data_2abx_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 2abx _Structure_validation_residue.Date_analyzed 2016-10-12 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 ecloud orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . 0.457 1.2 tt . . . . . 0 N--CA 1.505 2.308 0 N-CA-C 106.538 -1.653 . . . . 25.0 106.538 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . 0.849 ' CG1' ' N ' ' A' ' 22' ' ' LEU 0.473 0.1 OUTLIER -151.73 -107.32 0.0 OUTLIER 'Isoleucine or valine' 1 C--N 1.428 4.002 0 N-CA-C 120.897 3.666 . . . . 25.0 120.897 -175.444 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' CYS . . . . . 0.938 ' O ' ' CG2' ' A' ' 15' ' ' THR 0.263 3.8 p -94.41 147.7 22.98 Favored 'General case' 0 C--N 1.249 -3.767 2 O-C-N 134.756 7.535 . . . . 25.0 117.708 -162.928 82.738 -136.06 -78.431 69.913 2.138 108.646 -160.573 -48.862 4 3 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' HIS . . . . . 1.225 ' CE1' ' CB ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -147.7 86.17 1.58 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 127.083 2.74 . . . . 25.0 112.167 -178.178 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . 0.903 ' OG1' ' OD1' ' A' ' 66' ' ' ASN . 23.1 p -163.81 -150.98 0.16 Allowed 'General case' 0 C--O 1.24 0.605 0 O-C-N 128.988 3.93 . . . . 25.0 106.549 -179.348 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' THR . . . . . 0.863 ' O ' ' CB ' ' A' ' 7' ' ' ALA 0.327 10.5 m -57.89 -156.37 0.0 OUTLIER 'General case' 0 CA--C 1.473 -1.981 0 N-CA-C 104.407 -2.442 . . . . 25.0 104.407 170.758 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . 0.863 ' CB ' ' O ' ' A' ' 6' ' ' THR . . . 107.75 82.02 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 105.872 -1.899 . . . . 18.86 105.872 -176.595 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 m 61.66 77.99 0.31 Allowed 'General case' 0 C--N 1.294 -1.821 0 CA-C-N 114.522 -1.217 . . . . 21.91 110.938 -175.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . 0.996 ' CB ' ' CD ' ' A' ' 10' ' ' PRO 0.435 0.2 OUTLIER 70.38 -137.39 0.0 OUTLIER Pre-proline 0 C--N 1.27 -2.871 4 O-C-N 132.35 6.031 . . . . 25.0 123.311 170.52 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PRO . . . . . 0.996 ' CD ' ' CB ' ' A' ' 9' ' ' ILE 0.37 17.6 Cg_exo -49.83 -19.45 3.74 Favored 'Trans proline' 0 C--O 1.276 2.388 0 CA-C-O 124.955 1.981 . . . . 25.0 108.172 -169.092 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' SER . . . . . 0.978 ' CB ' ' O ' ' A' ' 10' ' ' PRO 0.362 57.9 m 75.12 140.92 0.07 Allowed 'General case' 0 N--CA 1.516 2.833 1 C-N-CA 109.723 -4.791 . . . . 19.3 108.569 178.756 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . 0.574 ' C ' ' N ' ' A' ' 14' ' ' VAL 0.293 0.3 OUTLIER -159.68 27.98 0.19 Allowed 'General case' 0 C--N 1.31 -1.11 0 CA-C-O 128.316 3.913 . . . . 12.88 108.806 -179.72 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ALA . . . . . 1.225 ' CB ' ' CE1' ' A' ' 4' ' ' HIS 0.277 . . 70.14 -22.33 0.17 Allowed 'General case' 0 C--O 1.245 0.848 1 CA-C-N 106.296 -4.957 . . . . 25.0 108.679 175.461 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' VAL . . . . . 0.574 ' N ' ' C ' ' A' ' 12' ' ' SER . 20.8 t 30.74 -80.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.266 1.969 0 CA-C-N 108.539 -3.937 . . . . 25.0 111.546 178.597 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' THR . . . . . 0.938 ' CG2' ' O ' ' A' ' 3' ' ' CYS 0.473 6.7 p 79.97 58.67 0.02 OUTLIER 'General case' 0 N--CA 1.414 -2.233 1 CA-C-O 129.135 4.303 . . . . 25.0 107.209 -167.982 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' CYS . . . . . 1.249 ' CB ' ' CD ' ' A' ' 17' ' ' PRO 0.334 0.6 OUTLIER 14.05 -142.35 0.0 OUTLIER Pre-proline 0 N--CA 1.418 -2.055 2 CA-C-N 106.69 -4.777 . . . . 17.86 122.913 174.106 28.048 140.086 74.312 88.135 2.032 89.248 160.276 -149.974 5 4 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' PRO . . . . . 1.254 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 2.5 Cg_endo -67.21 -135.94 0.01 OUTLIER 'Trans proline' 0 C--O 1.271 2.163 0 C-N-CA 124.632 3.555 . . . . 23.36 113.564 -171.362 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' PRO . . . . . 1.254 ' CD ' ' CB ' ' A' ' 17' ' ' PRO 0.608 19.0 Cg_endo -100.44 -129.03 0.01 OUTLIER 'Trans proline' 0 N--CA 1.424 -2.593 0 C-N-CA 123.925 3.084 . . . . 25.0 106.794 -175.969 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLY . . . . . 0.74 ' O ' ' CD ' ' A' ' 20' ' ' GLU . . . 73.87 -97.55 0.92 Allowed Glycine 0 N--CA 1.509 3.51 0 O-C-N 126.061 2.101 . . . . 25.0 113.638 172.927 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . 0.74 ' CD ' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER 130.63 91.61 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 113.299 -1.451 . . . . 25.0 107.637 -179.269 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 114.6 153.71 0.0 OUTLIER 'General case' 0 C--O 1.247 0.942 1 O-C-N 130.01 4.569 . . . . 25.0 107.462 -175.578 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . 1.028 ' CD1' ' CB ' ' A' ' 61' ' ' SER . 0.1 OUTLIER 50.99 175.93 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.264 4 O-C-N 136.781 8.801 . . . . 17.21 123.394 171.425 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' CYS . . . . . 0.602 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 24.6 m -155.96 128.07 7.55 Favored 'General case' 0 C--N 1.348 0.541 2 O-C-N 131.515 5.509 . . . . 23.05 108.467 178.828 -48.862 -160.573 -78.431 108.646 2.138 69.913 -136.06 82.738 3 3 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' TYR . . . . . 0.856 ' CD1' ' CE ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -82.65 102.02 11.2 Favored 'General case' 0 C--O 1.245 0.866 2 C-N-CA 132.287 4.235 . . . . 25.0 118.79 -172.719 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.26 142.79 30.86 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-O 114.702 -2.57 . . . . 25.0 105.635 -178.768 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . 0.825 ' O ' ' CB ' ' A' ' 27' ' ' MET . 35.6 tttt -169.8 121.46 0.69 Allowed 'General case' 0 CA--C 1.469 -2.14 0 O-C-N 127.563 3.039 . . . . 17.08 114.782 176.796 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' MET . . . . . 0.839 ' SD ' ' OH ' ' A' ' 54' ' ' TYR . 1.9 ttt 114.75 170.62 0.0 OUTLIER 'General case' 0 C--O 1.206 -1.189 0 N-CA-C 117.202 2.297 . . . . 7.75 117.202 172.64 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' TRP . . . . . 0.784 ' N ' ' CG ' ' A' ' 27' ' ' MET . 2.2 t90 163.21 -66.41 0.0 OUTLIER 'General case' 0 C--O 1.257 1.485 0 CA-C-N 109.288 -3.596 . . . . 25.0 115.012 177.474 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' CYS . . . . . 1.061 ' O ' ' SG ' ' A' ' 33' ' ' CYS 0.71 1.7 t -90.76 45.03 1.23 Allowed 'General case' 0 C--O 1.294 3.433 1 N-CA-C 131.757 7.688 . . . . 25.0 131.757 -173.212 -148.959 -101.879 -125.776 100.727 2.036 99.439 -88.127 -50.938 4 3 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ASP . . . . . 0.558 ' O ' ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER 35.09 -88.71 0.01 OUTLIER 'General case' 0 C--O 1.276 2.456 2 CA-C-O 129.513 4.483 . . . . 25.0 113.899 177.307 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 30' ' ' ASP 0.268 . . 162.39 10.69 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 CA-C-O 112.431 -3.652 . . . . 25.0 103.165 174.853 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' PHE . . . . . 0.479 ' C ' ' N ' ' A' ' 34' ' ' SER . 1.1 p90 -130.72 75.82 1.68 Allowed 'General case' 0 CA--C 1.577 1.991 2 O-C-N 139.677 10.611 . . . . 25.0 108.184 173.893 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' CYS . . . . . 1.061 ' SG ' ' O ' ' A' ' 29' ' ' CYS 0.595 34.3 m -86.23 53.06 2.66 Favored 'General case' 0 N--CA 1.533 3.696 1 CA-C-O 133.913 6.577 . . . . 25.0 103.443 178.867 -50.938 -88.127 -125.776 99.439 2.036 100.727 -101.879 -148.959 4 3 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' SER . . . . . 0.53 ' O ' ' CB ' ' A' ' 35' ' ' SER . 10.3 p -93.55 32.4 1.39 Allowed 'General case' 0 C--N 1.381 1.965 0 CA-C-N 108.769 -3.832 . . . . 25.0 104.298 179.06 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 34' ' ' SER . 14.1 m 112.36 -171.33 0.0 OUTLIER 'General case' 0 C--O 1.243 0.761 1 O-C-N 131.384 5.427 . . . . 25.0 111.688 176.215 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 39.01 -142.03 0.03 OUTLIER 'General case' 0 C--O 1.3 3.759 0 C-N-CA 130.69 3.596 . . . . 25.0 113.387 -178.01 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.56 80.6 0.05 OUTLIER Glycine 0 N--CA 1.489 2.194 0 O-C-N 126.182 2.176 . . . . 25.0 113.339 -179.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.5 60.02 0.49 Allowed 'General case' 0 C--O 1.259 1.582 0 CA-C-O 127.113 3.34 . . . . 25.0 113.174 -168.832 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . 0.441 0.8 OUTLIER -137.48 90.8 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.253 1.286 0 N-CA-C 101.516 -3.512 . . . . 25.0 101.516 167.681 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . 0.366 20.8 m -108.11 -179.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.97 1 CA-C-O 129.761 4.6 . . . . 25.0 117.667 -175.793 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLU . . . . . 0.86 ' C ' ' CD2' ' A' ' 42' ' ' LEU . 1.4 tp10 -128.77 156.23 43.88 Favored 'General case' 0 C--O 1.261 1.694 1 C-N-CA 136.062 5.745 . . . . 25.0 103.588 175.078 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . 1.281 ' CB ' ' ND2' ' A' ' 66' ' ' ASN . 0.3 OUTLIER 151.11 55.32 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.38 0 O-C-N 126.422 2.326 . . . . 25.0 108.841 -175.043 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 44' ' ' CYS . . . -116.7 -90.8 1.58 Allowed Glycine 0 C--O 1.267 2.187 0 CA-C-N 111.728 -2.487 . . . . 24.21 117.989 -179.059 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' CYS . . . . . 0.71 ' SG ' ' CD ' ' A' ' 17' ' ' PRO . 1.8 t 154.22 150.21 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 124.928 2.299 . . . . 25.0 111.3 -165.983 -149.974 160.276 74.312 89.248 2.032 88.135 140.086 28.048 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ALA . . . . . 0.587 ' CB ' ' O ' ' A' ' 44' ' ' CYS . . . 172.34 40.82 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 113.971 -3.092 . . . . 14.07 108.559 -174.369 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 45' ' ' ALA . . . 109.0 -112.6 0.0 OUTLIER 'General case' 0 C--O 1.253 1.248 0 O-C-N 127.533 3.021 . . . . 13.21 110.132 -179.735 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . 0.75 ' O ' ' N ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -120.85 62.95 0.87 Allowed 'General case' 0 C--O 1.268 2.032 1 N-CA-C 123.519 4.637 . . . . 25.0 123.519 -170.245 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' CYS . . . . . 0.923 ' O ' ' N ' ' A' ' 50' ' ' SER 0.313 0.7 OUTLIER 13.29 55.24 0.05 OUTLIER Pre-proline 0 N--CA 1.491 1.58 0 CA-C-N 113.9 -1.5 . . . . 25.0 107.737 174.27 155.537 -170.792 -98.707 151.001 2.126 112.503 49.889 -142.264 4 4 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PRO . . . . . 0.75 ' N ' ' O ' ' A' ' 47' ' ' THR 0.274 8.0 Cg_exo -21.51 -27.77 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.176 0 C-N-CA 124.355 3.37 . . . . 25.0 108.186 172.297 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' SER . . . . . 0.95 ' O ' ' CG ' ' A' ' 51' ' ' LYS 0.31 9.5 p 115.79 -86.07 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 108.633 -3.894 . . . . 21.1 102.895 -174.403 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LYS . . . . . 0.95 ' CG ' ' O ' ' A' ' 50' ' ' SER 0.324 15.7 mttp 141.97 -140.8 0.0 OUTLIER 'General case' 0 C--O 1.281 2.741 0 C-N-CA 129.277 3.031 . . . . 25.0 114.4 173.435 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LYS . . . . . 0.918 ' CB ' ' CD ' ' A' ' 53' ' ' PRO 0.549 3.2 mptt -126.44 -161.11 0.04 OUTLIER Pre-proline 0 C--O 1.29 3.201 0 O-C-N 116.651 -3.781 . . . . 25.0 118.86 179.499 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' PRO . . . . . 0.965 ' O ' ' O ' ' A' ' 54' ' ' TYR . 0.1 OUTLIER -85.68 -24.39 1.87 Allowed 'Trans proline' 0 C--O 1.282 2.685 2 C-N-CA 131.527 8.152 . . . . 25.0 124.113 -170.281 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' TYR . . . . . 0.965 ' O ' ' O ' ' A' ' 53' ' ' PRO 0.671 0.1 OUTLIER -29.9 175.48 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 122.336 2.335 . . . . 25.0 107.423 169.032 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLU . . . . . 0.877 ' O ' ' O ' ' A' ' 54' ' ' TYR 0.419 2.5 mt-10 -56.34 -127.06 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.81 1 O-C-N 114.511 -5.118 . . . . 18.0 108.491 -168.525 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -36.81 120.26 0.7 Allowed 'General case' 0 C--N 1.274 -2.711 1 C-N-CA 142.125 8.17 . . . . 25.0 120.434 -176.844 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' VAL . . . . . 0.815 ' CG1' ' CG ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -139.13 -160.63 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 O-C-N 118.454 -2.654 . . . . 17.42 116.093 174.797 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' THR . . . . . 0.633 ' OG1' ' N ' ' A' ' 59' ' ' CYS 0.781 2.8 t 152.27 -162.56 0.0 OUTLIER 'General case' 0 N--CA 1.411 -2.411 1 C-N-CA 133.214 4.606 . . . . 25.0 118.27 170.155 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' CYS . . . . . 0.633 ' N ' ' OG1' ' A' ' 58' ' ' THR . 0.5 OUTLIER -162.58 82.15 0.52 Allowed 'General case' 0 CA--C 1.569 1.7 2 C-N-CA 135.517 5.527 . . . . 14.19 114.544 -172.985 -142.264 49.889 -98.707 112.503 2.126 151.001 -170.792 155.537 4 4 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' CYS . . . . . 1.281 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -62.26 -136.1 0.0 OUTLIER 'General case' 0 C--O 1.253 1.282 1 CA-C-O 109.77 -4.919 . . . . 25.0 111.231 176.718 -117.871 -150.481 -48.338 96.701 2.313 99.344 -155.189 -91.049 4 4 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' SER . . . . . 1.028 ' CB ' ' CD1' ' A' ' 22' ' ' LEU . 0.3 OUTLIER 127.31 30.72 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.998 0 O-C-N 128.377 3.548 . . . . 17.5 112.273 173.905 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . 0.375 0.0 OUTLIER -100.64 -1.75 34.5 Favored 'General case' 0 C--O 1.276 2.484 0 N-CA-C 118.532 2.79 . . . . 25.0 118.532 -165.451 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . 0.263 0.0 OUTLIER 157.31 -83.59 0.0 OUTLIER 'General case' 0 C--N 1.282 -2.367 2 C-N-CA 135.937 5.695 . . . . 25.0 101.507 179.469 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -112.01 -146.44 0.41 Allowed 'General case' 0 C--N 1.277 -2.55 2 O-C-N 136.926 8.892 . . . . 25.0 108.665 -176.172 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' CYS . . . . . 1.281 ' SG ' ' SG ' ' A' ' 60' ' ' CYS 0.583 1.6 m 165.65 -24.37 0.0 OUTLIER 'General case' 0 C--O 1.296 3.545 1 N-CA-C 127.98 6.289 . . . . 25.0 127.98 170.925 -91.049 -155.189 -48.338 99.344 2.313 96.701 -150.481 -117.871 4 3 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASN . . . . . 1.281 ' ND2' ' CB ' ' A' ' 42' ' ' LEU 0.614 23.6 p-10 -111.93 -30.75 7.16 Favored 'General case' 0 C--O 1.301 3.783 2 N-CA-C 132.2 7.852 . . . . 25.0 132.2 -167.427 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' HIS . . . . . 0.746 ' C ' ' O ' ' A' ' 66' ' ' ASN 0.306 0.8 OUTLIER -20.36 130.43 0.05 OUTLIER Pre-proline 0 C--O 1.252 1.194 3 CA-C-N 127.893 4.86 . . . . 22.25 105.767 177.968 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' PRO . . . . . 0.429 ' CG ' ' O ' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -109.86 138.11 0.04 OUTLIER 'Trans proline' 0 C--N 1.303 -1.849 2 O-C-N 130.93 5.174 . . . . 25.0 116.32 -177.25 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -16.97 -178.87 0.0 OUTLIER 'Trans proline' 0 N--CA 1.42 -2.827 2 C-N-CA 133.364 9.376 . . . . 25.0 124.344 170.692 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 71' ' ' ARG 0.596 0.2 OUTLIER 42.42 -115.75 0.34 Allowed 'General case' 0 C--O 1.292 3.306 2 CA-C-O 106.716 -6.373 . . . . 19.85 105.217 -175.443 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ARG . . . . . 0.553 ' CB ' ' O ' ' A' ' 70' ' ' LYS . 1.5 mtt85 79.17 -177.4 0.09 Allowed 'General case' 0 C--N 1.298 -1.647 2 CA-C-N 131.336 6.425 . . . . 25.0 118.352 172.227 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLN . . . . . 0.903 ' CA ' ' OE1' ' A' ' 72' ' ' GLN 0.418 0.1 OUTLIER -154.98 120.38 2.61 Favored Pre-proline 0 C--O 1.278 2.582 0 CA-C-N 109.717 -3.402 . . . . 25.0 114.37 -159.29 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' PRO . . . . . 0.511 ' CD ' ' OE1' ' A' ' 72' ' ' GLN 0.474 0.2 OUTLIER -15.67 51.83 0.0 OUTLIER 'Trans proline' 0 N--CA 1.426 -2.466 2 C-N-CA 131.035 7.823 . . . . 25.0 119.911 -174.405 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 C--O 1.306 4.642 0 O-C-N 118.815 -2.428 . . . . 25.0 111.89 177.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ILE . . . . . 0.536 ' O ' ' CG1' ' B' ' 1' ' ' ILE 0.438 0.5 OUTLIER . . . . . 0 C--O 1.245 0.818 0 CA-C-O 128.43 3.967 . . . . 7.32 111.172 . . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . 0.427 ' CG1' ' SG ' ' B' ' 3' ' ' CYS . 0.0 OUTLIER -92.0 165.8 1.88 Allowed 'Isoleucine or valine' 0 C--O 1.278 2.581 1 CA-C-N 106.294 -4.957 . . . . 25.0 106.146 173.359 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' CYS . . . . . 0.427 ' SG ' ' CG1' ' B' ' 2' ' ' VAL 0.669 3.4 m -6.2 117.69 0.01 OUTLIER 'General case' 0 C--N 1.261 -3.274 2 C-N-CA 143.955 8.902 . . . . 17.54 114.693 173.827 -37.918 -65.752 -105.512 106.601 1.986 101.973 -59.557 -60.08 4 3 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' HIS . . . . . 0.775 ' CD2' ' CB ' ' B' ' 13' ' ' ALA . 59.8 t-80 -103.06 93.09 4.83 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 127.87 3.231 . . . . 25.0 106.51 174.092 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' THR . . . . . 0.757 ' CG2' ' CG ' ' B' ' 64' ' ' LYS . 69.4 p -167.52 -144.83 0.06 Allowed 'General case' 0 CA--C 1.558 1.281 0 CA-C-N 110.035 -3.257 . . . . 17.42 102.991 177.146 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' THR . . . . . 0.723 ' OG1' ' OG ' ' B' ' 11' ' ' SER . 1.1 t -73.09 152.92 41.02 Favored 'General case' 0 CA--C 1.578 2.035 1 O-C-N 130.33 4.768 . . . . 25.0 101.859 170.447 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ALA . . . . . 1.011 ' O ' ' CG2' ' B' ' 14' ' ' VAL . . . 167.94 60.22 0.0 OUTLIER 'General case' 0 C--N 1.268 -2.976 1 N-CA-C 98.749 -4.537 . . . . 8.95 98.749 179.046 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' THR . . . . . 0.59 ' O ' ' O ' ' B' ' 9' ' ' ILE 0.516 1.9 m 91.03 130.82 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.378 3 CA-C-N 104.46 -5.791 . . . . 25.0 118.189 177.484 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ILE . . . . . 1.03 ' O ' ' N ' ' B' ' 11' ' ' SER . 0.0 OUTLIER 21.29 -159.11 0.0 OUTLIER Pre-proline 0 C--O 1.273 2.325 2 C-N-CA 136.743 6.017 . . . . 25.0 108.639 -176.591 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' PRO . . . . . 0.809 ' C ' ' O ' ' B' ' 9' ' ' ILE 0.445 5.6 Cg_exo -20.86 83.01 0.0 OUTLIER 'Trans proline' 0 N--CA 1.505 2.203 1 CA-C-O 131.264 4.61 . . . . 25.0 102.32 -174.796 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' SER . . . . . 1.03 ' N ' ' O ' ' B' ' 9' ' ' ILE . 50.5 m -52.51 115.61 1.86 Allowed 'General case' 0 C--O 1.251 1.148 1 CA-C-N 105.376 -5.374 . . . . 25.0 108.67 177.981 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.48 68.16 0.35 Allowed 'General case' 0 CA--C 1.567 1.604 0 C-N-CA 124.537 1.135 . . . . 25.0 110.858 172.688 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ALA . . . . . 0.775 ' CB ' ' CD2' ' B' ' 4' ' ' HIS 0.368 . . 59.03 -45.38 0.07 Allowed 'General case' 0 N--CA 1.386 -3.632 2 C-N-CA 142.247 8.219 . . . . 18.39 118.096 -175.495 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' VAL . . . . . 1.011 ' CG2' ' O ' ' B' ' 7' ' ' ALA 0.291 42.3 t 74.25 -59.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.284 -2.243 2 C-N-CA 136.264 5.825 . . . . 24.58 113.022 -176.801 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 73.79 29.91 1.42 Allowed 'General case' 0 C--O 1.295 3.496 0 CA-C-O 124.004 1.859 . . . . 25.0 111.015 -178.481 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' CYS . . . . . 0.992 ' CB ' ' CD ' ' B' ' 17' ' ' PRO 0.574 2.7 m 53.45 -159.35 0.01 OUTLIER Pre-proline 0 C--O 1.255 1.347 0 C-N-CA 130.58 3.552 . . . . 13.87 116.501 -178.689 -34.572 -92.037 -81.872 115.4 1.908 109.913 142.785 51.846 3 3 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' PRO . . . . . 0.992 ' CD ' ' CB ' ' B' ' 16' ' ' CYS 0.332 18.7 Cg_endo -122.52 -156.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.281 -2.986 2 C-N-CA 134.925 10.417 . . . . 7.59 94.397 -177.446 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' PRO . . . . . 0.654 ' CD ' ' CB ' ' B' ' 17' ' ' PRO . 5.7 Cg_exo -61.69 157.31 42.99 Favored 'Trans proline' 0 C--N 1.286 -2.722 1 O-C-N 131.576 5.514 . . . . 21.79 108.608 -174.315 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' B' ' 20' ' ' GLU . . . 146.62 -104.79 0.3 Allowed Glycine 0 N--CA 1.488 2.155 0 C-N-CA 117.153 -2.451 . . . . 25.0 117.168 175.031 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . 0.422 ' CB ' ' O ' ' B' ' 19' ' ' GLY . 0.0 OUTLIER 102.92 119.86 0.01 OUTLIER 'General case' 0 C--O 1.269 2.086 0 CA-C-O 123.989 1.852 . . . . 25.0 106.898 -176.576 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASN . . . . . 0.472 ' OD1' ' C ' ' B' ' 21' ' ' ASN . 0.0 OUTLIER 82.71 141.76 0.07 Allowed 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 112.27 -2.241 . . . . 25.0 110.5 -178.508 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LEU . . . . . 0.448 ' O ' ' CD2' ' B' ' 22' ' ' LEU 0.452 0.0 OUTLIER 61.75 137.85 0.01 OUTLIER 'General case' 1 C--O 1.332 5.407 1 C-N-CA 143.091 8.556 . . . . 25.0 120.617 -177.485 . . . . . . . . 6 4 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' CYS . . . . . 0.599 ' CB ' ' SG ' ' B' ' 60' ' ' CYS . 82.5 m -108.88 112.46 24.71 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 113.485 -3.15 . . . . 15.79 107.165 175.006 -60.08 -59.557 -105.512 101.973 1.986 106.601 -65.752 -37.918 2 2 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' TYR . . . . . 0.715 ' CZ ' ' CG ' ' B' ' 49' ' ' PRO 0.36 2.6 p90 -105.42 138.02 42.29 Favored 'General case' 0 C--O 1.279 2.645 0 CA-C-N 122.903 2.592 . . . . 25.0 117.407 179.384 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ARG . . . . . 0.486 ' CD ' ' CB ' ' B' ' 66' ' ' ASN . 11.2 mtp-105 -120.69 159.97 24.26 Favored 'General case' 0 C--O 1.195 -1.792 0 O-C-N 118.738 -2.476 . . . . 25.0 115.842 -175.958 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -165.58 153.03 10.58 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 126.662 1.985 . . . . 19.45 113.66 178.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' MET . . . . . 0.46 ' SD ' ' O ' ' B' ' 39' ' ' VAL 0.401 0.0 OUTLIER 77.25 148.73 0.1 Allowed 'General case' 0 C--N 1.294 -1.81 1 C-N-CA 135.962 5.705 . . . . 18.73 115.649 173.951 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' TRP . . . . . 0.427 ' CZ3' ' NH2' ' B' ' 25' ' ' ARG 0.31 0.5 OUTLIER -140.23 -55.44 0.53 Allowed 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 116.854 2.168 . . . . 25.0 116.854 178.459 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' B' ' 31' ' ' ALA . 37.7 t -113.46 106.43 14.55 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 118.815 -2.428 . . . . 21.28 107.843 175.025 174.729 -122.169 -114.64 118.403 2.246 89.52 -72.67 -29.512 2 2 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ASP . . . . . 0.878 ' O ' ' CB ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -26.66 -39.29 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.905 0 O-C-N 126.877 2.611 . . . . 21.79 112.571 -177.92 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ALA . . . . . 0.878 ' CB ' ' O ' ' B' ' 30' ' ' ASP . . . 136.56 -3.92 0.0 OUTLIER 'General case' 0 C--N 1.284 -2.256 0 C-N-CA 118.715 -1.194 . . . . 24.78 110.186 -178.944 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.3 70.08 1.23 Allowed 'General case' 0 CA--C 1.592 2.59 0 CA-C-N 115.134 -0.939 . . . . 21.48 108.557 177.077 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . 0.311 1.6 m -71.31 99.07 1.87 Allowed 'General case' 0 N--CA 1.483 1.194 0 O-C-N 128.309 3.506 . . . . 25.0 109.308 -176.776 -29.512 -72.67 -114.64 89.52 2.246 118.403 -122.169 174.729 2 2 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 2.4 m -170.47 45.95 0.03 OUTLIER 'General case' 0 N--CA 1.402 -2.836 2 O-C-N 136.388 8.555 . . . . 15.6 105.854 -178.648 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' SER . . . . . 0.4 ' O ' ' CG ' ' B' ' 36' ' ' ARG . 1.5 m 58.85 109.63 0.01 OUTLIER 'General case' 1 N--CA 1.56 5.045 1 N-CA-C 122.994 4.442 . . . . 25.0 122.994 171.439 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' B' ' 35' ' ' SER . 81.5 mtm-85 -170.75 -112.76 0.01 OUTLIER 'General case' 0 N--CA 1.53 3.534 0 O-C-N 127.698 3.124 . . . . 25.0 108.009 174.981 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.99 -1.34 27.1 Favored Glycine 0 CA--C 1.557 2.7 0 CA-C-N 115.613 -0.721 . . . . 18.43 114.044 177.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' LYS . . . . . 0.706 ' CD ' ' CG ' ' B' ' 71' ' ' ARG . 0.6 OUTLIER -96.13 68.59 2.69 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 127.662 3.601 . . . . 23.15 110.61 -179.168 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' VAL . . . . . 0.46 ' O ' ' SD ' ' B' ' 27' ' ' MET . 0.1 OUTLIER -170.16 92.35 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.601 2.912 0 N-CA-C 103.548 -2.76 . . . . 25.0 103.548 177.891 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.52 176.41 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.118 4 O-C-N 137.37 9.169 . . . . 25.0 120.693 -167.941 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' GLU . . . . . 0.578 ' C ' ' CD1' ' B' ' 42' ' ' LEU . 46.6 tt0 -163.73 118.02 1.55 Allowed 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 109.154 -3.657 . . . . 25.0 106.353 -179.401 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' LEU . . . . . 0.806 ' CD1' ' N ' ' B' ' 42' ' ' LEU 0.266 0.0 OUTLIER -142.56 128.38 19.38 Favored 'General case' 0 N--CA 1.432 -1.349 1 C-N-CA 134.454 5.102 . . . . 25.0 115.094 -171.438 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' GLY . . . . . 0.682 ' O ' ' CB ' ' B' ' 44' ' ' CYS . . . 158.58 -102.77 0.22 Allowed Glycine 0 N--CA 1.402 -3.586 1 N-CA-C 125.123 4.809 . . . . 25.0 125.123 175.509 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' CYS . . . . . 0.682 ' CB ' ' O ' ' B' ' 43' ' ' GLY . 10.5 p 151.42 131.87 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 CA-C-N 111.57 -2.315 . . . . 25.0 111.165 -170.695 51.846 142.785 -81.872 109.913 1.908 115.4 -92.037 -34.572 2 2 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ALA . . . . . 0.8 ' O ' ' CB ' ' B' ' 46' ' ' ALA . . . -169.63 70.3 0.07 Allowed 'General case' 0 C--N 1.3 -1.586 1 N-CA-C 97.856 -4.868 . . . . 16.61 97.856 178.502 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ALA . . . . . 0.8 ' CB ' ' O ' ' B' ' 45' ' ' ALA . . . 101.48 -174.77 0.0 OUTLIER 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 112.802 -1.999 . . . . 16.85 115.6 177.644 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' THR . . . . . 0.729 ' O ' ' C ' ' B' ' 48' ' ' CYS . 0.4 OUTLIER -54.33 67.56 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.589 3 O-C-N 132.951 6.407 . . . . 25.0 118.735 -164.551 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' CYS . . . . . 0.729 ' C ' ' O ' ' B' ' 47' ' ' THR . 32.3 t 11.64 69.19 0.09 OUTLIER Pre-proline 0 CA--C 1.478 -1.825 0 N-CA-C 102.485 -3.154 . . . . 25.0 102.485 -169.788 173.134 -177.194 -97.346 117.115 1.921 124.212 -23.195 -95.082 2 2 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' PRO . . . . . 0.715 ' CG ' ' CZ ' ' B' ' 24' ' ' TYR . 3.9 Cg_exo -37.42 -36.73 0.38 Allowed 'Trans proline' 0 C--N 1.288 -2.633 0 O-C-N 125.887 2.52 . . . . 25.0 107.68 -171.304 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' SER . . . . . 0.625 ' N ' ' O ' ' B' ' 48' ' ' CYS . 66.1 m 94.02 -95.31 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.884 1 O-C-N 132.379 6.05 . . . . 16.93 105.24 -171.565 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' LYS . . . . . 0.59 ' CB ' ' O ' ' B' ' 50' ' ' SER . 12.1 mttm 128.98 -164.64 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.93 0 O-C-N 127.105 2.753 . . . . 25.0 110.077 179.278 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' LYS . . . . . 1.336 ' CB ' ' CD ' ' B' ' 53' ' ' PRO . 0.0 OUTLIER -144.52 -99.49 0.0 OUTLIER Pre-proline 0 C--N 1.302 -1.465 0 C-N-CA 119.957 -0.697 . . . . 25.0 111.616 -176.643 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' PRO . . . . . 1.336 ' CD ' ' CB ' ' B' ' 52' ' ' LYS 0.788 0.0 OUTLIER -3.56 -62.0 0.0 OUTLIER 'Trans proline' 1 N--CA 1.39 -4.568 3 N-CA-C 136.659 9.446 . . . . 25.0 136.659 -173.526 . . . . . . . . 6 4 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . 0.262 0.3 OUTLIER -106.64 -138.41 0.37 Allowed 'General case' 0 C--O 1.275 2.427 0 CA-C-N 124.742 3.428 . . . . 25.0 116.839 -168.032 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . 0.644 4.5 mt-10 -84.68 -140.45 0.07 Allowed 'General case' 0 C--O 1.297 3.576 0 O-C-N 119.746 -1.847 . . . . 25.0 113.408 179.698 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' GLU . . . . . 0.598 ' O ' ' CB ' ' B' ' 57' ' ' VAL . 15.3 mt-10 -36.41 148.29 0.03 OUTLIER 'General case' 0 C--O 1.262 1.756 0 CA-C-O 126.817 3.198 . . . . 8.04 118.209 -171.264 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' VAL . . . . . 0.598 ' CB ' ' O ' ' B' ' 56' ' ' GLU 0.97 1.9 p -143.5 -159.42 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.301 3.773 0 O-C-N 116.835 -3.665 . . . . 5.0 107.905 175.744 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' THR . . . . . 0.434 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 0.4 OUTLIER 166.43 137.48 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 125.438 3.744 . . . . 6.63 111.1 -172.77 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 1.3 m -127.81 61.8 1.41 Allowed 'General case' 0 C--O 1.186 -2.268 1 N-CA-C 100.073 -4.047 . . . . 15.34 100.073 -178.542 -95.082 -23.195 -97.346 124.212 1.921 117.115 -177.194 173.134 2 2 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' CYS . . . . . 1.183 ' SG ' ' N ' ' B' ' 61' ' ' SER 0.27 0.0 OUTLIER -48.69 -145.05 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.634 1 O-C-N 132.445 6.091 . . . . 8.13 108.497 178.821 133.14 116.163 94.511 97.926 2.083 100.616 175.709 -103.895 5 4 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' SER . . . . . 1.183 ' N ' ' SG ' ' B' ' 60' ' ' CYS . 39.6 t 119.6 52.3 0.0 OUTLIER 'General case' 0 C--O 1.255 1.364 0 CA-C-O 123.106 1.431 . . . . 25.0 112.267 174.124 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' B' ' 63' ' ' ASP . 80.7 p -131.3 3.71 4.31 Favored 'General case' 0 C--O 1.268 2.062 0 CA-C-N 113.08 -1.873 . . . . 20.66 114.076 -177.667 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ASP . . . . . 0.457 ' CB ' ' O ' ' B' ' 62' ' ' THR 0.308 0.4 OUTLIER 151.74 -102.1 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 123.322 1.534 . . . . 25.0 111.142 -178.094 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' LYS . . . . . 0.757 ' CG ' ' CG2' ' B' ' 5' ' ' THR . 14.4 ttmm -95.34 -130.62 0.16 Allowed 'General case' 0 N--CA 1.511 2.612 2 CA-C-O 107.575 -5.964 . . . . 19.92 98.884 177.286 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' CYS . . . . . 0.604 ' CB ' ' O ' ' B' ' 64' ' ' LYS 0.401 0.8 OUTLIER 165.94 -67.89 0.0 OUTLIER 'General case' 0 C--O 1.264 1.817 2 N-CA-C 123.074 4.472 . . . . 9.96 123.074 173.656 -103.895 175.709 94.511 100.616 2.083 97.926 116.163 133.14 5 4 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' ASN . . . . . 0.914 ' ND2' ' N ' ' B' ' 66' ' ' ASN 0.298 0.0 OUTLIER -99.84 50.72 0.92 Allowed 'General case' 1 C--O 1.306 4.027 2 N-CA-C 124.562 5.023 . . . . 25.0 124.562 -170.703 . . . . . . . . 6 4 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' HIS . . . . . 0.494 ' O ' ' CD ' ' B' ' 69' ' ' PRO . 1.3 m80 -92.97 114.88 63.91 Favored Pre-proline 0 N--CA 1.51 2.552 1 O-C-N 115.496 -4.502 . . . . 25.0 104.592 -179.738 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' PRO . . . . . 0.413 ' CD ' ' O ' ' B' ' 66' ' ' ASN . 78.9 Cg_exo -52.54 95.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.813 1 O-C-N 128.863 4.086 . . . . 16.63 106.549 -177.995 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' PRO . . . . . 0.494 ' CD ' ' O ' ' B' ' 67' ' ' HIS . 31.7 Cg_exo -19.92 -66.41 0.03 OUTLIER 'Trans proline' 1 C--O 1.318 4.497 0 C-N-CA 123.379 2.72 . . . . 25.0 115.979 179.589 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . 0.253 0.0 OUTLIER -46.36 -35.78 5.77 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 130.019 3.327 . . . . 25.0 116.973 -168.91 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' ARG . . . . . 0.706 ' CG ' ' CD ' ' B' ' 38' ' ' LYS 0.262 0.0 OUTLIER -149.17 -117.9 0.05 Allowed 'General case' 0 C--O 1.275 2.411 1 CA-C-N 107.717 -4.311 . . . . 25.0 104.326 -164.595 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' GLN . . . . . 0.718 ' CG ' ' O ' ' B' ' 72' ' ' GLN . 9.8 pt20 155.67 113.23 0.0 OUTLIER Pre-proline 0 CA--C 1.572 1.822 0 O-C-N 127.901 3.25 . . . . 25.0 105.92 -179.889 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -21.88 -55.76 0.04 OUTLIER 'Trans proline' 0 C--N 1.291 -2.49 2 C-N-CA 129.478 6.785 . . . . 25.0 114.933 173.484 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.509 3.549 0 C-N-CA 117.782 -2.152 . . . . 25.0 117.986 -177.999 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 500' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ILE . . . . . 0.579 ' C ' HG22 ' A' ' 2' ' ' VAL 0.457 1.2 tt . . . . . 0 N--CA 1.505 2.308 0 N-CA-C 106.538 -1.653 . . . . 25.0 106.538 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . 1.081 HG11 ' N ' ' A' ' 22' ' ' LEU 0.473 0.1 OUTLIER -151.73 -107.32 0.0 OUTLIER 'Isoleucine or valine' 1 C--N 1.428 4.002 0 N-CA-C 120.897 3.666 . . . . 25.0 120.897 -175.444 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 3' ' ' CYS . . . . . 1.171 ' O ' HG22 ' A' ' 15' ' ' THR 0.263 3.8 p -94.41 147.7 22.98 Favored 'General case' 0 C--N 1.249 -3.767 2 O-C-N 134.756 7.535 . . . . 25.0 117.708 -162.928 82.738 -136.06 -78.431 69.913 2.138 108.646 -160.573 -48.862 4 3 . 1 . 001 ecloud build full ' A' A ' 4' ' ' HIS . . . . . 1.352 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -147.7 86.17 1.58 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 127.083 2.74 . . . . 25.0 112.167 -178.178 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . 0.903 ' OG1' ' OD1' ' A' ' 66' ' ' ASN . 23.1 p -163.81 -150.98 0.16 Allowed 'General case' 0 C--O 1.24 0.605 0 O-C-N 128.988 3.93 . . . . 25.0 106.549 -179.348 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' THR . . . . . 1.081 ' HA ' ' OG ' ' A' ' 11' ' ' SER 0.327 10.5 m -57.89 -156.37 0.0 OUTLIER 'General case' 0 CA--C 1.473 -1.981 0 N-CA-C 104.407 -2.442 . . . . 25.0 104.407 170.758 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . 1.032 ' H ' HG22 ' A' ' 6' ' ' THR . . . 107.75 82.02 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 105.872 -1.899 . . . . 18.859999999999999 105.872 -176.595 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . 0.555 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.1 m 61.66 77.99 0.31 Allowed 'General case' 0 C--N 1.294 -1.821 0 CA-C-N 114.522 -1.217 . . . . 21.91 110.938 -175.519 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . 1.325 ' HB ' ' CD ' ' A' ' 10' ' ' PRO 0.435 0.2 OUTLIER 70.38 -137.39 0.0 OUTLIER Pre-proline 0 C--N 1.27 -2.871 4 O-C-N 132.35 6.031 . . . . 25.0 123.311 170.52 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PRO . . . . . 1.325 ' CD ' ' HB ' ' A' ' 9' ' ' ILE 0.37 17.6 Cg_exo -49.83 -19.45 3.74 Favored 'Trans proline' 0 C--O 1.276 2.388 0 CA-C-O 124.955 1.981 . . . . 25.0 108.172 -169.092 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 11' ' ' SER . . . . . 1.081 ' OG ' ' HA ' ' A' ' 6' ' ' THR 0.362 57.9 m 75.12 140.92 0.07 Allowed 'General case' 0 N--CA 1.516 2.833 1 C-N-CA 109.723 -4.791 . . . . 19.300000000000001 108.569 178.756 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . 0.805 ' C ' ' H ' ' A' ' 14' ' ' VAL 0.293 0.3 OUTLIER -159.68 27.98 0.19 Allowed 'General case' 0 C--N 1.31 -1.11 0 CA-C-O 128.316 3.913 . . . . 12.880000000000001 108.806 -179.72 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ALA . . . . . 1.352 ' HB1' ' CE1' ' A' ' 4' ' ' HIS 0.277 . . 70.14 -22.33 0.17 Allowed 'General case' 0 C--O 1.245 0.848 1 CA-C-N 106.296 -4.957 . . . . 25.0 108.679 175.461 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 14' ' ' VAL . . . . . 0.805 ' H ' ' C ' ' A' ' 12' ' ' SER . 20.8 t 30.74 -80.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.266 1.969 0 CA-C-N 108.539 -3.937 . . . . 25.0 111.546 178.597 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' THR . . . . . 1.171 HG22 ' O ' ' A' ' 3' ' ' CYS 0.473 6.7 p 79.97 58.67 0.02 OUTLIER 'General case' 0 N--CA 1.414 -2.233 1 CA-C-O 129.135 4.303 . . . . 25.0 107.209 -167.982 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 16' ' ' CYS . . . . . 1.525 ' HB2' ' CD ' ' A' ' 17' ' ' PRO 0.334 0.6 OUTLIER 14.05 -142.35 0.0 OUTLIER Pre-proline 0 N--CA 1.418 -2.055 2 CA-C-N 106.69 -4.777 . . . . 17.859999999999999 122.913 174.106 28.048 140.086 74.312 88.135 2.032 89.248 160.276 -149.974 5 4 . 1 . 001 ecloud build full ' A' A ' 17' ' ' PRO . . . . . 1.525 ' CD ' ' HB2' ' A' ' 16' ' ' CYS . 2.5 Cg_endo -67.21 -135.94 0.01 OUTLIER 'Trans proline' 0 C--O 1.271 2.163 0 C-N-CA 124.632 3.555 . . . . 23.359999999999999 113.564 -171.362 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' PRO . . . . . 1.404 ' CD ' ' HB2' ' A' ' 17' ' ' PRO 0.608 19.0 Cg_endo -100.44 -129.03 0.01 OUTLIER 'Trans proline' 0 N--CA 1.424 -2.593 0 C-N-CA 123.925 3.084 . . . . 25.0 106.794 -175.969 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLY . . . . . 0.74 ' O ' ' CD ' ' A' ' 20' ' ' GLU . . . 73.87 -97.55 0.92 Allowed Glycine 0 N--CA 1.509 3.51 0 O-C-N 126.061 2.101 . . . . 25.0 113.638 172.927 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . 0.74 ' CD ' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER 130.63 91.61 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 113.299 -1.451 . . . . 25.0 107.637 -179.269 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . 0.609 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER 114.6 153.71 0.0 OUTLIER 'General case' 0 C--O 1.247 0.942 1 O-C-N 130.01 4.569 . . . . 25.0 107.462 -175.578 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . 1.138 HD12 ' HB2' ' A' ' 61' ' ' SER . 0.1 OUTLIER 50.99 175.93 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.264 4 O-C-N 136.781 8.801 . . . . 17.210000000000001 123.394 171.425 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 23' ' ' CYS . . . . . 0.839 ' O ' HD23 ' A' ' 22' ' ' LEU . 24.6 m -155.96 128.07 7.55 Favored 'General case' 0 C--N 1.348 0.541 2 O-C-N 131.515 5.509 . . . . 23.050000000000001 108.467 178.828 -48.862 -160.573 -78.431 108.646 2.138 69.913 -136.06 82.738 3 3 . 1 . 001 ecloud build full ' A' A ' 24' ' ' TYR . . . . . 1.274 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -82.65 102.02 11.2 Favored 'General case' 0 C--O 1.245 0.866 2 C-N-CA 132.287 4.235 . . . . 25.0 118.79 -172.719 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.26 142.79 30.86 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-O 114.702 -2.57 . . . . 25.0 105.635 -178.768 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . 1.235 ' CG ' HG13 ' A' ' 57' ' ' VAL . 35.6 tttt -169.8 121.46 0.69 Allowed 'General case' 0 CA--C 1.469 -2.14 0 O-C-N 127.563 3.039 . . . . 17.079999999999998 114.782 176.796 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' MET . . . . . 0.998 ' HG3' ' H ' ' A' ' 28' ' ' TRP . 1.9 ttt 114.75 170.62 0.0 OUTLIER 'General case' 0 C--O 1.206 -1.189 0 N-CA-C 117.202 2.297 . . . . 7.75 117.202 172.64 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' TRP . . . . . 0.998 ' H ' ' HG3' ' A' ' 27' ' ' MET . 2.2 t90 163.21 -66.41 0.0 OUTLIER 'General case' 0 C--O 1.257 1.485 0 CA-C-N 109.288 -3.596 . . . . 25.0 115.012 177.474 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' CYS . . . . . 1.061 ' O ' ' SG ' ' A' ' 33' ' ' CYS 0.71 1.7 t -90.76 45.03 1.23 Allowed 'General case' 0 C--O 1.294 3.433 1 N-CA-C 131.757 7.688 . . . . 25.0 131.757 -173.212 -148.959 -101.879 -125.776 100.727 2.036 99.439 -88.127 -50.938 4 3 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ASP . . . . . 0.657 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER 35.09 -88.71 0.01 OUTLIER 'General case' 0 C--O 1.276 2.456 2 CA-C-O 129.513 4.483 . . . . 25.0 113.899 177.307 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 30' ' ' ASP 0.268 . . 162.39 10.69 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 CA-C-O 112.431 -3.652 . . . . 25.0 103.165 174.853 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 32' ' ' PHE . . . . . 0.606 ' C ' ' H ' ' A' ' 34' ' ' SER . 1.1 p90 -130.72 75.82 1.68 Allowed 'General case' 0 CA--C 1.577 1.991 2 O-C-N 139.677 10.611 . . . . 25.0 108.184 173.893 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 33' ' ' CYS . . . . . 1.061 ' SG ' ' O ' ' A' ' 29' ' ' CYS 0.595 34.3 m -86.23 53.06 2.66 Favored 'General case' 0 N--CA 1.533 3.696 1 CA-C-O 133.913 6.577 . . . . 25.0 103.443 178.867 -50.938 -88.127 -125.776 99.439 2.036 100.727 -101.879 -148.959 4 3 . 1 . 001 ecloud build full ' A' A ' 34' ' ' SER . . . . . 0.761 ' O ' ' HB2' ' A' ' 35' ' ' SER . 10.3 p -93.55 32.4 1.39 Allowed 'General case' 0 C--N 1.381 1.965 0 CA-C-N 108.769 -3.832 . . . . 25.0 104.298 179.06 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' SER . . . . . 0.761 ' HB2' ' O ' ' A' ' 34' ' ' SER . 14.1 m 112.36 -171.33 0.0 OUTLIER 'General case' 0 C--O 1.243 0.761 1 O-C-N 131.384 5.427 . . . . 25.0 111.688 176.215 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 39.01 -142.03 0.03 OUTLIER 'General case' 0 C--O 1.3 3.759 0 C-N-CA 130.69 3.596 . . . . 25.0 113.387 -178.01 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.56 80.6 0.05 OUTLIER Glycine 0 N--CA 1.489 2.194 0 O-C-N 126.182 2.176 . . . . 25.0 113.339 -179.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.5 60.02 0.49 Allowed 'General case' 0 C--O 1.259 1.582 0 CA-C-O 127.113 3.34 . . . . 25.0 113.174 -168.832 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' VAL . . . . . 0.469 ' O ' ' HG2' ' A' ' 27' ' ' MET 0.441 0.8 OUTLIER -137.48 90.8 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.253 1.286 0 N-CA-C 101.516 -3.512 . . . . 25.0 101.516 167.681 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . 0.366 20.8 m -108.11 -179.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.97 1 CA-C-O 129.761 4.6 . . . . 25.0 117.667 -175.793 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLU . . . . . 0.885 ' C ' HD22 ' A' ' 42' ' ' LEU . 1.4 tp10 -128.77 156.23 43.88 Favored 'General case' 0 C--O 1.261 1.694 1 C-N-CA 136.062 5.745 . . . . 25.0 103.588 175.078 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . 1.446 ' CB ' HD22 ' A' ' 66' ' ' ASN . 0.3 OUTLIER 151.11 55.32 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.38 0 O-C-N 126.422 2.326 . . . . 25.0 108.841 -175.043 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLY . . . . . 0.838 ' O ' ' HB2' ' A' ' 44' ' ' CYS . . . -116.7 -90.8 1.58 Allowed Glycine 0 C--O 1.267 2.187 0 CA-C-N 111.728 -2.487 . . . . 24.210000000000001 117.989 -179.059 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' CYS . . . . . 0.956 ' SG ' ' HD2' ' A' ' 17' ' ' PRO . 1.8 t 154.22 150.21 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 124.928 2.299 . . . . 25.0 111.3 -165.983 -149.974 160.276 74.312 89.248 2.032 88.135 140.086 28.048 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ALA . . . . . 0.841 ' HB2' ' O ' ' A' ' 44' ' ' CYS . . . 172.34 40.82 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 113.971 -3.092 . . . . 14.07 108.559 -174.369 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 45' ' ' ALA . . . 109.0 -112.6 0.0 OUTLIER 'General case' 0 C--O 1.253 1.248 0 O-C-N 127.533 3.021 . . . . 13.210000000000001 110.132 -179.735 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . 0.75 ' O ' ' N ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -120.85 62.95 0.87 Allowed 'General case' 0 C--O 1.268 2.032 1 N-CA-C 123.519 4.637 . . . . 25.0 123.519 -170.245 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 48' ' ' CYS . . . . . 0.923 ' O ' ' N ' ' A' ' 50' ' ' SER 0.313 0.7 OUTLIER 13.29 55.24 0.05 OUTLIER Pre-proline 0 N--CA 1.491 1.58 0 CA-C-N 113.9 -1.5 . . . . 25.0 107.737 174.27 155.537 -170.792 -98.707 151.001 2.126 112.503 49.889 -142.264 4 4 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PRO . . . . . 0.75 ' N ' ' O ' ' A' ' 47' ' ' THR 0.274 8.0 Cg_exo -21.51 -27.77 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.176 0 C-N-CA 124.355 3.37 . . . . 25.0 108.186 172.297 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 50' ' ' SER . . . . . 1.283 ' O ' ' HG3' ' A' ' 51' ' ' LYS 0.31 9.5 p 115.79 -86.07 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 108.633 -3.894 . . . . 21.100000000000001 102.895 -174.403 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LYS . . . . . 1.283 ' HG3' ' O ' ' A' ' 50' ' ' SER 0.324 15.7 mttp 141.97 -140.8 0.0 OUTLIER 'General case' 0 C--O 1.281 2.741 0 C-N-CA 129.277 3.031 . . . . 25.0 114.4 173.435 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LYS . . . . . 1.207 ' HB3' ' CD ' ' A' ' 53' ' ' PRO 0.549 3.2 mptt -126.44 -161.11 0.04 OUTLIER Pre-proline 0 C--O 1.29 3.201 0 O-C-N 116.651 -3.781 . . . . 25.0 118.86 179.499 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 53' ' ' PRO . . . . . 1.207 ' CD ' ' HB3' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -85.68 -24.39 1.87 Allowed 'Trans proline' 0 C--O 1.282 2.685 2 C-N-CA 131.527 8.152 . . . . 25.0 124.113 -170.281 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 54' ' ' TYR . . . . . 0.965 ' O ' ' O ' ' A' ' 53' ' ' PRO 0.671 0.1 OUTLIER -29.9 175.48 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 122.336 2.335 . . . . 25.0 107.423 169.032 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLU . . . . . 0.877 ' O ' ' O ' ' A' ' 54' ' ' TYR 0.419 2.5 mt-10 -56.34 -127.06 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.81 1 O-C-N 114.511 -5.118 . . . . 18.0 108.491 -168.525 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . 0.402 ' HG2' ' HB3' ' A' ' 55' ' ' GLU . 3.7 mt-10 -36.81 120.26 0.7 Allowed 'General case' 0 C--N 1.274 -2.711 1 C-N-CA 142.125 8.17 . . . . 25.0 120.434 -176.844 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 57' ' ' VAL . . . . . 1.235 HG13 ' CG ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -139.13 -160.63 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 O-C-N 118.454 -2.654 . . . . 17.420000000000002 116.093 174.797 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 58' ' ' THR . . . . . 0.633 ' OG1' ' N ' ' A' ' 59' ' ' CYS 0.781 2.8 t 152.27 -162.56 0.0 OUTLIER 'General case' 0 N--CA 1.411 -2.411 1 C-N-CA 133.214 4.606 . . . . 25.0 118.27 170.155 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 59' ' ' CYS . . . . . 0.633 ' N ' ' OG1' ' A' ' 58' ' ' THR . 0.5 OUTLIER -162.58 82.15 0.52 Allowed 'General case' 0 CA--C 1.569 1.7 2 C-N-CA 135.517 5.527 . . . . 14.19 114.544 -172.985 -142.264 49.889 -98.707 112.503 2.126 151.001 -170.792 155.537 4 4 . 1 . 001 ecloud build full ' A' A ' 60' ' ' CYS . . . . . 1.281 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -62.26 -136.1 0.0 OUTLIER 'General case' 0 C--O 1.253 1.282 1 CA-C-O 109.77 -4.919 . . . . 25.0 111.231 176.718 -117.871 -150.481 -48.338 96.701 2.313 99.344 -155.189 -91.049 4 4 . 1 . 001 ecloud build full ' A' A ' 61' ' ' SER . . . . . 1.138 ' HB2' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER 127.31 30.72 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.998 0 O-C-N 128.377 3.548 . . . . 17.5 112.273 173.905 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . 0.375 0.0 OUTLIER -100.64 -1.75 34.5 Favored 'General case' 0 C--O 1.276 2.484 0 N-CA-C 118.532 2.79 . . . . 25.0 118.532 -165.451 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . 0.263 0.0 OUTLIER 157.31 -83.59 0.0 OUTLIER 'General case' 0 C--N 1.282 -2.367 2 C-N-CA 135.937 5.695 . . . . 25.0 101.507 179.469 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LYS . . . . . 0.754 ' HG3' ' N ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -112.01 -146.44 0.41 Allowed 'General case' 0 C--N 1.277 -2.55 2 O-C-N 136.926 8.892 . . . . 25.0 108.665 -176.172 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 65' ' ' CYS . . . . . 1.281 ' SG ' ' SG ' ' A' ' 60' ' ' CYS 0.583 1.6 m 165.65 -24.37 0.0 OUTLIER 'General case' 0 C--O 1.296 3.545 1 N-CA-C 127.98 6.289 . . . . 25.0 127.98 170.925 -91.049 -155.189 -48.338 99.344 2.313 96.701 -150.481 -117.871 4 3 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASN . . . . . 1.446 HD22 ' CB ' ' A' ' 42' ' ' LEU 0.614 23.6 p-10 -111.93 -30.75 7.16 Favored 'General case' 0 C--O 1.301 3.783 2 N-CA-C 132.2 7.852 . . . . 25.0 132.2 -167.427 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 67' ' ' HIS . . . . . 0.746 ' C ' ' O ' ' A' ' 66' ' ' ASN 0.306 0.8 OUTLIER -20.36 130.43 0.05 OUTLIER Pre-proline 0 C--O 1.252 1.194 3 CA-C-N 127.893 4.86 . . . . 22.25 105.767 177.968 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 68' ' ' PRO . . . . . 0.626 ' O ' ' HD2' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -109.86 138.11 0.04 OUTLIER 'Trans proline' 0 C--N 1.303 -1.849 2 O-C-N 130.93 5.174 . . . . 25.0 116.32 -177.25 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 69' ' ' PRO . . . . . 0.646 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 4.0 Cg_exo -16.97 -178.87 0.0 OUTLIER 'Trans proline' 0 N--CA 1.42 -2.827 2 C-N-CA 133.364 9.376 . . . . 25.0 124.344 170.692 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LYS . . . . . 0.822 ' HZ2' ' HB3' ' A' ' 70' ' ' LYS 0.596 0.2 OUTLIER 42.42 -115.75 0.34 Allowed 'General case' 0 C--O 1.292 3.306 2 CA-C-O 106.716 -6.373 . . . . 19.850000000000001 105.217 -175.443 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ARG . . . . . 0.794 ' HB2' ' O ' ' A' ' 70' ' ' LYS . 1.5 mtt85 79.17 -177.4 0.09 Allowed 'General case' 0 C--N 1.298 -1.647 2 CA-C-N 131.336 6.425 . . . . 25.0 118.352 172.227 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLN . . . . . 1.094 ' HA ' ' OE1' ' A' ' 72' ' ' GLN 0.418 0.1 OUTLIER -154.98 120.38 2.61 Favored Pre-proline 0 C--O 1.278 2.582 0 CA-C-N 109.717 -3.402 . . . . 25.0 114.37 -159.29 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 73' ' ' PRO . . . . . 0.912 ' HD2' ' OE1' ' A' ' 72' ' ' GLN 0.474 0.2 OUTLIER -15.67 51.83 0.0 OUTLIER 'Trans proline' 0 N--CA 1.426 -2.466 2 C-N-CA 131.035 7.823 . . . . 25.0 119.911 -174.405 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 C--O 1.306 4.642 0 O-C-N 118.815 -2.428 . . . . 25.0 111.89 177.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ILE . . . . . 0.67 ' O ' HG13 ' B' ' 1' ' ' ILE 0.438 0.5 OUTLIER . . . . . 0 C--O 1.245 0.818 0 CA-C-O 128.43 3.967 . . . . 7.3200000000000003 111.172 . . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . 0.748 HG12 ' SG ' ' B' ' 3' ' ' CYS . 0.0 OUTLIER -92.0 165.8 1.88 Allowed 'Isoleucine or valine' 0 C--O 1.278 2.581 1 CA-C-N 106.294 -4.957 . . . . 25.0 106.146 173.359 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 3' ' ' CYS . . . . . 0.748 ' SG ' HG12 ' B' ' 2' ' ' VAL 0.669 3.4 m -6.2 117.69 0.01 OUTLIER 'General case' 0 C--N 1.261 -3.274 2 C-N-CA 143.955 8.902 . . . . 17.539999999999999 114.693 173.827 -37.918 -65.752 -105.512 106.601 1.986 101.973 -59.557 -60.08 4 3 . 1 . 001 ecloud build full ' B' B ' 4' ' ' HIS . . . . . 1.065 ' HB3' ' HZ3' ' B' ' 64' ' ' LYS . 59.8 t-80 -103.06 93.09 4.83 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 127.87 3.231 . . . . 25.0 106.51 174.092 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' THR . . . . . 0.971 HG23 ' HG3' ' B' ' 64' ' ' LYS . 69.4 p -167.52 -144.83 0.06 Allowed 'General case' 0 CA--C 1.558 1.281 0 CA-C-N 110.035 -3.257 . . . . 17.420000000000002 102.991 177.146 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' THR . . . . . 0.833 ' CG2' ' HB2' ' B' ' 42' ' ' LEU . 1.1 t -73.09 152.92 41.02 Favored 'General case' 0 CA--C 1.578 2.035 1 O-C-N 130.33 4.768 . . . . 25.0 101.859 170.447 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ALA . . . . . 1.211 ' O ' HG21 ' B' ' 14' ' ' VAL . . . 167.94 60.22 0.0 OUTLIER 'General case' 0 C--N 1.268 -2.976 1 N-CA-C 98.749 -4.537 . . . . 8.9499999999999993 98.749 179.046 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 8' ' ' THR . . . . . 0.59 ' O ' ' O ' ' B' ' 9' ' ' ILE 0.516 1.9 m 91.03 130.82 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.378 3 CA-C-N 104.46 -5.791 . . . . 25.0 118.189 177.484 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ILE . . . . . 1.076 ' HB ' ' CD ' ' B' ' 10' ' ' PRO . 0.0 OUTLIER 21.29 -159.11 0.0 OUTLIER Pre-proline 0 C--O 1.273 2.325 2 C-N-CA 136.743 6.017 . . . . 25.0 108.639 -176.591 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 10' ' ' PRO . . . . . 1.076 ' CD ' ' HB ' ' B' ' 9' ' ' ILE 0.445 5.6 Cg_exo -20.86 83.01 0.0 OUTLIER 'Trans proline' 0 N--CA 1.505 2.203 1 CA-C-O 131.264 4.61 . . . . 25.0 102.32 -174.796 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 11' ' ' SER . . . . . 1.03 ' N ' ' O ' ' B' ' 9' ' ' ILE . 50.5 m -52.51 115.61 1.86 Allowed 'General case' 0 C--O 1.251 1.148 1 CA-C-N 105.376 -5.374 . . . . 25.0 108.67 177.981 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.48 68.16 0.35 Allowed 'General case' 0 CA--C 1.567 1.604 0 C-N-CA 124.537 1.135 . . . . 25.0 110.858 172.688 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ALA . . . . . 0.827 ' HB2' ' CD2' ' B' ' 4' ' ' HIS 0.368 . . 59.03 -45.38 0.07 Allowed 'General case' 0 N--CA 1.386 -3.632 2 C-N-CA 142.247 8.219 . . . . 18.390000000000001 118.096 -175.495 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 14' ' ' VAL . . . . . 1.211 HG21 ' O ' ' B' ' 7' ' ' ALA 0.291 42.3 t 74.25 -59.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.284 -2.243 2 C-N-CA 136.264 5.825 . . . . 24.579999999999998 113.022 -176.801 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 73.79 29.91 1.42 Allowed 'General case' 0 C--O 1.295 3.496 0 CA-C-O 124.004 1.859 . . . . 25.0 111.015 -178.481 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' CYS . . . . . 1.26 ' CB ' ' HD3' ' B' ' 17' ' ' PRO 0.574 2.7 m 53.45 -159.35 0.01 OUTLIER Pre-proline 0 C--O 1.255 1.347 0 C-N-CA 130.58 3.552 . . . . 13.869999999999999 116.501 -178.689 -34.572 -92.037 -81.872 115.4 1.908 109.913 142.785 51.846 3 3 . 1 . 001 ecloud build full ' B' B ' 17' ' ' PRO . . . . . 1.26 ' HD3' ' CB ' ' B' ' 16' ' ' CYS 0.332 18.7 Cg_endo -122.52 -156.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.281 -2.986 2 C-N-CA 134.925 10.417 . . . . 7.5899999999999999 94.397 -177.446 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 18' ' ' PRO . . . . . 1.054 ' HD2' ' HB2' ' B' ' 17' ' ' PRO . 5.7 Cg_exo -61.69 157.31 42.99 Favored 'Trans proline' 0 C--N 1.286 -2.722 1 O-C-N 131.576 5.514 . . . . 21.789999999999999 108.608 -174.315 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 19' ' ' GLY . . . . . 0.487 ' O ' ' HB2' ' B' ' 20' ' ' GLU . . . 146.62 -104.79 0.3 Allowed Glycine 0 N--CA 1.488 2.155 0 C-N-CA 117.153 -2.451 . . . . 25.0 117.168 175.031 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' B' ' 19' ' ' GLY . 0.0 OUTLIER 102.92 119.86 0.01 OUTLIER 'General case' 0 C--O 1.269 2.086 0 CA-C-O 123.989 1.852 . . . . 25.0 106.898 -176.576 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASN . . . . . 0.474 ' OD1' HD13 ' B' ' 22' ' ' LEU . 0.0 OUTLIER 82.71 141.76 0.07 Allowed 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 112.27 -2.241 . . . . 25.0 110.5 -178.508 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LEU . . . . . 0.632 ' HA ' ' HB2' ' B' ' 61' ' ' SER 0.452 0.0 OUTLIER 61.75 137.85 0.01 OUTLIER 'General case' 1 C--O 1.332 5.407 1 C-N-CA 143.091 8.556 . . . . 25.0 120.617 -177.485 . . . . . . . . 6 4 . 1 . 001 ecloud build full ' B' B ' 23' ' ' CYS . . . . . 0.998 ' HB2' ' SG ' ' B' ' 60' ' ' CYS . 82.5 m -108.88 112.46 24.71 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 113.485 -3.15 . . . . 15.789999999999999 107.165 175.006 -60.08 -59.557 -105.512 101.973 1.986 106.601 -65.752 -37.918 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' TYR . . . . . 1.104 ' CZ ' ' HG2' ' B' ' 49' ' ' PRO 0.36 2.6 p90 -105.42 138.02 42.29 Favored 'General case' 0 C--O 1.279 2.645 0 CA-C-N 122.903 2.592 . . . . 25.0 117.407 179.384 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ARG . . . . . 0.882 ' HD2' ' HB3' ' B' ' 66' ' ' ASN . 11.2 mtp-105 -120.69 159.97 24.26 Favored 'General case' 0 C--O 1.195 -1.792 0 O-C-N 118.738 -2.476 . . . . 25.0 115.842 -175.958 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LYS . . . . . 0.475 ' O ' ' HG3' ' B' ' 27' ' ' MET . 81.9 tttt -165.58 153.03 10.58 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 126.662 1.985 . . . . 19.449999999999999 113.66 178.724 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' MET . . . . . 0.475 ' HG3' ' O ' ' B' ' 26' ' ' LYS 0.401 0.0 OUTLIER 77.25 148.73 0.1 Allowed 'General case' 0 C--N 1.294 -1.81 1 C-N-CA 135.962 5.705 . . . . 18.73 115.649 173.951 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' B' B ' 28' ' ' TRP . . . . . 0.8 ' HH2' ' HD2' ' B' ' 69' ' ' PRO 0.31 0.5 OUTLIER -140.23 -55.44 0.53 Allowed 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 116.854 2.168 . . . . 25.0 116.854 178.459 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 29' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' B' ' 31' ' ' ALA . 37.7 t -113.46 106.43 14.55 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 118.815 -2.428 . . . . 21.280000000000001 107.843 175.025 174.729 -122.169 -114.64 118.403 2.246 89.52 -72.67 -29.512 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ASP . . . . . 0.933 ' O ' ' HB2' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -26.66 -39.29 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.905 0 O-C-N 126.877 2.611 . . . . 21.789999999999999 112.571 -177.92 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ALA . . . . . 0.933 ' HB2' ' O ' ' B' ' 30' ' ' ASP . . . 136.56 -3.92 0.0 OUTLIER 'General case' 0 C--N 1.284 -2.256 0 C-N-CA 118.715 -1.194 . . . . 24.780000000000001 110.186 -178.944 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.3 70.08 1.23 Allowed 'General case' 0 CA--C 1.592 2.59 0 CA-C-N 115.134 -0.939 . . . . 21.48 108.557 177.077 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . 0.311 1.6 m -71.31 99.07 1.87 Allowed 'General case' 0 N--CA 1.483 1.194 0 O-C-N 128.309 3.506 . . . . 25.0 109.308 -176.776 -29.512 -72.67 -114.64 89.52 2.246 118.403 -122.169 174.729 2 2 . 1 . 001 ecloud build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 2.4 m -170.47 45.95 0.03 OUTLIER 'General case' 0 N--CA 1.402 -2.836 2 O-C-N 136.388 8.555 . . . . 15.6 105.854 -178.648 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 35' ' ' SER . . . . . 0.696 ' O ' ' HG3' ' B' ' 36' ' ' ARG . 1.5 m 58.85 109.63 0.01 OUTLIER 'General case' 1 N--CA 1.56 5.045 1 N-CA-C 122.994 4.442 . . . . 25.0 122.994 171.439 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ARG . . . . . 0.696 ' HG3' ' O ' ' B' ' 35' ' ' SER . 81.5 mtm-85 -170.75 -112.76 0.01 OUTLIER 'General case' 0 N--CA 1.53 3.534 0 O-C-N 127.698 3.124 . . . . 25.0 108.009 174.981 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' B' ' 28' ' ' TRP . . . 111.99 -1.34 27.1 Favored Glycine 0 CA--C 1.557 2.7 0 CA-C-N 115.613 -0.721 . . . . 18.43 114.044 177.515 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 38' ' ' LYS . . . . . 1.168 ' HD3' ' HG3' ' B' ' 71' ' ' ARG . 0.6 OUTLIER -96.13 68.59 2.69 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 127.662 3.601 . . . . 23.149999999999999 110.61 -179.168 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 39' ' ' VAL . . . . . 0.46 ' O ' ' SD ' ' B' ' 27' ' ' MET . 0.1 OUTLIER -170.16 92.35 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.601 2.912 0 N-CA-C 103.548 -2.76 . . . . 25.0 103.548 177.891 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 40' ' ' VAL . . . . . 0.65 ' HB ' HD11 ' B' ' 42' ' ' LEU . 0.0 OUTLIER -132.52 176.41 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.118 4 O-C-N 137.37 9.169 . . . . 25.0 120.693 -167.941 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 41' ' ' GLU . . . . . 1.022 ' C ' HD12 ' B' ' 42' ' ' LEU . 46.6 tt0 -163.73 118.02 1.55 Allowed 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 109.154 -3.657 . . . . 25.0 106.353 -179.401 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 42' ' ' LEU . . . . . 1.022 HD12 ' C ' ' B' ' 41' ' ' GLU 0.266 0.0 OUTLIER -142.56 128.38 19.38 Favored 'General case' 0 N--CA 1.432 -1.349 1 C-N-CA 134.454 5.102 . . . . 25.0 115.094 -171.438 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' B' B ' 43' ' ' GLY . . . . . 0.742 ' O ' ' HB3' ' B' ' 44' ' ' CYS . . . 158.58 -102.77 0.22 Allowed Glycine 0 N--CA 1.402 -3.586 1 N-CA-C 125.123 4.809 . . . . 25.0 125.123 175.509 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 44' ' ' CYS . . . . . 0.742 ' HB3' ' O ' ' B' ' 43' ' ' GLY . 10.5 p 151.42 131.87 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 CA-C-N 111.57 -2.315 . . . . 25.0 111.165 -170.695 51.846 142.785 -81.872 109.913 1.908 115.4 -92.037 -34.572 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ALA . . . . . 0.881 ' O ' ' HB3' ' B' ' 46' ' ' ALA . . . -169.63 70.3 0.07 Allowed 'General case' 0 C--N 1.3 -1.586 1 N-CA-C 97.856 -4.868 . . . . 16.609999999999999 97.856 178.502 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ALA . . . . . 0.881 ' HB3' ' O ' ' B' ' 45' ' ' ALA . . . 101.48 -174.77 0.0 OUTLIER 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 112.802 -1.999 . . . . 16.850000000000001 115.6 177.644 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 47' ' ' THR . . . . . 0.729 ' O ' ' C ' ' B' ' 48' ' ' CYS . 0.4 OUTLIER -54.33 67.56 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.589 3 O-C-N 132.951 6.407 . . . . 25.0 118.735 -164.551 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 48' ' ' CYS . . . . . 0.729 ' C ' ' O ' ' B' ' 47' ' ' THR . 32.3 t 11.64 69.19 0.09 OUTLIER Pre-proline 0 CA--C 1.478 -1.825 0 N-CA-C 102.485 -3.154 . . . . 25.0 102.485 -169.788 173.134 -177.194 -97.346 117.115 1.921 124.212 -23.195 -95.082 2 2 . 1 . 001 ecloud build full ' B' B ' 49' ' ' PRO . . . . . 1.104 ' HG2' ' CZ ' ' B' ' 24' ' ' TYR . 3.9 Cg_exo -37.42 -36.73 0.38 Allowed 'Trans proline' 0 C--N 1.288 -2.633 0 O-C-N 125.887 2.52 . . . . 25.0 107.68 -171.304 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 50' ' ' SER . . . . . 0.8 ' O ' ' HB2' ' B' ' 51' ' ' LYS . 66.1 m 94.02 -95.31 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.884 1 O-C-N 132.379 6.05 . . . . 16.93 105.24 -171.565 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 51' ' ' LYS . . . . . 0.8 ' HB2' ' O ' ' B' ' 50' ' ' SER . 12.1 mttm 128.98 -164.64 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.93 0 O-C-N 127.105 2.753 . . . . 25.0 110.077 179.278 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 52' ' ' LYS . . . . . 1.519 ' HB2' ' CD ' ' B' ' 53' ' ' PRO . 0.0 OUTLIER -144.52 -99.49 0.0 OUTLIER Pre-proline 0 C--N 1.302 -1.465 0 C-N-CA 119.957 -0.697 . . . . 25.0 111.616 -176.643 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 53' ' ' PRO . . . . . 1.519 ' CD ' ' HB2' ' B' ' 52' ' ' LYS 0.788 0.0 OUTLIER -3.56 -62.0 0.0 OUTLIER 'Trans proline' 1 N--CA 1.39 -4.568 3 N-CA-C 136.659 9.446 . . . . 25.0 136.659 -173.526 . . . . . . . . 6 4 . 1 . 001 ecloud build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . 0.262 0.3 OUTLIER -106.64 -138.41 0.37 Allowed 'General case' 0 C--O 1.275 2.427 0 CA-C-N 124.742 3.428 . . . . 25.0 116.839 -168.032 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . 0.644 4.5 mt-10 -84.68 -140.45 0.07 Allowed 'General case' 0 C--O 1.297 3.576 0 O-C-N 119.746 -1.847 . . . . 25.0 113.408 179.698 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 56' ' ' GLU . . . . . 0.916 ' O ' ' HB ' ' B' ' 57' ' ' VAL . 15.3 mt-10 -36.41 148.29 0.03 OUTLIER 'General case' 0 C--O 1.262 1.756 0 CA-C-O 126.817 3.198 . . . . 8.0399999999999991 118.209 -171.264 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 57' ' ' VAL . . . . . 0.916 ' HB ' ' O ' ' B' ' 56' ' ' GLU 0.97 1.9 p -143.5 -159.42 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.301 3.773 0 O-C-N 116.835 -3.665 . . . . 5.0 107.905 175.744 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 58' ' ' THR . . . . . 0.757 HG21 HH11 ' B' ' 25' ' ' ARG . 0.4 OUTLIER 166.43 137.48 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 125.438 3.744 . . . . 6.6299999999999999 111.1 -172.77 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 1.3 m -127.81 61.8 1.41 Allowed 'General case' 0 C--O 1.186 -2.268 1 N-CA-C 100.073 -4.047 . . . . 15.34 100.073 -178.542 -95.082 -23.195 -97.346 124.212 1.921 117.115 -177.194 173.134 2 2 . 1 . 001 ecloud build full ' B' B ' 60' ' ' CYS . . . . . 1.154 ' SG ' ' N ' ' B' ' 61' ' ' SER 0.27 0.0 OUTLIER -48.69 -145.05 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.634 1 O-C-N 132.445 6.091 . . . . 8.1300000000000008 108.497 178.821 133.14 116.163 94.511 97.926 2.083 100.616 175.709 -103.895 5 4 . 1 . 001 ecloud build full ' B' B ' 61' ' ' SER . . . . . 1.154 ' N ' ' SG ' ' B' ' 60' ' ' CYS . 39.6 t 119.6 52.3 0.0 OUTLIER 'General case' 0 C--O 1.255 1.364 0 CA-C-O 123.106 1.431 . . . . 25.0 112.267 174.124 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 62' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' B' ' 63' ' ' ASP . 80.7 p -131.3 3.71 4.31 Favored 'General case' 0 C--O 1.268 2.062 0 CA-C-N 113.08 -1.873 . . . . 20.66 114.076 -177.667 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ASP . . . . . 0.459 ' HB3' ' H ' ' B' ' 64' ' ' LYS 0.308 0.4 OUTLIER 151.74 -102.1 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 123.322 1.534 . . . . 25.0 111.142 -178.094 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 64' ' ' LYS . . . . . 1.065 ' HZ3' ' HB3' ' B' ' 4' ' ' HIS . 14.4 ttmm -95.34 -130.62 0.16 Allowed 'General case' 0 N--CA 1.511 2.612 2 CA-C-O 107.575 -5.964 . . . . 19.920000000000002 98.884 177.286 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 65' ' ' CYS . . . . . 0.604 ' CB ' ' O ' ' B' ' 64' ' ' LYS 0.401 0.8 OUTLIER 165.94 -67.89 0.0 OUTLIER 'General case' 0 C--O 1.264 1.817 2 N-CA-C 123.074 4.472 . . . . 9.9600000000000009 123.074 173.656 -103.895 175.709 94.511 100.616 2.083 97.926 116.163 133.14 5 4 . 1 . 001 ecloud build full ' B' B ' 66' ' ' ASN . . . . . 0.945 HD21 ' HB3' ' B' ' 42' ' ' LEU 0.298 25.4 p-10 -99.84 50.72 0.92 Allowed 'General case' 1 C--O 1.306 4.027 2 N-CA-C 124.562 5.023 . . . . 25.0 124.562 -170.703 . . . . . . . . 5 3 . 1 . 001 ecloud build full ' B' B ' 67' ' ' HIS . . . . . 0.666 ' O ' ' HD3' ' B' ' 69' ' ' PRO . 1.3 m80 -92.97 114.88 63.91 Favored Pre-proline 0 N--CA 1.51 2.552 1 O-C-N 115.496 -4.502 . . . . 25.0 104.592 -179.738 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 68' ' ' PRO . . . . . 0.781 ' HD3' ' O ' ' B' ' 66' ' ' ASN . 78.9 Cg_exo -52.54 95.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.813 1 O-C-N 128.863 4.086 . . . . 16.629999999999999 106.549 -177.995 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 69' ' ' PRO . . . . . 0.8 ' HD2' ' HH2' ' B' ' 28' ' ' TRP . 31.7 Cg_exo -19.92 -66.41 0.03 OUTLIER 'Trans proline' 1 C--O 1.318 4.497 0 C-N-CA 123.379 2.72 . . . . 25.0 115.979 179.589 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . 0.253 0.0 OUTLIER -46.36 -35.78 5.77 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 130.019 3.327 . . . . 25.0 116.973 -168.91 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 71' ' ' ARG . . . . . 1.168 ' HG3' ' HD3' ' B' ' 38' ' ' LYS 0.262 0.0 OUTLIER -149.17 -117.9 0.05 Allowed 'General case' 0 C--O 1.275 2.411 1 CA-C-N 107.717 -4.311 . . . . 25.0 104.326 -164.595 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' B' B ' 72' ' ' GLN . . . . . 0.718 ' CG ' ' O ' ' B' ' 72' ' ' GLN . 9.8 pt20 155.67 113.23 0.0 OUTLIER Pre-proline 0 CA--C 1.572 1.822 0 O-C-N 127.901 3.25 . . . . 25.0 105.92 -179.889 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 73' ' ' PRO . . . . . 0.608 ' HD2' ' HD2' ' B' ' 68' ' ' PRO . 6.6 Cg_exo -21.88 -55.76 0.04 OUTLIER 'Trans proline' 0 C--N 1.291 -2.49 2 C-N-CA 129.478 6.785 . . . . 25.0 114.933 173.484 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.509 3.549 0 C-N-CA 117.782 -2.152 . . . . 25.0 117.986 -177.999 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 200' ' ' HOH . . . . . 0.443 ' O ' ' HA ' ' A' ' 39' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . 0.819 ' O ' ' HB3' ' A' ' 53' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 500' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.579 ' C ' HG22 ' A' ' 2' ' ' VAL 0.457 1.2 tt . . . . . 0 N--CA 1.505 2.308 0 N-CA-C 106.538 -1.653 . . . . 25.0 106.538 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . 1.081 HG11 ' N ' ' A' ' 22' ' ' LEU 0.473 0.1 OUTLIER -151.73 -107.32 0.0 OUTLIER 'Isoleucine or valine' 1 C--N 1.428 4.002 0 N-CA-C 120.897 3.666 . . . . 25.0 120.897 -175.444 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.171 ' O ' HG22 ' A' ' 15' ' ' THR 0.263 3.8 p -94.41 147.7 22.98 Favored 'General case' 0 C--N 1.249 -3.767 2 O-C-N 134.756 7.535 . . . . 25.0 117.708 -162.928 82.738 -136.06 -78.431 69.913 2.138 108.646 -160.573 -48.862 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' HIS . . . . . 1.352 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -147.7 86.17 1.58 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 127.083 2.74 . . . . 25.0 112.167 -178.178 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . 0.903 ' OG1' ' OD1' ' A' ' 66' ' ' ASN . 23.1 p -163.81 -150.98 0.16 Allowed 'General case' 0 C--O 1.24 0.605 0 O-C-N 128.988 3.93 . . . . 25.0 106.549 -179.348 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' THR . . . . . 1.081 ' HA ' ' OG ' ' A' ' 11' ' ' SER 0.327 10.5 m -57.89 -156.37 0.0 OUTLIER 'General case' 0 CA--C 1.473 -1.981 0 N-CA-C 104.407 -2.442 . . . . 25.0 104.407 170.758 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . 1.032 ' H ' HG22 ' A' ' 6' ' ' THR . . . 107.75 82.02 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 105.872 -1.899 . . . . 18.86 105.872 -176.595 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . 0.555 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.1 m 61.66 77.99 0.31 Allowed 'General case' 0 C--N 1.294 -1.821 0 CA-C-N 114.522 -1.217 . . . . 21.91 110.938 -175.519 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.325 ' HB ' ' CD ' ' A' ' 10' ' ' PRO 0.435 0.2 OUTLIER 70.38 -137.39 0.0 OUTLIER Pre-proline 0 C--N 1.27 -2.871 4 O-C-N 132.35 6.031 . . . . 25.0 123.311 170.52 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PRO . . . . . 1.325 ' CD ' ' HB ' ' A' ' 9' ' ' ILE 0.37 17.6 Cg_exo -49.83 -19.45 3.74 Favored 'Trans proline' 0 C--O 1.276 2.388 0 CA-C-O 124.955 1.981 . . . . 25.0 108.172 -169.092 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' SER . . . . . 1.081 ' OG ' ' HA ' ' A' ' 6' ' ' THR 0.362 57.9 m 75.12 140.92 0.07 Allowed 'General case' 0 N--CA 1.516 2.833 1 C-N-CA 109.723 -4.791 . . . . 19.3 108.569 178.756 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . 0.805 ' C ' ' H ' ' A' ' 14' ' ' VAL 0.293 0.3 OUTLIER -159.68 27.98 0.19 Allowed 'General case' 0 C--N 1.31 -1.11 0 CA-C-O 128.316 3.913 . . . . 12.88 108.806 -179.72 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ALA . . . . . 1.352 ' HB1' ' CE1' ' A' ' 4' ' ' HIS 0.277 . . 70.14 -22.33 0.17 Allowed 'General case' 0 C--O 1.245 0.848 1 CA-C-N 106.296 -4.957 . . . . 25.0 108.679 175.461 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.805 ' H ' ' C ' ' A' ' 12' ' ' SER . 20.8 t 30.74 -80.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.266 1.969 0 CA-C-N 108.539 -3.937 . . . . 25.0 111.546 178.597 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' THR . . . . . 1.171 HG22 ' O ' ' A' ' 3' ' ' CYS 0.473 6.7 p 79.97 58.67 0.02 OUTLIER 'General case' 0 N--CA 1.414 -2.233 1 CA-C-O 129.135 4.303 . . . . 25.0 107.209 -167.982 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.525 ' HB2' ' CD ' ' A' ' 17' ' ' PRO 0.334 0.6 OUTLIER 14.05 -142.35 0.0 OUTLIER Pre-proline 0 N--CA 1.418 -2.055 2 CA-C-N 106.69 -4.777 . . . . 17.86 122.913 174.106 28.048 140.086 74.312 88.135 2.032 89.248 160.276 -149.974 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' PRO . . . . . 1.525 ' CD ' ' HB2' ' A' ' 16' ' ' CYS . 2.5 Cg_endo -67.21 -135.94 0.01 OUTLIER 'Trans proline' 0 C--O 1.271 2.163 0 C-N-CA 124.632 3.555 . . . . 23.36 113.564 -171.362 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' PRO . . . . . 1.404 ' CD ' ' HB2' ' A' ' 17' ' ' PRO 0.608 19.0 Cg_endo -100.44 -129.03 0.01 OUTLIER 'Trans proline' 0 N--CA 1.424 -2.593 0 C-N-CA 123.925 3.084 . . . . 25.0 106.794 -175.969 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.74 ' O ' ' CD ' ' A' ' 20' ' ' GLU . . . 73.87 -97.55 0.92 Allowed Glycine 0 N--CA 1.509 3.51 0 O-C-N 126.061 2.101 . . . . 25.0 113.638 172.927 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.74 ' CD ' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER 130.63 91.61 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 113.299 -1.451 . . . . 25.0 107.637 -179.269 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.609 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER 114.6 153.71 0.0 OUTLIER 'General case' 0 C--O 1.247 0.942 1 O-C-N 130.01 4.569 . . . . 25.0 107.462 -175.578 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.138 HD12 ' HB2' ' A' ' 61' ' ' SER . 0.1 OUTLIER 50.99 175.93 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.264 4 O-C-N 136.781 8.801 . . . . 17.21 123.394 171.425 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.839 ' O ' HD23 ' A' ' 22' ' ' LEU . 24.6 m -155.96 128.07 7.55 Favored 'General case' 0 C--N 1.348 0.541 2 O-C-N 131.515 5.509 . . . . 23.05 108.467 178.828 -48.862 -160.573 -78.431 108.646 2.138 69.913 -136.06 82.738 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' TYR . . . . . 1.274 ' CD1' ' HE2' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -82.65 102.02 11.2 Favored 'General case' 0 C--O 1.245 0.866 2 C-N-CA 132.287 4.235 . . . . 25.0 118.79 -172.719 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.26 142.79 30.86 Favored 'General case' 0 N--CA 1.49 1.533 0 CA-C-O 114.702 -2.57 . . . . 25.0 105.635 -178.768 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . 1.235 ' CG ' HG13 ' A' ' 57' ' ' VAL . 35.6 tttt -169.8 121.46 0.69 Allowed 'General case' 0 CA--C 1.469 -2.14 0 O-C-N 127.563 3.039 . . . . 17.08 114.782 176.796 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' MET . . . . . 0.998 ' HG3' ' H ' ' A' ' 28' ' ' TRP . 1.9 ttt 114.75 170.62 0.0 OUTLIER 'General case' 0 C--O 1.206 -1.189 0 N-CA-C 117.202 2.297 . . . . 7.75 117.202 172.64 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.998 ' H ' ' HG3' ' A' ' 27' ' ' MET . 2.2 t90 163.21 -66.41 0.0 OUTLIER 'General case' 0 C--O 1.257 1.485 0 CA-C-N 109.288 -3.596 . . . . 25.0 115.012 177.474 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.061 ' O ' ' SG ' ' A' ' 33' ' ' CYS 0.71 1.7 t -90.76 45.03 1.23 Allowed 'General case' 0 C--O 1.294 3.433 1 N-CA-C 131.757 7.688 . . . . 25.0 131.757 -173.212 -148.959 -101.879 -125.776 100.727 2.036 99.439 -88.127 -50.938 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.657 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER 35.09 -88.71 0.01 OUTLIER 'General case' 0 C--O 1.276 2.456 2 CA-C-O 129.513 4.483 . . . . 25.0 113.899 177.307 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 30' ' ' ASP 0.268 . . 162.39 10.69 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.291 0 CA-C-O 112.431 -3.652 . . . . 25.0 103.165 174.853 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.606 ' C ' ' H ' ' A' ' 34' ' ' SER . 1.1 p90 -130.72 75.82 1.68 Allowed 'General case' 0 CA--C 1.577 1.991 2 O-C-N 139.677 10.611 . . . . 25.0 108.184 173.893 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' CYS . . . . . 1.061 ' SG ' ' O ' ' A' ' 29' ' ' CYS 0.595 34.3 m -86.23 53.06 2.66 Favored 'General case' 0 N--CA 1.533 3.696 1 CA-C-O 133.913 6.577 . . . . 25.0 103.443 178.867 -50.938 -88.127 -125.776 99.439 2.036 100.727 -101.879 -148.959 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' SER . . . . . 0.761 ' O ' ' HB2' ' A' ' 35' ' ' SER . 10.3 p -93.55 32.4 1.39 Allowed 'General case' 0 C--N 1.381 1.965 0 CA-C-N 108.769 -3.832 . . . . 25.0 104.298 179.06 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' SER . . . . . 0.761 ' HB2' ' O ' ' A' ' 34' ' ' SER . 14.1 m 112.36 -171.33 0.0 OUTLIER 'General case' 0 C--O 1.243 0.761 1 O-C-N 131.384 5.427 . . . . 25.0 111.688 176.215 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 39.01 -142.03 0.03 OUTLIER 'General case' 0 C--O 1.3 3.759 0 C-N-CA 130.69 3.596 . . . . 25.0 113.387 -178.01 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.56 80.6 0.05 OUTLIER Glycine 0 N--CA 1.489 2.194 0 O-C-N 126.182 2.176 . . . . 25.0 113.339 -179.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.5 60.02 0.49 Allowed 'General case' 0 C--O 1.259 1.582 0 CA-C-O 127.113 3.34 . . . . 25.0 113.174 -168.832 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.469 ' O ' ' HG2' ' A' ' 27' ' ' MET 0.441 0.8 OUTLIER -137.48 90.8 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.253 1.286 0 N-CA-C 101.516 -3.512 . . . . 25.0 101.516 167.681 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . 0.366 20.8 m -108.11 -179.99 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.97 1 CA-C-O 129.761 4.6 . . . . 25.0 117.667 -175.793 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.885 ' C ' HD22 ' A' ' 42' ' ' LEU . 1.4 tp10 -128.77 156.23 43.88 Favored 'General case' 0 C--O 1.261 1.694 1 C-N-CA 136.062 5.745 . . . . 25.0 103.588 175.078 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.446 ' CB ' HD22 ' A' ' 66' ' ' ASN . 0.3 OUTLIER 151.11 55.32 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.38 0 O-C-N 126.422 2.326 . . . . 25.0 108.841 -175.043 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.838 ' O ' ' HB2' ' A' ' 44' ' ' CYS . . . -116.7 -90.8 1.58 Allowed Glycine 0 C--O 1.267 2.187 0 CA-C-N 111.728 -2.487 . . . . 24.21 117.989 -179.059 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.956 ' SG ' ' HD2' ' A' ' 17' ' ' PRO . 1.8 t 154.22 150.21 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 124.928 2.299 . . . . 25.0 111.3 -165.983 -149.974 160.276 74.312 89.248 2.032 88.135 140.086 28.048 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.841 ' HB2' ' O ' ' A' ' 44' ' ' CYS . . . 172.34 40.82 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 113.971 -3.092 . . . . 14.07 108.559 -174.369 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 45' ' ' ALA . . . 109.0 -112.6 0.0 OUTLIER 'General case' 0 C--O 1.253 1.248 0 O-C-N 127.533 3.021 . . . . 13.21 110.132 -179.735 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . 0.75 ' O ' ' N ' ' A' ' 49' ' ' PRO . 0.8 OUTLIER -120.85 62.95 0.87 Allowed 'General case' 0 C--O 1.268 2.032 1 N-CA-C 123.519 4.637 . . . . 25.0 123.519 -170.245 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.923 ' O ' ' N ' ' A' ' 50' ' ' SER 0.313 0.7 OUTLIER 13.29 55.24 0.05 OUTLIER Pre-proline 0 N--CA 1.491 1.58 0 CA-C-N 113.9 -1.5 . . . . 25.0 107.737 174.27 155.537 -170.792 -98.707 151.001 2.126 112.503 49.889 -142.264 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.75 ' N ' ' O ' ' A' ' 47' ' ' THR 0.274 8.0 Cg_exo -21.51 -27.77 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.176 0 C-N-CA 124.355 3.37 . . . . 25.0 108.186 172.297 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' SER . . . . . 1.283 ' O ' ' HG3' ' A' ' 51' ' ' LYS 0.31 9.5 p 115.79 -86.07 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.945 0 CA-C-N 108.633 -3.894 . . . . 21.1 102.895 -174.403 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LYS . . . . . 1.283 ' HG3' ' O ' ' A' ' 50' ' ' SER 0.324 15.7 mttp 141.97 -140.8 0.0 OUTLIER 'General case' 0 C--O 1.281 2.741 0 C-N-CA 129.277 3.031 . . . . 25.0 114.4 173.435 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LYS . . . . . 1.207 ' HB3' ' CD ' ' A' ' 53' ' ' PRO 0.549 3.2 mptt -126.44 -161.11 0.04 OUTLIER Pre-proline 0 C--O 1.29 3.201 0 O-C-N 116.651 -3.781 . . . . 25.0 118.86 179.499 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' PRO . . . . . 1.207 ' CD ' ' HB3' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -85.68 -24.39 1.87 Allowed 'Trans proline' 0 C--O 1.282 2.685 2 C-N-CA 131.527 8.152 . . . . 25.0 124.113 -170.281 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.965 ' O ' ' O ' ' A' ' 53' ' ' PRO 0.671 0.1 OUTLIER -29.9 175.48 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 122.336 2.335 . . . . 25.0 107.423 169.032 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.877 ' O ' ' O ' ' A' ' 54' ' ' TYR 0.419 2.5 mt-10 -56.34 -127.06 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.81 1 O-C-N 114.511 -5.118 . . . . 18.0 108.491 -168.525 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.402 ' HG2' ' HB3' ' A' ' 55' ' ' GLU . 3.7 mt-10 -36.81 120.26 0.7 Allowed 'General case' 0 C--N 1.274 -2.711 1 C-N-CA 142.125 8.17 . . . . 25.0 120.434 -176.844 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.235 HG13 ' CG ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -139.13 -160.63 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 O-C-N 118.454 -2.654 . . . . 17.42 116.093 174.797 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' THR . . . . . 0.633 ' OG1' ' N ' ' A' ' 59' ' ' CYS 0.781 2.8 t 152.27 -162.56 0.0 OUTLIER 'General case' 0 N--CA 1.411 -2.411 1 C-N-CA 133.214 4.606 . . . . 25.0 118.27 170.155 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.633 ' N ' ' OG1' ' A' ' 58' ' ' THR . 0.5 OUTLIER -162.58 82.15 0.52 Allowed 'General case' 0 CA--C 1.569 1.7 2 C-N-CA 135.517 5.527 . . . . 14.19 114.544 -172.985 -142.264 49.889 -98.707 112.503 2.126 151.001 -170.792 155.537 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.281 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -62.26 -136.1 0.0 OUTLIER 'General case' 0 C--O 1.253 1.282 1 CA-C-O 109.77 -4.919 . . . . 25.0 111.231 176.718 -117.871 -150.481 -48.338 96.701 2.313 99.344 -155.189 -91.049 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' SER . . . . . 1.138 ' HB2' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER 127.31 30.72 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.998 0 O-C-N 128.377 3.548 . . . . 17.5 112.273 173.905 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . 0.375 0.0 OUTLIER -100.64 -1.75 34.5 Favored 'General case' 0 C--O 1.276 2.484 0 N-CA-C 118.532 2.79 . . . . 25.0 118.532 -165.451 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . 0.263 0.0 OUTLIER 157.31 -83.59 0.0 OUTLIER 'General case' 0 C--N 1.282 -2.367 2 C-N-CA 135.937 5.695 . . . . 25.0 101.507 179.469 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.754 ' HG3' ' N ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -112.01 -146.44 0.41 Allowed 'General case' 0 C--N 1.277 -2.55 2 O-C-N 136.926 8.892 . . . . 25.0 108.665 -176.172 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.281 ' SG ' ' SG ' ' A' ' 60' ' ' CYS 0.583 1.6 m 165.65 -24.37 0.0 OUTLIER 'General case' 0 C--O 1.296 3.545 1 N-CA-C 127.98 6.289 . . . . 25.0 127.98 170.925 -91.049 -155.189 -48.338 99.344 2.313 96.701 -150.481 -117.871 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASN . . . . . 1.446 HD22 ' CB ' ' A' ' 42' ' ' LEU 0.614 23.6 p-10 -111.93 -30.75 7.16 Favored 'General case' 0 C--O 1.301 3.783 2 N-CA-C 132.2 7.852 . . . . 25.0 132.2 -167.427 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.746 ' C ' ' O ' ' A' ' 66' ' ' ASN 0.306 0.8 OUTLIER -20.36 130.43 0.05 OUTLIER Pre-proline 0 C--O 1.252 1.194 3 CA-C-N 127.893 4.86 . . . . 22.25 105.767 177.968 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.626 ' O ' ' HD2' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -109.86 138.11 0.04 OUTLIER 'Trans proline' 0 C--N 1.303 -1.849 2 O-C-N 130.93 5.174 . . . . 25.0 116.32 -177.25 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.646 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 4.0 Cg_exo -16.97 -178.87 0.0 OUTLIER 'Trans proline' 0 N--CA 1.42 -2.827 2 C-N-CA 133.364 9.376 . . . . 25.0 124.344 170.692 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.822 ' HZ2' ' HB3' ' A' ' 70' ' ' LYS 0.596 0.2 OUTLIER 42.42 -115.75 0.34 Allowed 'General case' 0 C--O 1.292 3.306 2 CA-C-O 106.716 -6.373 . . . . 19.85 105.217 -175.443 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.794 ' HB2' ' O ' ' A' ' 70' ' ' LYS . 1.5 mtt85 79.17 -177.4 0.09 Allowed 'General case' 0 C--N 1.298 -1.647 2 CA-C-N 131.336 6.425 . . . . 25.0 118.352 172.227 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLN . . . . . 1.094 ' OE1' ' HA ' ' A' ' 72' ' ' GLN 0.418 0.1 OUTLIER -154.98 120.38 2.61 Favored Pre-proline 0 C--O 1.278 2.582 0 CA-C-N 109.717 -3.402 . . . . 25.0 114.37 -159.29 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.912 ' HD2' ' OE1' ' A' ' 72' ' ' GLN 0.474 0.2 OUTLIER -15.67 51.83 0.0 OUTLIER 'Trans proline' 0 N--CA 1.426 -2.466 2 C-N-CA 131.035 7.823 . . . . 25.0 119.911 -174.405 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 C--O 1.306 4.642 0 O-C-N 118.815 -2.428 . . . . 25.0 111.89 177.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ILE . . . . . 0.67 HG13 ' O ' ' B' ' 1' ' ' ILE 0.438 0.5 OUTLIER . . . . . 0 C--O 1.245 0.818 0 CA-C-O 128.43 3.967 . . . . 7.32 111.172 . . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.748 HG12 ' SG ' ' B' ' 3' ' ' CYS . 0.0 OUTLIER -92.0 165.8 1.88 Allowed 'Isoleucine or valine' 0 C--O 1.278 2.581 1 CA-C-N 106.294 -4.957 . . . . 25.0 106.146 173.359 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' CYS . . . . . 0.748 ' SG ' HG12 ' B' ' 2' ' ' VAL 0.669 3.4 m -6.2 117.69 0.01 OUTLIER 'General case' 0 C--N 1.261 -3.274 2 C-N-CA 143.955 8.902 . . . . 17.54 114.693 173.827 -37.918 -65.752 -105.512 106.601 1.986 101.973 -59.557 -60.08 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' HIS . . . . . 1.065 ' HB3' ' HZ3' ' B' ' 64' ' ' LYS . 59.8 t-80 -103.06 93.09 4.83 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 127.87 3.231 . . . . 25.0 106.51 174.092 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' THR . . . . . 0.971 HG23 ' HG3' ' B' ' 64' ' ' LYS . 69.4 p -167.52 -144.83 0.06 Allowed 'General case' 0 CA--C 1.558 1.281 0 CA-C-N 110.035 -3.257 . . . . 17.42 102.991 177.146 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' THR . . . . . 0.833 ' CG2' ' HB2' ' B' ' 42' ' ' LEU . 1.1 t -73.09 152.92 41.02 Favored 'General case' 0 CA--C 1.578 2.035 1 O-C-N 130.33 4.768 . . . . 25.0 101.859 170.447 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ALA . . . . . 1.211 ' O ' HG21 ' B' ' 14' ' ' VAL . . . 167.94 60.22 0.0 OUTLIER 'General case' 0 C--N 1.268 -2.976 1 N-CA-C 98.749 -4.537 . . . . 8.95 98.749 179.046 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' THR . . . . . 0.59 ' O ' ' O ' ' B' ' 9' ' ' ILE 0.516 1.9 m 91.03 130.82 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.378 3 CA-C-N 104.46 -5.791 . . . . 25.0 118.189 177.484 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ILE . . . . . 1.076 ' HB ' ' CD ' ' B' ' 10' ' ' PRO . 0.0 OUTLIER 21.29 -159.11 0.0 OUTLIER Pre-proline 0 C--O 1.273 2.325 2 C-N-CA 136.743 6.017 . . . . 25.0 108.639 -176.591 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' PRO . . . . . 1.076 ' CD ' ' HB ' ' B' ' 9' ' ' ILE 0.445 5.6 Cg_exo -20.86 83.01 0.0 OUTLIER 'Trans proline' 0 N--CA 1.505 2.203 1 CA-C-O 131.264 4.61 . . . . 25.0 102.32 -174.796 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' SER . . . . . 1.03 ' N ' ' O ' ' B' ' 9' ' ' ILE . 50.5 m -52.51 115.61 1.86 Allowed 'General case' 0 C--O 1.251 1.148 1 CA-C-N 105.376 -5.374 . . . . 25.0 108.67 177.981 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.48 68.16 0.35 Allowed 'General case' 0 CA--C 1.567 1.604 0 C-N-CA 124.537 1.135 . . . . 25.0 110.858 172.688 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.827 ' HB2' ' CD2' ' B' ' 4' ' ' HIS 0.368 . . 59.03 -45.38 0.07 Allowed 'General case' 0 N--CA 1.386 -3.632 2 C-N-CA 142.247 8.219 . . . . 18.39 118.096 -175.495 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' VAL . . . . . 1.211 HG21 ' O ' ' B' ' 7' ' ' ALA 0.291 42.3 t 74.25 -59.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.284 -2.243 2 C-N-CA 136.264 5.825 . . . . 24.58 113.022 -176.801 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 73.79 29.91 1.42 Allowed 'General case' 0 C--O 1.295 3.496 0 CA-C-O 124.004 1.859 . . . . 25.0 111.015 -178.481 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' CYS . . . . . 1.26 ' CB ' ' HD3' ' B' ' 17' ' ' PRO 0.574 2.7 m 53.45 -159.35 0.01 OUTLIER Pre-proline 0 C--O 1.255 1.347 0 C-N-CA 130.58 3.552 . . . . 13.87 116.501 -178.689 -34.572 -92.037 -81.872 115.4 1.908 109.913 142.785 51.846 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' PRO . . . . . 1.26 ' HD3' ' CB ' ' B' ' 16' ' ' CYS 0.332 18.7 Cg_endo -122.52 -156.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.281 -2.986 2 C-N-CA 134.925 10.417 . . . . 7.59 94.397 -177.446 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' PRO . . . . . 1.054 ' HD2' ' HB2' ' B' ' 17' ' ' PRO . 5.7 Cg_exo -61.69 157.31 42.99 Favored 'Trans proline' 0 C--N 1.286 -2.722 1 O-C-N 131.576 5.514 . . . . 21.79 108.608 -174.315 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.487 ' O ' ' HB2' ' B' ' 20' ' ' GLU . . . 146.62 -104.79 0.3 Allowed Glycine 0 N--CA 1.488 2.155 0 C-N-CA 117.153 -2.451 . . . . 25.0 117.168 175.031 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' B' ' 19' ' ' GLY . 0.0 OUTLIER 102.92 119.86 0.01 OUTLIER 'General case' 0 C--O 1.269 2.086 0 CA-C-O 123.989 1.852 . . . . 25.0 106.898 -176.576 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASN . . . . . 0.474 ' OD1' HD13 ' B' ' 22' ' ' LEU . 0.0 OUTLIER 82.71 141.76 0.07 Allowed 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 112.27 -2.241 . . . . 25.0 110.5 -178.508 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.632 ' HA ' ' HB2' ' B' ' 61' ' ' SER 0.452 0.0 OUTLIER 61.75 137.85 0.01 OUTLIER 'General case' 1 C--O 1.332 5.407 1 C-N-CA 143.091 8.556 . . . . 25.0 120.617 -177.485 . . . . . . . . 6 4 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' CYS . . . . . 0.998 ' HB2' ' SG ' ' B' ' 60' ' ' CYS . 82.5 m -108.88 112.46 24.71 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 113.485 -3.15 . . . . 15.79 107.165 175.006 -60.08 -59.557 -105.512 101.973 1.986 106.601 -65.752 -37.918 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' TYR . . . . . 1.104 ' CZ ' ' HG2' ' B' ' 49' ' ' PRO 0.36 2.6 p90 -105.42 138.02 42.29 Favored 'General case' 0 C--O 1.279 2.645 0 CA-C-N 122.903 2.592 . . . . 25.0 117.407 179.384 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.882 ' HD2' ' HB3' ' B' ' 66' ' ' ASN . 11.2 mtp-105 -120.69 159.97 24.26 Favored 'General case' 0 C--O 1.195 -1.792 0 O-C-N 118.738 -2.476 . . . . 25.0 115.842 -175.958 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.475 ' O ' ' HG3' ' B' ' 27' ' ' MET . 81.9 tttt -165.58 153.03 10.58 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 126.662 1.985 . . . . 19.45 113.66 178.724 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' MET . . . . . 0.475 ' HG3' ' O ' ' B' ' 26' ' ' LYS 0.401 0.0 OUTLIER 77.25 148.73 0.1 Allowed 'General case' 0 C--N 1.294 -1.81 1 C-N-CA 135.962 5.705 . . . . 18.73 115.649 173.951 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' TRP . . . . . 0.8 ' HH2' ' HD2' ' B' ' 69' ' ' PRO 0.31 0.5 OUTLIER -140.23 -55.44 0.53 Allowed 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 116.854 2.168 . . . . 25.0 116.854 178.459 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' B' ' 31' ' ' ALA . 37.7 t -113.46 106.43 14.55 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 118.815 -2.428 . . . . 21.28 107.843 175.025 174.729 -122.169 -114.64 118.403 2.246 89.52 -72.67 -29.512 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ASP . . . . . 0.933 ' O ' ' HB2' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -26.66 -39.29 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.905 0 O-C-N 126.877 2.611 . . . . 21.79 112.571 -177.92 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.933 ' HB2' ' O ' ' B' ' 30' ' ' ASP . . . 136.56 -3.92 0.0 OUTLIER 'General case' 0 C--N 1.284 -2.256 0 C-N-CA 118.715 -1.194 . . . . 24.78 110.186 -178.944 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.3 70.08 1.23 Allowed 'General case' 0 CA--C 1.592 2.59 0 CA-C-N 115.134 -0.939 . . . . 21.48 108.557 177.077 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . 0.311 1.6 m -71.31 99.07 1.87 Allowed 'General case' 0 N--CA 1.483 1.194 0 O-C-N 128.309 3.506 . . . . 25.0 109.308 -176.776 -29.512 -72.67 -114.64 89.52 2.246 118.403 -122.169 174.729 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 2.4 m -170.47 45.95 0.03 OUTLIER 'General case' 0 N--CA 1.402 -2.836 2 O-C-N 136.388 8.555 . . . . 15.6 105.854 -178.648 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' SER . . . . . 0.696 ' O ' ' HG3' ' B' ' 36' ' ' ARG . 1.5 m 58.85 109.63 0.01 OUTLIER 'General case' 1 N--CA 1.56 5.045 1 N-CA-C 122.994 4.442 . . . . 25.0 122.994 171.439 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.696 ' HG3' ' O ' ' B' ' 35' ' ' SER . 81.5 mtm-85 -170.75 -112.76 0.01 OUTLIER 'General case' 0 N--CA 1.53 3.534 0 O-C-N 127.698 3.124 . . . . 25.0 108.009 174.981 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' B' ' 28' ' ' TRP . . . 111.99 -1.34 27.1 Favored Glycine 0 CA--C 1.557 2.7 0 CA-C-N 115.613 -0.721 . . . . 18.43 114.044 177.515 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' LYS . . . . . 1.168 ' HD3' ' HG3' ' B' ' 71' ' ' ARG . 0.6 OUTLIER -96.13 68.59 2.69 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 127.662 3.601 . . . . 23.15 110.61 -179.168 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.46 ' O ' ' SD ' ' B' ' 27' ' ' MET . 0.1 OUTLIER -170.16 92.35 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.601 2.912 0 N-CA-C 103.548 -2.76 . . . . 25.0 103.548 177.891 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.65 ' HB ' HD11 ' B' ' 42' ' ' LEU . 0.0 OUTLIER -132.52 176.41 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.118 4 O-C-N 137.37 9.169 . . . . 25.0 120.693 -167.941 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' GLU . . . . . 1.022 ' C ' HD12 ' B' ' 42' ' ' LEU . 46.6 tt0 -163.73 118.02 1.55 Allowed 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 109.154 -3.657 . . . . 25.0 106.353 -179.401 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' LEU . . . . . 1.022 HD12 ' C ' ' B' ' 41' ' ' GLU 0.266 0.0 OUTLIER -142.56 128.38 19.38 Favored 'General case' 0 N--CA 1.432 -1.349 1 C-N-CA 134.454 5.102 . . . . 25.0 115.094 -171.438 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.742 ' O ' ' HB3' ' B' ' 44' ' ' CYS . . . 158.58 -102.77 0.22 Allowed Glycine 0 N--CA 1.402 -3.586 1 N-CA-C 125.123 4.809 . . . . 25.0 125.123 175.509 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' CYS . . . . . 0.742 ' HB3' ' O ' ' B' ' 43' ' ' GLY . 10.5 p 151.42 131.87 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.665 0 CA-C-N 111.57 -2.315 . . . . 25.0 111.165 -170.695 51.846 142.785 -81.872 109.913 1.908 115.4 -92.037 -34.572 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.881 ' O ' ' HB3' ' B' ' 46' ' ' ALA . . . -169.63 70.3 0.07 Allowed 'General case' 0 C--N 1.3 -1.586 1 N-CA-C 97.856 -4.868 . . . . 16.61 97.856 178.502 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.881 ' HB3' ' O ' ' B' ' 45' ' ' ALA . . . 101.48 -174.77 0.0 OUTLIER 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 112.802 -1.999 . . . . 16.85 115.6 177.644 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' THR . . . . . 0.729 ' O ' ' C ' ' B' ' 48' ' ' CYS . 0.4 OUTLIER -54.33 67.56 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.589 3 O-C-N 132.951 6.407 . . . . 25.0 118.735 -164.551 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' CYS . . . . . 0.729 ' C ' ' O ' ' B' ' 47' ' ' THR . 32.3 t 11.64 69.19 0.09 OUTLIER Pre-proline 0 CA--C 1.478 -1.825 0 N-CA-C 102.485 -3.154 . . . . 25.0 102.485 -169.788 173.134 -177.194 -97.346 117.115 1.921 124.212 -23.195 -95.082 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' PRO . . . . . 1.104 ' HG2' ' CZ ' ' B' ' 24' ' ' TYR . 3.9 Cg_exo -37.42 -36.73 0.38 Allowed 'Trans proline' 0 C--N 1.288 -2.633 0 O-C-N 125.887 2.52 . . . . 25.0 107.68 -171.304 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' SER . . . . . 0.8 ' O ' ' HB2' ' B' ' 51' ' ' LYS . 66.1 m 94.02 -95.31 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.884 1 O-C-N 132.379 6.05 . . . . 16.93 105.24 -171.565 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' LYS . . . . . 0.8 ' HB2' ' O ' ' B' ' 50' ' ' SER . 12.1 mttm 128.98 -164.64 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.93 0 O-C-N 127.105 2.753 . . . . 25.0 110.077 179.278 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' LYS . . . . . 1.519 ' HB2' ' CD ' ' B' ' 53' ' ' PRO . 0.0 OUTLIER -144.52 -99.49 0.0 OUTLIER Pre-proline 0 C--N 1.302 -1.465 0 C-N-CA 119.957 -0.697 . . . . 25.0 111.616 -176.643 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' PRO . . . . . 1.519 ' CD ' ' HB2' ' B' ' 52' ' ' LYS 0.788 0.0 OUTLIER -3.56 -62.0 0.0 OUTLIER 'Trans proline' 1 N--CA 1.39 -4.568 3 N-CA-C 136.659 9.446 . . . . 25.0 136.659 -173.526 . . . . . . . . 6 4 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . 0.262 0.3 OUTLIER -106.64 -138.41 0.37 Allowed 'General case' 0 C--O 1.275 2.427 0 CA-C-N 124.742 3.428 . . . . 25.0 116.839 -168.032 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . 0.644 4.5 mt-10 -84.68 -140.45 0.07 Allowed 'General case' 0 C--O 1.297 3.576 0 O-C-N 119.746 -1.847 . . . . 25.0 113.408 179.698 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.916 ' O ' ' HB ' ' B' ' 57' ' ' VAL . 15.3 mt-10 -36.41 148.29 0.03 OUTLIER 'General case' 0 C--O 1.262 1.756 0 CA-C-O 126.817 3.198 . . . . 8.04 118.209 -171.264 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.916 ' HB ' ' O ' ' B' ' 56' ' ' GLU 0.97 1.9 p -143.5 -159.42 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.301 3.773 0 O-C-N 116.835 -3.665 . . . . 5.0 107.905 175.744 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' THR . . . . . 0.757 HG21 HH11 ' B' ' 25' ' ' ARG . 0.4 OUTLIER 166.43 137.48 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 125.438 3.744 . . . . 6.63 111.1 -172.77 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' CYS . . . . . . . . . . . . . 1.3 m -127.81 61.8 1.41 Allowed 'General case' 0 C--O 1.186 -2.268 1 N-CA-C 100.073 -4.047 . . . . 15.34 100.073 -178.542 -95.082 -23.195 -97.346 124.212 1.921 117.115 -177.194 173.134 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' CYS . . . . . 1.154 ' SG ' ' N ' ' B' ' 61' ' ' SER 0.27 0.0 OUTLIER -48.69 -145.05 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.634 1 O-C-N 132.445 6.091 . . . . 8.13 108.497 178.821 133.14 116.163 94.511 97.926 2.083 100.616 175.709 -103.895 5 4 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' SER . . . . . 1.154 ' N ' ' SG ' ' B' ' 60' ' ' CYS . 39.6 t 119.6 52.3 0.0 OUTLIER 'General case' 0 C--O 1.255 1.364 0 CA-C-O 123.106 1.431 . . . . 25.0 112.267 174.124 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' B' ' 63' ' ' ASP . 80.7 p -131.3 3.71 4.31 Favored 'General case' 0 C--O 1.268 2.062 0 CA-C-N 113.08 -1.873 . . . . 20.66 114.076 -177.667 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.459 ' HB3' ' H ' ' B' ' 64' ' ' LYS 0.308 0.4 OUTLIER 151.74 -102.1 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 CA-C-O 123.322 1.534 . . . . 25.0 111.142 -178.094 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' LYS . . . . . 1.065 ' HZ3' ' HB3' ' B' ' 4' ' ' HIS . 14.4 ttmm -95.34 -130.62 0.16 Allowed 'General case' 0 N--CA 1.511 2.612 2 CA-C-O 107.575 -5.964 . . . . 19.92 98.884 177.286 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' CYS . . . . . 0.604 ' CB ' ' O ' ' B' ' 64' ' ' LYS 0.401 0.8 OUTLIER 165.94 -67.89 0.0 OUTLIER 'General case' 0 C--O 1.264 1.817 2 N-CA-C 123.074 4.472 . . . . 9.96 123.074 173.656 -103.895 175.709 94.511 100.616 2.083 97.926 116.163 133.14 5 4 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' ASN . . . . . 1.099 ' N ' HD22 ' B' ' 66' ' ' ASN 0.298 0.0 OUTLIER -99.84 50.72 0.92 Allowed 'General case' 1 C--O 1.306 4.027 2 N-CA-C 124.562 5.023 . . . . 25.0 124.562 -170.703 . . . . . . . . 6 4 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.666 ' O ' ' HD3' ' B' ' 69' ' ' PRO . 1.3 m80 -92.97 114.88 63.91 Favored Pre-proline 0 N--CA 1.51 2.552 1 O-C-N 115.496 -4.502 . . . . 25.0 104.592 -179.738 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' PRO . . . . . 0.781 ' HD3' ' O ' ' B' ' 66' ' ' ASN . 78.9 Cg_exo -52.54 95.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.813 1 O-C-N 128.863 4.086 . . . . 16.63 106.549 -177.995 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' PRO . . . . . 0.8 ' HD2' ' HH2' ' B' ' 28' ' ' TRP . 31.7 Cg_exo -19.92 -66.41 0.03 OUTLIER 'Trans proline' 1 C--O 1.318 4.497 0 C-N-CA 123.379 2.72 . . . . 25.0 115.979 179.589 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . 0.253 0.0 OUTLIER -46.36 -35.78 5.77 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 130.019 3.327 . . . . 25.0 116.973 -168.91 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' ARG . . . . . 1.168 ' HG3' ' HD3' ' B' ' 38' ' ' LYS 0.262 0.0 OUTLIER -149.17 -117.9 0.05 Allowed 'General case' 0 C--O 1.275 2.411 1 CA-C-N 107.717 -4.311 . . . . 25.0 104.326 -164.595 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.718 ' O ' ' CG ' ' B' ' 72' ' ' GLN . 9.8 pt20 155.67 113.23 0.0 OUTLIER Pre-proline 0 CA--C 1.572 1.822 0 O-C-N 127.901 3.25 . . . . 25.0 105.92 -179.889 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.608 ' HD2' ' HD2' ' B' ' 68' ' ' PRO . 6.6 Cg_exo -21.88 -55.76 0.04 OUTLIER 'Trans proline' 0 C--N 1.291 -2.49 2 C-N-CA 129.478 6.785 . . . . 25.0 114.933 173.484 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.509 3.549 0 C-N-CA 117.782 -2.152 . . . . 25.0 117.986 -177.999 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 200' ' ' HOH . . . . . 0.443 ' O ' ' HA ' ' A' ' 39' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . 0.819 ' O ' ' HB3' ' A' ' 53' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 500' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_