.2 11.83 0.27 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 116.262 1.949 . . . . 0.0 116.262 -169.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.28 0.0 OUTLIER 55.28 13.64 0.91 Allowed 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 127.861 2.464 . . . . 0.0 115.316 178.848 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -86.64 153.86 21.45 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.594 1.958 . . . . 0.0 112.615 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -83.57 114.6 21.64 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.459 0.704 . . . . 0.0 110.598 169.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -121.97 157.7 30.71 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 126.334 1.853 . . . . 0.0 112.461 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -67.4 102.44 1.11 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.244 1.418 . . . . 0.0 107.536 172.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.8 t -133.13 108.7 13.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.916 1.286 . . . . 0.0 110.649 -168.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.427 HG13 ' HE2' ' A' ' 20' ' ' MET . 99.1 t -74.51 101.53 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 O-C-N 120.904 -1.123 . . . . 0.0 109.011 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -129.02 89.93 2.95 Favored 'General case' 0 CA--C 1.51 -0.59 0 C-N-CA 125.427 1.491 . . . . 0.0 109.047 178.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.7 t -91.54 160.24 15.51 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 124.393 1.058 . . . . 0.0 111.77 170.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.462 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -54.34 -16.78 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 C-N-CA 125.2 1.4 . . . . 0.0 113.443 168.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.462 ' N ' HD12 ' A' ' 10' ' ' ILE . 10.4 m -70.32 -16.81 63.04 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 125.98 1.712 . . . . 0.0 110.591 176.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . 0.258 79.4 mm-40 49.07 40.37 17.15 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 128.981 2.912 . . . . 0.0 113.083 -173.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.5 p -125.79 141.47 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 C-N-CA 128.545 2.738 . . . . 0.0 108.457 176.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -89.07 7.73 33.48 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 124.003 0.921 . . . . 0.0 112.734 170.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.87 148.71 33.8 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.912 2.085 . . . . 0.0 110.674 179.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.5 118.57 36.96 Favored 'General case' 0 N--CA 1.435 -1.19 0 CA-C-O 124.89 2.281 . . . . 0.0 113.278 173.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -74.75 174.02 9.72 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 109.954 -3.293 . . . . 0.0 108.139 167.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -69.19 -10.99 60.39 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 120.653 -1.279 . . . . 0.0 114.352 174.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -134.73 132.23 38.55 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.72 1.208 . . . . 0.0 112.93 169.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.427 ' HE2' HG13 ' A' ' 7' ' ' VAL . 27.6 mtp -136.88 151.8 49.5 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.106 1.362 . . . . 0.0 112.401 169.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.475 HD13 HD13 ' A' ' 37' ' ' LEU . 3.4 mt -129.99 157.79 42.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 125.9 1.68 . . . . 0.0 108.874 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -110.14 135.7 50.52 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.105 0.962 . . . . 0.0 111.21 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.7 t -65.64 132.07 47.92 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 124.509 1.123 . . . . 0.0 110.662 171.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -72.8 -18.23 61.5 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -91.05 -52.12 5.0 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -174.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.6 p -114.58 4.67 15.22 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 116.099 1.889 . . . . 0.0 116.099 -178.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.4 5.42 5.14 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 116.817 2.154 . . . . 0.0 116.817 178.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.418 ' SG ' ' NE2' ' A' ' 30' ' ' GLN . 27.4 p -76.17 150.19 37.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 119.943 -1.723 . . . . 0.0 112.005 -175.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.414 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 65.4 m95 -102.63 144.87 30.48 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 125.542 1.537 . . . . 0.0 114.065 -176.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.418 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.1 mp0 -143.85 160.06 41.45 Favored 'General case' 0 CA--C 1.496 -1.13 0 O-C-N 121.479 -0.763 . . . . 0.0 110.722 -176.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -71.92 118.07 14.32 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 169.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.18 -35.35 77.21 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 118.613 -1.756 . . . . 0.0 114.172 -176.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.9 -18.1 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.19 0.596 . . . . 0.0 112.198 -177.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 89.8 m -80.66 -30.19 36.57 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.654 1.581 . . . . 0.0 112.686 170.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.4 mmt -94.57 -7.71 40.28 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 127.258 2.223 . . . . 0.0 113.117 -176.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.0 27.51 45.18 Favored Glycine 0 C--N 1.344 0.994 0 C-N-CA 125.894 1.711 . . . . 0.0 114.249 -176.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.475 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -129.87 151.35 50.53 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 122.388 1.09 . . . . 0.0 110.594 178.157 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.48 166.63 20.12 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 129.251 3.02 . . . . 0.0 107.757 178.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.72 -24.86 52.49 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 170.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -67.27 -37.93 84.26 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 170.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -100.75 1.45 40.34 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -170.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.632 HG21 HG21 ' C' ' 3' ' ' THR . 69.4 t -54.33 112.79 4.27 Favored Pre-proline 0 N--CA 1.487 1.418 0 CA-C-N 120.879 1.672 . . . . 0.0 110.33 -169.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -77.64 168.16 22.96 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 122.418 2.079 . . . . 0.0 111.457 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.74 -32.11 63.68 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.297 -0.877 . . . . 0.0 109.586 174.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -131.06 81.07 1.97 Allowed 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 114.247 1.202 . . . . 0.0 114.247 175.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.406 ' CD1' HD11 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -84.11 124.79 31.5 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 167.499 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 p -95.56 139.75 31.38 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 125.814 1.646 . . . . 0.0 110.304 169.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.4 p -93.9 147.11 23.39 Favored 'General case' 0 C--O 1.209 -1.067 0 CA-C-O 117.698 -1.144 . . . . 0.0 110.478 -177.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -36.98 -38.91 0.2 Allowed 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 117.182 2.29 . . . . 0.0 117.182 169.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.6 t -61.22 -29.74 46.45 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 O-C-N 120.198 -1.564 . . . . 0.0 111.939 173.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 68.5 m -97.22 -61.95 1.33 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 127.482 2.313 . . . . 0.0 113.223 169.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -73.81 -36.08 64.94 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 -177.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.6 t0 . . . . . 0 N--CA 1.489 1.492 0 C-N-CA 126.514 1.926 . . . . 0.0 114.18 -172.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.684 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -59.23 150.88 24.44 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-N 120.432 1.469 . . . . 0.0 110.605 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . 0.632 HG21 HG21 ' A' ' 42' ' ' VAL . 1.3 p -145.33 154.3 42.18 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.395 0 C-N-CA 125.546 1.538 . . . . 0.0 110.462 -174.721 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -137.91 142.19 40.62 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.983 1.313 . . . . 0.0 111.041 175.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 74.9 m -85.76 -45.72 11.36 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -171.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.45 174.08 9.22 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.009 0.924 . . . . 0.0 112.017 171.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 40.6 mtm-85 66.37 -46.91 0.43 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 128.849 2.86 . . . . 0.0 115.245 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt 52.78 36.25 20.82 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 127.211 2.204 . . . . 0.0 114.486 171.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 23.3 t -152.95 150.29 29.09 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.384 1.474 . . . . 0.0 111.969 -178.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 35.9 p -70.59 130.24 41.29 Favored 'General case' 0 C--O 1.256 1.433 0 C-N-CA 125.73 1.612 . . . . 0.0 113.652 -178.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.254 -3.58 0 CA-C-N 118.126 0.421 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.887 0 N-CA-C 112.339 -0.304 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -78.63 60.43 2.71 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.472 1.509 . . . . 0.0 113.118 -175.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 22.9 ptt? -66.62 -34.3 77.57 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.43 1.27 . . . . 0.0 114.43 -176.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 50.78 11.02 0.08 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.85 2.46 . . . . 0.0 117.157 -169.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.279 0.0 OUTLIER 56.23 9.74 0.54 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 128.062 2.545 . . . . 0.0 115.397 175.243 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -87.13 153.8 21.23 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.865 2.066 . . . . 0.0 113.014 179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -88.9 119.82 29.76 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.851 0.86 . . . . 0.0 109.287 168.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -120.15 155.92 32.11 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 126.177 1.791 . . . . 0.0 112.504 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.96 103.03 1.72 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.68 1.592 . . . . 0.0 107.399 173.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.8 t -133.69 109.04 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.617 1.167 . . . . 0.0 111.106 -169.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.9 t -74.55 100.97 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-O 122.231 1.015 . . . . 0.0 108.899 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -128.16 89.7 2.96 Favored 'General case' 0 CA--C 1.508 -0.648 0 C-N-CA 125.135 1.374 . . . . 0.0 109.011 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.4 t -92.39 159.94 15.33 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 124.618 1.199 . . . . 0.0 111.731 170.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.462 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -54.7 -16.38 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 C-N-CA 125.19 1.396 . . . . 0.0 113.679 168.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.462 ' N ' HD12 ' A' ' 10' ' ' ILE . 9.5 m -71.06 -15.46 62.54 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.044 1.737 . . . . 0.0 111.013 176.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 50.66 37.88 17.63 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.553 2.341 . . . . 0.0 112.929 -172.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.61 138.79 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 127.357 2.263 . . . . 0.0 108.82 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -86.63 7.48 26.25 Favored 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 123.482 0.713 . . . . 0.0 112.422 169.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -58.08 148.79 25.29 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.557 1.543 . . . . 0.0 111.646 178.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -108.24 118.71 37.47 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-O 125.441 2.543 . . . . 0.0 111.632 171.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -74.6 178.56 5.27 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 109.45 -3.523 . . . . 0.0 108.785 167.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -57.82 -37.04 73.1 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.748 1.619 . . . . 0.0 113.681 170.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -124.08 132.46 53.67 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.196 1.798 . . . . 0.0 113.612 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.1 mtp -136.04 149.04 48.63 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.078 1.351 . . . . 0.0 112.379 169.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.454 HD13 HD13 ' A' ' 37' ' ' LEU . 3.4 mt -125.63 156.35 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 C-N-CA 125.879 1.671 . . . . 0.0 108.736 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.408 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 22.2 tt0 -109.64 134.73 51.61 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.921 0.782 . . . . 0.0 111.176 177.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.6 t -65.12 130.59 43.92 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 124.152 0.981 . . . . 0.0 110.112 171.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -72.41 -18.33 61.73 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -90.07 -52.0 5.18 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -174.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.4 p -114.97 4.93 14.89 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 116.186 1.921 . . . . 0.0 116.186 -178.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.39 4.23 4.53 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 116.555 2.058 . . . . 0.0 116.555 178.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.424 ' SG ' ' NE2' ' A' ' 30' ' ' GLN . 27.3 p -75.53 149.85 38.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 119.778 -1.826 . . . . 0.0 112.13 -174.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.408 ' CE2' ' HB2' ' A' ' 22' ' ' GLN . 67.5 m95 -102.84 144.8 30.7 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 124.964 1.306 . . . . 0.0 113.714 -176.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.424 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.0 mp0 -143.07 159.54 42.08 Favored 'General case' 0 CA--C 1.495 -1.144 0 O-C-N 121.735 -0.603 . . . . 0.0 110.002 -177.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -71.78 119.47 15.99 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 169.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -58.09 -36.57 82.37 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 118.891 -1.623 . . . . 0.0 114.732 -176.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.15 -18.82 24.7 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 C-N-CA 123.245 0.618 . . . . 0.0 112.159 -177.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 94.1 m -79.71 -29.98 40.86 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.782 1.633 . . . . 0.0 112.762 171.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.3 mmt -95.23 -7.67 38.33 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.543 2.337 . . . . 0.0 113.047 -176.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.95 26.58 48.72 Favored Glycine 0 C--N 1.341 0.849 0 C-N-CA 125.89 1.71 . . . . 0.0 114.33 -176.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.454 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -129.68 150.58 50.94 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 122.369 1.08 . . . . 0.0 110.17 178.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.39 166.57 20.18 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 129.002 2.921 . . . . 0.0 107.875 179.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.74 -24.24 48.45 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 170.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -68.25 -38.06 81.41 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 169.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -100.71 1.32 40.34 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.504 1.668 . . . . 0.0 115.504 -170.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.509 HG21 HG21 ' C' ' 3' ' ' THR . 83.3 t -54.38 112.82 4.31 Favored Pre-proline 0 N--CA 1.486 1.344 0 CA-C-N 120.632 1.56 . . . . 0.0 110.337 -169.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -76.25 167.75 25.24 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 122.392 2.061 . . . . 0.0 110.81 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.24 -36.22 71.73 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.334 -0.854 . . . . 0.0 108.84 174.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -128.55 81.87 2.05 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 125.14 1.376 . . . . 0.0 113.593 178.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.86 126.12 32.65 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 167.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.25 137.92 33.66 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 126.13 1.772 . . . . 0.0 111.166 169.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.5 p -93.6 148.78 21.78 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.029 -176.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.412 ' HA ' ' H ' ' A' ' 53' ' ' ASP . 6.8 p90 -40.61 -37.76 0.77 Allowed 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 117.8 2.518 . . . . 0.0 117.8 170.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.21 -29.92 46.8 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 O-C-N 120.419 -1.425 . . . . 0.0 111.736 173.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 80.5 m -94.93 -63.37 1.18 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.872 2.069 . . . . 0.0 112.454 169.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -82.05 -30.72 31.25 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 117.204 2.298 . . . . 0.0 117.204 -175.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.412 ' H ' ' HA ' ' A' ' 49' ' ' TYR . 29.7 t0 . . . . . 0 C--O 1.258 1.501 0 C-N-CA 126.824 2.05 . . . . 0.0 110.917 -168.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.444 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . 0.251 18.0 ttm-85 46.81 -70.22 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.054 0 C-N-CA 131.422 3.889 . . . . 0.0 118.698 -175.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . 0.509 HG21 HG21 ' A' ' 42' ' ' VAL 0.3 2.5 p 57.59 150.43 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 119.39 3.108 . . . . 0.0 119.39 -174.42 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.345 0 C-N-CA 125.785 1.634 . . . . 0.0 110.28 -177.627 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -142.83 147.74 35.94 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.359 1.464 . . . . 0.0 110.872 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 73.8 p -79.63 43.82 0.59 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.126 1.37 . . . . 0.0 112.941 174.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . 57.46 -175.39 0.07 Allowed 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 127.109 2.164 . . . . 0.0 114.286 -170.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -133.26 154.82 50.33 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.149 1.78 . . . . 0.0 111.73 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -66.76 160.65 25.37 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.649 1.179 . . . . 0.0 113.48 177.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 89.8 p -151.52 161.2 43.1 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.589 1.556 . . . . 0.0 112.221 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 83.7 m -77.26 123.06 25.95 Favored 'General case' 0 C--O 1.255 1.357 0 C-N-CA 124.886 1.275 . . . . 0.0 111.644 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.254 -3.583 0 CA-C-N 118.656 0.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.901 0 N-CA-C 111.888 -0.485 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -78.0 -19.91 53.55 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -174.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -33.99 77.31 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 -171.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 51.39 10.89 0.1 Allowed 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 116.486 2.032 . . . . 0.0 116.486 -169.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.275 0.0 OUTLIER 55.16 15.9 1.42 Allowed 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 128.371 2.668 . . . . 0.0 114.762 -178.503 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -129.59 147.4 51.39 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.796 2.038 . . . . 0.0 112.892 -171.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -92.03 114.04 26.47 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.658 0.783 . . . . 0.0 110.223 169.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -124.13 159.68 29.49 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.22 1.808 . . . . 0.0 112.343 178.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -68.8 102.62 1.58 Allowed 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 174.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.1 t -133.81 108.59 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.546 1.139 . . . . 0.0 110.787 -169.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.404 HG13 ' HE2' ' A' ' 20' ' ' MET . 92.2 t -74.35 102.17 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 120.843 -1.161 . . . . 0.0 108.563 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -129.57 89.56 2.85 Favored 'General case' 0 CA--C 1.511 -0.526 0 C-N-CA 125.045 1.338 . . . . 0.0 108.673 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.8 t -91.61 159.38 15.92 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 124.732 1.27 . . . . 0.0 111.828 170.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.465 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -53.74 -16.93 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 C-N-CA 125.357 1.463 . . . . 0.0 113.705 169.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.465 ' N ' HD12 ' A' ' 10' ' ' ILE . 12.6 m -69.79 -16.92 63.37 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 125.787 1.635 . . . . 0.0 110.817 175.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 49.02 40.49 17.22 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 128.99 2.916 . . . . 0.0 112.747 -173.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.6 p -125.94 141.16 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 C-N-CA 128.516 2.726 . . . . 0.0 108.53 176.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -88.26 7.54 31.61 Favored 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 123.661 0.784 . . . . 0.0 112.745 169.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -57.66 147.61 26.98 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.728 1.611 . . . . 0.0 111.094 178.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -108.8 117.85 35.27 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-O 125.246 2.45 . . . . 0.0 111.61 172.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -74.74 176.44 7.01 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 109.352 -3.567 . . . . 0.0 108.799 167.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -58.64 -35.43 72.5 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.756 1.222 . . . . 0.0 113.579 171.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -122.38 132.42 54.37 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.912 1.685 . . . . 0.0 113.767 177.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.404 ' HE2' HG13 ' A' ' 7' ' ' VAL . 26.8 mtp -136.3 149.63 48.52 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.142 1.377 . . . . 0.0 112.5 169.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.456 HD13 HD13 ' A' ' 37' ' ' LEU . 3.4 mt -126.47 155.73 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 C-N-CA 125.81 1.644 . . . . 0.0 108.722 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.433 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 22.1 tt0 -108.7 134.4 51.48 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.811 0.732 . . . . 0.0 111.12 177.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.7 t -65.03 131.09 45.66 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 123.942 0.897 . . . . 0.0 110.038 172.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -72.7 -18.13 61.56 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 178.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -90.21 -51.93 5.2 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -174.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 16.4 p -115.07 4.65 14.72 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 -178.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.57 4.92 4.92 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 116.429 2.011 . . . . 0.0 116.429 178.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 27.4 p -75.88 150.37 37.61 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 120.028 -1.67 . . . . 0.0 112.287 -175.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.433 ' CE2' ' HB2' ' A' ' 22' ' ' GLN . 67.1 m95 -102.67 144.36 31.15 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 125.022 1.329 . . . . 0.0 113.821 -176.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.424 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.1 mp0 -142.43 159.9 41.33 Favored 'General case' 0 CA--C 1.491 -1.32 0 O-C-N 121.493 -0.755 . . . . 0.0 110.439 -178.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -72.26 118.53 15.26 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 106.56 -1.645 . . . . 0.0 106.56 169.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.61 -36.81 80.01 Favored Glycine 0 N--CA 1.46 0.236 0 C-N-CA 118.836 -1.649 . . . . 0.0 114.554 -176.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.71 -18.83 24.78 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 C-N-CA 123.337 0.655 . . . . 0.0 112.351 -177.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 92.5 m -79.91 -30.8 40.15 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.68 1.592 . . . . 0.0 112.959 170.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.5 mmt -93.49 -7.91 42.99 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.358 2.263 . . . . 0.0 113.204 -176.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.54 26.38 46.99 Favored Glycine 0 C--N 1.342 0.884 0 C-N-CA 125.876 1.703 . . . . 0.0 114.336 -176.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.456 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -130.13 150.4 51.41 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.188 0.995 . . . . 0.0 110.276 179.339 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.02 167.88 17.58 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 129.053 2.941 . . . . 0.0 107.658 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.16 -24.85 57.19 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 170.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.73 -38.28 83.33 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 170.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -100.2 1.49 41.99 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 115.528 1.677 . . . . 0.0 115.528 -171.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.473 HG21 HG21 ' C' ' 3' ' ' THR . 92.3 t -54.51 112.75 4.28 Favored Pre-proline 0 N--CA 1.485 1.298 0 CA-C-N 120.601 1.546 . . . . 0.0 110.142 -169.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -75.6 168.03 25.24 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 122.352 2.035 . . . . 0.0 110.961 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -70.72 -37.12 73.5 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 173.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -128.55 82.44 2.09 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 125.224 1.41 . . . . 0.0 113.604 178.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.97 125.75 32.35 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 114.664 -1.153 . . . . 0.0 108.074 167.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.14 137.6 33.98 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 126.089 1.756 . . . . 0.0 111.209 170.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.5 p -93.7 148.74 21.83 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-O 118.393 -0.813 . . . . 0.0 110.131 -176.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.411 ' HA ' ' H ' ' A' ' 53' ' ' ASP . 6.3 p90 -40.61 -37.47 0.73 Allowed 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 117.729 2.492 . . . . 0.0 117.729 170.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.6 t -61.62 -30.61 48.62 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 CA-C-N 120.266 1.394 . . . . 0.0 111.608 173.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.4 m -93.91 -62.89 1.27 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.402 1.881 . . . . 0.0 112.523 169.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -82.24 -30.86 30.49 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 117.102 2.26 . . . . 0.0 117.102 -175.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.411 ' H ' ' HA ' ' A' ' 49' ' ' TYR . 31.5 t0 . . . . . 0 C--O 1.256 1.406 0 C-N-CA 126.58 1.952 . . . . 0.0 110.943 -168.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.359 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . 0.265 1.6 ttt85 43.73 -70.27 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 131.417 3.887 . . . . 0.0 118.729 -174.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . 0.473 HG21 HG21 ' A' ' 42' ' ' VAL 0.306 2.6 p 58.54 151.15 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 119.381 3.104 . . . . 0.0 119.381 -174.599 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.406 0 C-N-CA 125.829 1.652 . . . . 0.0 110.133 -177.539 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -141.66 149.55 40.76 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.037 1.335 . . . . 0.0 111.785 177.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 8.8 t -151.97 147.4 26.5 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.163 0.985 . . . . 0.0 112.334 170.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.38 -15.59 25.52 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.299 1.04 . . . . 0.0 113.56 170.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 -139.05 -13.43 1.2 Allowed 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 116.218 1.932 . . . . 0.0 116.218 -169.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt 53.85 39.5 30.45 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.324 1.45 . . . . 0.0 112.13 -169.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 56.7 p -73.33 159.48 33.29 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.131 1.372 . . . . 0.0 113.115 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 22.7 m 56.97 -99.49 0.1 Allowed 'General case' 0 C--O 1.254 1.313 0 C-N-CA 127.328 2.251 . . . . 0.0 113.352 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.254 -3.551 0 CA-C-N 121.151 1.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.987 0 N-CA-C 111.969 -0.453 . . . . 0.0 111.969 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -60.96 -17.9 54.19 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 115.695 1.739 . . . . 0.0 115.695 -169.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -33.87 76.7 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 175.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 50.54 14.37 0.16 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -169.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.75 9.28 1.11 Allowed 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 128.876 2.87 . . . . 0.0 114.5 -168.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -87.43 156.73 19.44 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.365 1.866 . . . . 0.0 113.607 -175.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -92.24 116.27 28.81 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.158 0.983 . . . . 0.0 109.885 169.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -119.15 104.4 10.4 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 122.668 1.223 . . . . 0.0 112.913 -177.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -67.76 103.7 1.48 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 128.05 2.54 . . . . 0.0 108.606 169.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.6 t -130.65 106.82 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.712 1.205 . . . . 0.0 110.944 -169.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.415 HG13 ' HE2' ' A' ' 20' ' ' MET . 98.6 t -74.9 101.47 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 O-C-N 120.866 -1.146 . . . . 0.0 109.128 -178.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -129.34 89.66 2.88 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 125.485 1.514 . . . . 0.0 109.109 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 39.8 t -91.33 159.91 15.76 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 124.529 1.143 . . . . 0.0 111.972 170.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.459 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -54.37 -16.72 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 125.159 1.384 . . . . 0.0 113.651 168.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.459 ' N ' HD12 ' A' ' 10' ' ' ILE . 9.8 m -71.08 -15.49 62.53 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 126.145 1.778 . . . . 0.0 111.014 176.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 51.19 37.62 18.87 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 127.592 2.357 . . . . 0.0 113.252 -172.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.46 138.77 53.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 127.123 2.169 . . . . 0.0 108.935 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -86.51 7.71 24.93 Favored 'General case' 0 CA--C 1.559 1.313 0 C-N-CA 123.751 0.821 . . . . 0.0 112.649 169.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.28 148.99 34.77 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 126.827 2.051 . . . . 0.0 110.661 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.5 118.85 37.71 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-O 125.141 2.401 . . . . 0.0 113.176 172.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -74.47 175.36 7.83 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 110.041 -3.254 . . . . 0.0 109.122 167.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -64.19 -13.67 50.23 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.015 1.116 . . . . 0.0 114.015 172.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -140.13 133.97 30.6 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.322 1.449 . . . . 0.0 112.99 173.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.415 ' HE2' HG13 ' A' ' 7' ' ' VAL . 27.3 mtp -137.09 151.96 49.47 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.024 1.329 . . . . 0.0 112.628 169.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.463 HD13 HD13 ' A' ' 37' ' ' LEU . 3.4 mt -130.33 157.01 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 125.813 1.645 . . . . 0.0 109.189 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -109.07 135.63 49.9 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.048 0.939 . . . . 0.0 111.603 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.9 t -65.08 131.58 46.93 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 124.18 0.992 . . . . 0.0 110.498 170.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -70.29 -20.15 63.05 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 178.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -91.09 -52.22 4.94 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -172.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.479 ' SG ' ' SG ' ' A' ' 28' ' ' CYS . 17.4 p -113.72 4.73 16.13 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 -178.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 69.83 3.46 4.3 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 116.554 2.057 . . . . 0.0 116.554 179.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.479 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 26.6 p -74.63 149.87 39.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 119.987 -1.696 . . . . 0.0 111.751 -173.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.421 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 65.4 m95 -102.91 144.15 31.58 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 125.339 1.456 . . . . 0.0 113.837 -176.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.416 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.1 mp0 -143.16 160.68 39.98 Favored 'General case' 0 CA--C 1.497 -1.083 0 O-C-N 121.253 -0.904 . . . . 0.0 110.495 -176.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -72.15 118.43 15.02 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 168.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.58 -35.69 74.4 Favored Glycine 0 N--CA 1.46 0.27 0 C-N-CA 118.491 -1.814 . . . . 0.0 114.39 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.71 -18.53 23.9 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 123.493 0.717 . . . . 0.0 112.167 -177.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.9 m -80.21 -29.59 38.59 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.992 1.717 . . . . 0.0 112.75 170.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.2 mmt -95.65 -7.83 36.45 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 127.428 2.291 . . . . 0.0 113.103 -176.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.95 27.11 46.91 Favored Glycine 0 C--N 1.342 0.909 0 C-N-CA 125.959 1.742 . . . . 0.0 114.4 -176.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.463 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -129.83 151.37 50.47 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 122.419 1.104 . . . . 0.0 110.457 178.395 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.46 167.06 19.23 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 129.192 2.997 . . . . 0.0 107.968 178.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.68 -25.42 53.95 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 170.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -67.15 -38.07 84.88 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 171.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -100.57 1.21 40.64 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 -170.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.636 HG21 HG21 ' C' ' 3' ' ' THR . 72.5 t -54.16 112.96 4.39 Favored Pre-proline 0 N--CA 1.488 1.451 0 CA-C-N 121.041 1.746 . . . . 0.0 110.176 -169.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -77.95 168.27 22.37 Favored 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 122.306 2.004 . . . . 0.0 111.322 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -73.61 -31.48 63.57 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.407 -0.808 . . . . 0.0 109.676 175.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -132.92 81.89 1.97 Allowed 'General case' 0 C--N 1.34 0.169 0 C-N-CA 124.953 1.301 . . . . 0.0 113.847 175.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.95 124.25 30.82 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 167.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.46 137.7 33.28 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 126.302 1.841 . . . . 0.0 111.046 169.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 p -93.83 148.69 21.9 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-O 118.301 -0.857 . . . . 0.0 109.986 -176.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -40.06 -38.3 0.71 Allowed 'General case' 0 CA--C 1.555 1.144 0 N-CA-C 117.65 2.463 . . . . 0.0 117.65 170.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.6 t -61.11 -30.28 47.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 O-C-N 120.448 -1.408 . . . . 0.0 111.942 173.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 85.9 m -94.51 -62.4 1.33 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.37 1.868 . . . . 0.0 112.594 169.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -82.29 -30.82 30.35 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 117.375 2.361 . . . . 0.0 117.375 -175.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.7 t0 . . . . . 0 C--O 1.257 1.472 0 C-N-CA 126.524 1.93 . . . . 0.0 110.997 -168.268 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.873 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -58.31 151.86 18.71 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 120.283 1.401 . . . . 0.0 110.912 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . 0.636 HG21 HG21 ' A' ' 42' ' ' VAL . 1.5 p -145.39 154.07 41.89 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.348 0 C-N-CA 125.72 1.608 . . . . 0.0 110.037 -174.681 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -121.58 12.39 10.73 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.192 0.997 . . . . 0.0 112.612 170.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 23.7 m 58.7 66.79 1.01 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 126.079 1.752 . . . . 0.0 112.673 -175.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . 57.53 41.13 26.36 Favored 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 169.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -68.86 151.18 46.92 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 121.382 -0.824 . . . . 0.0 111.677 169.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -69.35 150.36 47.41 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.749 1.22 . . . . 0.0 112.29 178.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 24.4 m -71.06 -24.48 62.34 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 178.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 94.0 m -137.27 -56.98 0.71 Allowed 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.728 2.011 . . . . 0.0 110.734 177.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.253 -3.61 0 CA-C-N 118.904 0.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.861 0 N-CA-C 112.048 -0.421 . . . . 0.0 112.048 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -84.15 -54.27 4.94 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 22.5 ptp -84.51 -35.5 22.85 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -177.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 48.88 12.26 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 -169.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.29 0.0 OUTLIER 56.53 10.79 0.74 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 128.277 2.631 . . . . 0.0 115.308 179.136 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -86.4 154.41 21.19 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.439 2.296 . . . . 0.0 112.104 170.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -82.83 113.36 20.41 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 121.363 0.601 . . . . 0.0 109.774 169.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -133.96 161.77 33.88 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 126.677 1.991 . . . . 0.0 111.714 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -69.35 102.78 1.82 Allowed 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 176.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.9 t -135.07 108.27 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.917 1.287 . . . . 0.0 110.974 -169.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.415 HG13 ' HE2' ' A' ' 20' ' ' MET . 91.6 t -74.75 101.24 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 O-C-N 121.101 -1.0 . . . . 0.0 108.6 -179.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -128.64 89.73 2.94 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 125.416 1.486 . . . . 0.0 109.09 178.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.4 t -91.08 160.22 15.7 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 124.597 1.186 . . . . 0.0 111.73 170.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.473 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.4 pp -54.26 -16.84 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 124.999 1.32 . . . . 0.0 113.596 168.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.473 ' N ' HD12 ' A' ' 10' ' ' ILE . 10.9 m -69.79 -16.74 63.34 Favored 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 125.953 1.701 . . . . 0.0 110.834 175.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . 0.263 80.0 mm-40 49.13 40.22 17.06 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 129.068 2.947 . . . . 0.0 112.963 -173.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.01 140.97 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 C-N-CA 128.388 2.675 . . . . 0.0 108.828 177.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -89.09 7.99 32.22 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 124.19 0.996 . . . . 0.0 112.909 170.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -60.27 149.16 34.2 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 126.457 1.903 . . . . 0.0 110.926 178.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.29 118.31 36.37 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-O 124.923 2.297 . . . . 0.0 112.682 173.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -74.61 177.06 6.34 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 110.102 -3.226 . . . . 0.0 108.644 167.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -57.91 -34.24 69.62 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.834 1.254 . . . . 0.0 113.365 174.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -124.76 135.02 52.62 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.051 1.74 . . . . 0.0 114.0 176.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.415 ' HE2' HG13 ' A' ' 7' ' ' VAL . 27.1 mtp -136.98 152.45 50.16 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.335 1.454 . . . . 0.0 112.933 169.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.466 HD13 HD13 ' A' ' 37' ' ' LEU . 3.6 mt -130.56 157.61 42.95 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 C-N-CA 125.66 1.584 . . . . 0.0 109.242 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.414 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 22.5 tt0 -109.44 135.47 50.42 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.869 0.868 . . . . 0.0 111.318 178.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 46.4 t -65.51 131.87 47.49 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 124.104 0.961 . . . . 0.0 110.587 171.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -71.86 -18.46 62.06 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -91.53 -52.23 4.88 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -173.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.5 p -114.49 4.24 15.18 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.75 5.38 5.19 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 178.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.412 ' SG ' ' NE2' ' A' ' 30' ' ' GLN . 27.6 p -75.97 150.59 37.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 119.895 -1.753 . . . . 0.0 112.403 -175.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.414 ' CE2' ' HB2' ' A' ' 22' ' ' GLN . 66.2 m95 -102.84 144.07 31.64 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.545 1.538 . . . . 0.0 113.789 -176.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.412 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.2 mp0 -143.0 160.43 40.36 Favored 'General case' 0 CA--C 1.498 -1.026 0 O-C-N 121.254 -0.904 . . . . 0.0 110.723 -177.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -72.23 117.77 14.28 Favored 'General case' 0 CA--C 1.512 -0.512 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 169.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.59 -35.85 75.28 Favored Glycine 0 CA--C 1.521 0.452 0 C-N-CA 118.712 -1.708 . . . . 0.0 114.065 -176.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.0 p -67.96 -18.43 23.6 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 O-C-N 122.12 -0.635 . . . . 0.0 112.199 -177.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 88.9 m -80.4 -30.58 37.78 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.745 1.618 . . . . 0.0 112.642 170.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.8 mmt -93.92 -7.26 43.54 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 127.236 2.215 . . . . 0.0 113.247 -176.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.3 27.89 46.71 Favored Glycine 0 C--N 1.343 0.947 0 C-N-CA 125.989 1.757 . . . . 0.0 114.357 -176.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.466 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -129.94 151.35 50.59 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.315 1.046 . . . . 0.0 110.502 178.221 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.4 166.91 19.46 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 129.481 3.113 . . . . 0.0 107.937 178.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.92 -25.24 57.0 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 171.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -66.99 -37.91 85.08 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 171.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -101.16 1.14 38.83 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 -170.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.654 HG21 HG21 ' C' ' 3' ' ' THR . 73.0 t -54.05 113.53 5.18 Favored Pre-proline 0 N--CA 1.487 1.415 0 CA-C-N 120.867 1.667 . . . . 0.0 110.191 -169.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -79.93 165.26 22.12 Favored 'Trans proline' 0 N--CA 1.45 -1.064 0 C-N-CA 122.459 2.106 . . . . 0.0 111.331 178.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.9 mp0 -69.7 -34.89 74.55 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 123.942 0.897 . . . . 0.0 109.467 175.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -130.41 79.82 1.92 Allowed 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.953 1.301 . . . . 0.0 114.174 175.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.402 ' CD1' HD11 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -84.28 123.95 30.71 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 167.264 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 p -95.16 139.66 31.18 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 125.805 1.642 . . . . 0.0 110.212 169.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 p -93.65 147.36 23.08 Favored 'General case' 0 C--O 1.211 -0.968 0 CA-C-O 117.724 -1.131 . . . . 0.0 110.436 -177.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -37.4 -38.44 0.24 Allowed 'General case' 0 CA--C 1.554 1.106 0 N-CA-C 117.292 2.33 . . . . 0.0 117.292 169.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.5 t -61.43 -29.69 46.52 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 O-C-N 120.042 -1.661 . . . . 0.0 112.142 173.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 71.3 m -96.74 -62.17 1.3 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 127.427 2.291 . . . . 0.0 113.162 169.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -73.87 -36.54 64.84 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 -177.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.0 t0 . . . . . 0 N--CA 1.488 1.473 0 C-N-CA 126.773 2.029 . . . . 0.0 113.984 -172.323 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.849 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -59.76 152.39 23.01 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 120.275 1.398 . . . . 0.0 110.627 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . 0.654 HG21 HG21 ' A' ' 42' ' ' VAL . 1.5 p -145.58 153.75 41.41 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 179.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.381 0 C-N-CA 125.489 1.516 . . . . 0.0 110.92 -174.541 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -141.89 150.45 41.54 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.203 1.401 . . . . 0.0 110.607 174.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 26.9 p -69.33 139.14 54.22 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.437 0.695 . . . . 0.0 111.984 175.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -155.26 163.7 39.79 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.256 1.423 . . . . 0.0 112.125 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 53.98 39.5 30.59 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 126.021 1.728 . . . . 0.0 114.173 173.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -71.64 -18.5 62.2 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -178.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 66.5 p -68.94 156.7 38.1 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.187 1.395 . . . . 0.0 113.197 177.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 33.9 p -69.36 134.44 49.06 Favored 'General case' 0 C--O 1.254 1.333 0 C-N-CA 125.334 1.454 . . . . 0.0 113.414 177.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.253 -3.6 0 CA-C-N 118.083 0.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.038 0 CA-C-O 120.235 -0.203 . . . . 0.0 112.721 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 55.48 38.59 30.47 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 126.029 1.731 . . . . 0.0 113.927 176.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -68.65 -34.66 76.1 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 114.441 1.274 . . . . 0.0 114.441 -176.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 49.33 10.96 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 117.638 2.459 . . . . 0.0 117.638 -170.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.272 0.0 OUTLIER 54.48 14.36 0.8 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 127.702 2.401 . . . . 0.0 115.3 175.36 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -86.44 158.5 19.58 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.145 1.778 . . . . 0.0 113.374 -174.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -88.44 120.37 29.76 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.878 0.871 . . . . 0.0 109.456 169.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -118.87 103.04 9.24 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 122.092 0.949 . . . . 0.0 112.933 -175.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -69.47 117.14 10.71 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.932 2.093 . . . . 0.0 109.066 169.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.0 t -140.34 107.49 2.5 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.608 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.152 -173.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.403 HG13 ' HE2' ' A' ' 20' ' ' MET . 91.0 t -74.7 99.15 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 120.904 -1.122 . . . . 0.0 108.517 -178.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 -126.45 89.78 3.06 Favored 'General case' 0 CA--C 1.509 -0.597 0 C-N-CA 125.184 1.394 . . . . 0.0 109.347 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.0 t -91.8 160.15 15.46 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 124.482 1.114 . . . . 0.0 112.002 169.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.458 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -54.83 -16.49 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 C-N-CA 125.201 1.4 . . . . 0.0 113.501 169.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.458 ' N ' HD12 ' A' ' 10' ' ' ILE . 10.4 m -70.8 -15.31 62.65 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 126.06 1.744 . . . . 0.0 110.874 176.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 50.26 38.41 17.46 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 127.739 2.416 . . . . 0.0 113.091 -172.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.49 138.47 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 127.01 2.124 . . . . 0.0 109.041 177.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -86.36 8.06 23.09 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 123.858 0.863 . . . . 0.0 112.658 169.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -61.04 149.43 36.94 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 126.763 2.025 . . . . 0.0 110.569 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -109.46 118.76 37.47 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 124.841 2.258 . . . . 0.0 112.789 173.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -74.6 176.88 6.49 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 110.035 -3.257 . . . . 0.0 108.802 167.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -57.36 -34.25 68.62 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.882 1.273 . . . . 0.0 113.211 173.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -124.87 134.95 52.52 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.933 1.693 . . . . 0.0 113.796 177.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.403 ' HE2' HG13 ' A' ' 7' ' ' VAL . 26.8 mtp -137.28 152.46 49.81 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.414 1.486 . . . . 0.0 112.79 169.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.46 HD13 HD13 ' A' ' 37' ' ' LEU . 3.4 mt -130.74 157.69 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 C-N-CA 125.945 1.698 . . . . 0.0 109.116 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.409 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 24.4 tt0 -109.92 136.02 49.87 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.878 0.871 . . . . 0.0 111.183 178.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.7 t -65.63 132.06 47.9 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 124.155 0.982 . . . . 0.0 110.549 171.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -71.74 -18.83 62.11 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -91.74 -52.09 4.92 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -173.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.2 p -114.2 4.97 15.72 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 115.942 1.83 . . . . 0.0 115.942 -177.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 69.38 3.73 4.29 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 117.054 2.242 . . . . 0.0 117.054 178.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.418 ' SG ' ' NE2' ' A' ' 30' ' ' GLN . 26.6 p -74.47 150.1 40.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 120.428 -1.42 . . . . 0.0 112.087 -173.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.412 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 65.8 m95 -102.57 143.65 31.99 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 125.244 1.417 . . . . 0.0 113.588 -176.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.418 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.2 mp0 -143.25 160.36 40.62 Favored 'General case' 0 CA--C 1.496 -1.133 0 O-C-N 120.928 -1.107 . . . . 0.0 110.604 -177.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -71.88 118.38 14.66 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 168.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.69 -36.13 77.31 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 118.706 -1.712 . . . . 0.0 114.115 -176.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.53 -18.01 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 122.171 -0.605 . . . . 0.0 112.272 -177.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.8 m -80.59 -29.71 36.91 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.016 1.726 . . . . 0.0 112.697 170.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.2 mmt -95.64 -7.62 37.11 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.128 2.171 . . . . 0.0 113.112 -176.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.0 27.12 46.66 Favored Glycine 0 C--N 1.342 0.915 0 C-N-CA 125.817 1.675 . . . . 0.0 114.394 -176.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.46 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -129.92 150.9 51.01 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 122.407 1.098 . . . . 0.0 110.38 178.77 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.39 166.77 19.75 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 129.255 3.022 . . . . 0.0 107.729 178.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.63 -25.05 52.15 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 170.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -67.42 -38.01 83.92 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 171.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -100.69 1.23 40.31 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 115.597 1.702 . . . . 0.0 115.597 -170.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.638 HG21 HG21 ' C' ' 3' ' ' THR . 70.9 t -53.99 113.46 5.04 Favored Pre-proline 0 N--CA 1.487 1.389 0 CA-C-N 120.829 1.65 . . . . 0.0 110.293 -169.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -79.33 164.96 23.8 Favored 'Trans proline' 0 N--CA 1.45 -1.07 0 C-N-CA 122.585 2.19 . . . . 0.0 111.62 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.1 mp0 -70.11 -33.11 71.44 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.094 0.957 . . . . 0.0 109.463 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -133.0 81.95 1.97 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.964 1.306 . . . . 0.0 114.33 174.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.55 124.65 31.64 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 167.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.4 p -95.3 139.66 31.3 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 126.032 1.733 . . . . 0.0 110.025 169.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.6 p -93.57 147.34 23.08 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-O 117.644 -1.17 . . . . 0.0 110.374 -177.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -37.1 -38.47 0.2 Allowed 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 117.283 2.327 . . . . 0.0 117.283 169.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.6 t -61.57 -29.82 46.92 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 O-C-N 120.192 -1.567 . . . . 0.0 111.963 173.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 72.1 m -96.8 -62.24 1.29 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 127.396 2.278 . . . . 0.0 113.079 169.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -73.68 -36.46 65.31 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 115.602 1.705 . . . . 0.0 115.602 -177.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.3 t0 . . . . . 0 N--CA 1.489 1.502 0 C-N-CA 126.73 2.012 . . . . 0.0 113.801 -172.898 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.731 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 16.4 ttm-85 -59.56 151.85 23.48 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 120.232 1.378 . . . . 0.0 110.6 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . 0.638 HG21 HG21 ' A' ' 42' ' ' VAL . 1.5 p -145.59 153.95 41.62 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.329 0 C-N-CA 125.372 1.469 . . . . 0.0 110.667 -174.684 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -140.65 145.0 36.02 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.154 1.382 . . . . 0.0 110.794 176.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 65.6 p -79.54 163.29 24.8 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 121.887 0.851 . . . . 0.0 112.376 176.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.95 -11.3 56.15 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 37.6 ttp85 -66.6 -31.36 72.01 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.513 1.125 . . . . 0.0 112.751 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -66.04 125.88 26.84 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.072 1.349 . . . . 0.0 110.963 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 71.0 p -71.86 156.43 39.3 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.024 1.33 . . . . 0.0 113.084 176.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 84.0 m -76.64 124.27 27.38 Favored 'General case' 0 C--O 1.254 1.297 0 C-N-CA 125.037 1.335 . . . . 0.0 111.446 175.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.254 -3.569 0 CA-C-N 118.703 0.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.901 0 N-CA-C 112.194 -0.363 . . . . 0.0 112.194 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 50.23 -91.37 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 127.216 2.207 . . . . 0.0 114.603 175.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -33.82 76.34 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.859 1.264 . . . . 0.0 114.058 178.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 51.28 13.42 0.18 Allowed 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 116.347 1.98 . . . . 0.0 116.347 -169.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.285 0.0 OUTLIER 56.44 11.07 0.76 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 128.184 2.594 . . . . 0.0 115.269 178.716 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -86.36 143.49 27.82 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.612 1.965 . . . . 0.0 112.009 173.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -92.46 114.53 27.1 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.78 0.832 . . . . 0.0 110.631 169.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -133.27 160.69 36.57 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.51 1.924 . . . . 0.0 111.866 -179.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -67.43 102.34 1.1 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.671 1.188 . . . . 0.0 107.839 174.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.9 t -134.3 107.28 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.117 1.367 . . . . 0.0 110.591 -169.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.423 HG13 ' HE2' ' A' ' 20' ' ' MET . 96.8 t -75.08 100.65 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 122.093 0.949 . . . . 0.0 109.055 -178.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 mtt85 -127.68 89.81 3.01 Favored 'General case' 0 CA--C 1.51 -0.595 0 C-N-CA 125.45 1.5 . . . . 0.0 108.998 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 39.2 t -92.25 160.14 15.29 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.698 1.249 . . . . 0.0 112.109 170.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.465 HD12 ' N ' ' A' ' 11' ' ' CYS . 2.5 pp -54.79 -16.72 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 125.177 1.391 . . . . 0.0 113.479 169.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.465 ' N ' HD12 ' A' ' 10' ' ' ILE . 10.3 m -70.94 -15.65 62.61 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 126.086 1.755 . . . . 0.0 110.922 177.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 50.57 38.23 18.22 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 127.628 2.371 . . . . 0.0 113.04 -172.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.4 p -126.55 139.0 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 127.066 2.147 . . . . 0.0 108.823 177.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -87.03 7.81 26.12 Favored 'General case' 0 CA--C 1.56 1.34 0 C-N-CA 123.799 0.84 . . . . 0.0 112.665 169.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -60.59 149.16 35.72 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.77 2.028 . . . . 0.0 110.836 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.47 118.62 37.11 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-O 124.822 2.248 . . . . 0.0 113.233 173.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -74.76 174.37 9.25 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 110.03 -3.259 . . . . 0.0 109.754 167.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -58.79 -20.43 49.93 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 125.6 1.56 . . . . 0.0 114.148 171.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -137.45 133.15 34.35 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.168 1.387 . . . . 0.0 113.644 174.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.423 ' HE2' HG13 ' A' ' 7' ' ' VAL . 26.7 mtp -136.57 151.59 49.54 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.317 1.447 . . . . 0.0 112.496 169.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.474 HD13 HD13 ' A' ' 37' ' ' LEU . 3.3 mt -129.99 157.68 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 C-N-CA 125.856 1.662 . . . . 0.0 109.179 179.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -109.85 136.16 49.59 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 123.92 0.888 . . . . 0.0 111.452 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 52.0 t -65.56 132.16 48.19 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.163 0.985 . . . . 0.0 110.714 171.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -71.81 -18.58 62.08 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 177.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -91.41 -52.24 4.89 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -173.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.9 p -114.16 4.24 15.49 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 116.072 1.878 . . . . 0.0 116.072 -177.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.54 5.17 5.03 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 178.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.422 ' SG ' ' NE2' ' A' ' 30' ' ' GLN . 27.7 p -76.0 151.04 37.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 119.756 -1.84 . . . . 0.0 111.951 -175.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.421 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 65.8 m95 -103.59 144.42 31.45 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 125.469 1.508 . . . . 0.0 113.697 -176.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.422 ' NE2' ' SG ' ' A' ' 28' ' ' CYS . 27.0 mp0 -143.72 160.01 41.47 Favored 'General case' 0 CA--C 1.496 -1.117 0 O-C-N 121.198 -0.939 . . . . 0.0 110.442 -176.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -71.81 118.81 15.12 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 169.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -57.77 -36.31 78.75 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 118.756 -1.688 . . . . 0.0 114.067 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.67 -18.59 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 O-C-N 122.069 -0.665 . . . . 0.0 112.165 -177.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.3 m -79.74 -29.98 40.72 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.598 1.559 . . . . 0.0 112.705 170.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.5 mmt -95.39 -7.7 37.72 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.265 2.226 . . . . 0.0 113.058 -175.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.74 27.28 47.21 Favored Glycine 0 C--N 1.343 0.932 0 C-N-CA 126.104 1.811 . . . . 0.0 114.593 -176.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.474 HD13 HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -129.98 151.31 50.68 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.09 0.956 . . . . 0.0 110.443 178.559 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.51 167.26 18.94 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 129.312 3.045 . . . . 0.0 107.881 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.45 -24.87 58.22 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 171.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.17 -37.86 84.47 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 170.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -100.85 1.03 39.66 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.594 1.701 . . . . 0.0 115.594 -170.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.634 HG21 HG21 ' C' ' 3' ' ' THR . 70.2 t -54.11 113.15 4.63 Favored Pre-proline 0 N--CA 1.487 1.41 0 CA-C-N 120.892 1.678 . . . . 0.0 110.105 -169.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -78.15 167.94 22.57 Favored 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 122.455 2.103 . . . . 0.0 111.305 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -73.77 -32.13 63.65 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.311 -0.868 . . . . 0.0 109.514 174.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -130.99 81.6 2.0 Favored 'General case' 0 C--N 1.34 0.159 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 175.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.51 125.38 32.34 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 114.618 -1.174 . . . . 0.0 107.967 167.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.5 p -96.19 138.78 33.31 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 125.325 1.45 . . . . 0.0 110.848 169.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.6 p -91.24 145.32 24.76 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-O 117.568 -1.206 . . . . 0.0 108.576 -176.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.631 ' HA ' ' H ' ' A' ' 53' ' ' ASP . 7.0 p90 -34.46 -45.05 0.22 Allowed 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 169.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.3 t -58.37 -31.62 43.26 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 O-C-N 120.218 -1.551 . . . . 0.0 111.956 176.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.8 m -91.26 -61.63 1.61 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.046 1.738 . . . . 0.0 111.531 168.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -59.34 2.76 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 115.929 1.826 . . . . 0.0 115.929 -178.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.631 ' H ' ' HA ' ' A' ' 49' ' ' TYR . 47.1 t0 . . . . . 0 N--CA 1.493 1.677 0 N-CA-C 118.119 2.637 . . . . 0.0 118.119 -175.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.875 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -59.7 152.69 22.03 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 120.451 1.478 . . . . 0.0 110.72 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . 0.634 HG21 HG21 ' A' ' 42' ' ' VAL . 1.3 p -146.26 154.37 41.64 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.326 0 C-N-CA 125.276 1.43 . . . . 0.0 111.059 -174.365 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -140.34 151.96 45.43 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.316 1.446 . . . . 0.0 111.329 172.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 68.0 p -79.82 160.44 26.12 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.266 1.027 . . . . 0.0 112.815 174.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . 62.63 158.45 0.07 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.77 2.428 . . . . 0.0 116.115 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 89.7 mmt-85 -135.94 27.99 3.22 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.722 1.609 . . . . 0.0 112.762 -177.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -71.22 157.11 38.71 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.483 1.513 . . . . 0.0 112.42 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 50.2 m -142.32 155.17 45.17 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.687 1.595 . . . . 0.0 111.942 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 83.6 m -73.35 -53.52 10.58 Favored 'General case' 0 C--O 1.253 1.247 0 C-N-CA 124.82 1.248 . . . . 0.0 111.425 174.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.255 -3.53 0 CA-C-N 118.799 0.727 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 800' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 801' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_