data_2msi_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 2msi _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 ' 0' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.969 0 CA-C-O 114.172 -2.823 . . . . 40.51 103.833 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -122.52 -11.76 8.24 Favored 'General case' 0 N--CA 1.486 1.367 1 CA-C-N 126.105 4.048 . . . . 38.22 106.489 159.401 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -65.92 134.87 53.89 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.88 -1.054 . . . . 32.82 108.794 166.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.8 149.68 22.07 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 121.189 -0.944 . . . . 14.96 110.889 176.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.0 m -121.18 167.96 12.11 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 120.019 -1.676 . . . . 10.43 109.322 -177.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 50.6 t -79.33 123.92 36.9 Favored 'Isoleucine or valine' 0 C--O 1.249 1.052 0 N-CA-C 107.593 -1.262 . . . . 9.58 107.593 174.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -128.46 148.6 32.91 Favored 'Isoleucine or valine' 0 C--N 1.347 0.465 0 N-CA-C 105.653 -1.981 . . . . 13.8 105.653 172.837 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.44 124.94 24.6 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 122.802 1.287 . . . . 10.76 111.485 -175.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASN . . . . . 0.849 HD22 HH11 ' A' ' 23' ' ' ARG . 9.4 t-20 -88.15 -7.11 57.39 Favored 'General case' 0 C--N 1.311 -1.09 0 O-C-N 121.064 -1.022 . . . . 15.3 109.389 -179.887 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -155.23 169.44 24.18 Favored 'General case' 0 N--CA 1.439 -0.978 0 O-C-N 119.147 -2.221 . . . . 27.18 105.959 175.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -68.96 130.16 42.0 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 104.003 -2.592 . . . . 18.13 104.003 175.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.7 mt -108.5 109.79 61.51 Favored Pre-proline 0 N--CA 1.436 -1.173 0 N-CA-C 103.693 -2.706 . . . . 11.67 103.693 177.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -61.46 154.84 56.32 Favored 'Trans proline' 0 C--O 1.251 1.126 0 C-N-CA 123.568 2.845 . . . . 13.8 112.188 177.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 tt -55.28 138.38 15.61 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 N-CA-C 108.318 -0.993 . . . . 13.21 108.318 176.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASN . . . . . 0.496 ' ND2' ' HZ2' ' A' ' 61' ' ' LYS . 15.6 m120 64.73 22.52 12.59 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 117.055 2.243 . . . . 25.02 117.055 178.794 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.5 m -83.39 144.93 29.3 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 120.729 -1.232 . . . . 19.28 108.916 174.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 69.2 mtm -81.88 128.99 34.61 Favored 'General case' 0 C--O 1.243 0.734 0 N-CA-C 108.09 -1.078 . . . . 37.87 108.09 170.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.5 mt -69.18 141.98 54.41 Favored 'General case' 0 C--O 1.245 0.862 0 O-C-N 121.845 -0.534 . . . . 15.02 112.064 -174.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.2 p -123.83 166.55 15.43 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 105.674 -1.973 . . . . 15.68 105.674 174.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.8 mt -63.13 -33.39 75.36 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 116.096 1.887 . . . . 16.96 116.096 179.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.79 -21.16 28.8 Favored 'Isoleucine or valine' 0 C--N 1.344 0.34 0 CA-C-N 120.163 1.347 . . . . 18.75 111.462 178.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 60.7 mtt -82.27 -12.46 58.03 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 117.316 -1.326 . . . . 12.88 113.195 -176.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 64.4 mtm -123.1 121.96 37.29 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 122.272 2.306 . . . . 13.9 113.929 -170.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ARG . . . . . 0.849 HH11 HD22 ' A' ' 8' ' ' ASN . 14.2 ptt180 -112.56 173.78 6.21 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 107.94 -1.133 . . . . 28.73 107.94 174.804 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.9 t -116.59 126.45 53.29 Favored 'General case' 0 C--N 1.313 -1.014 0 C-N-CA 124.635 1.174 . . . . 19.3 108.744 -178.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -148.64 151.53 35.14 Favored 'General case' 0 CA--C 1.503 -0.832 0 O-C-N 121.117 -0.989 . . . . 22.62 110.809 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.5 t -89.26 103.34 13.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 104.02 -2.585 . . . . 13.2 104.02 177.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.8 m -126.48 164.22 27.07 Favored 'Isoleucine or valine' 0 C--O 1.249 1.044 0 CA-C-O 118.367 -0.825 . . . . 15.25 110.592 -177.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.8 p -131.83 137.87 31.22 Favored Pre-proline 0 C--O 1.244 0.796 0 CA-C-N 120.466 1.485 . . . . 23.8 108.047 175.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -63.92 160.33 65.01 Favored 'Cis proline' 0 C--N 1.348 0.501 0 CA-C-N 121.82 1.686 . . . . 21.64 114.266 -6.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -84.62 144.24 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.038 0 N-CA-C 107.537 -1.283 . . . . 22.19 107.537 -174.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.17 -149.14 10.94 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 109.375 -1.49 . . . . 12.88 109.375 -177.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 89.5 mt -59.01 134.52 87.48 Favored Pre-proline 0 C--O 1.242 0.695 0 N-CA-C 108.133 -1.062 . . . . 13.27 108.133 177.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -64.15 139.32 66.0 Favored 'Trans proline' 0 N--CA 1.454 -0.828 0 C-N-CA 122.415 2.077 . . . . 15.47 111.229 -173.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.75 -27.93 31.47 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 116.636 2.088 . . . . 15.88 116.636 179.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -63.41 -22.18 66.73 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 119.979 -1.701 . . . . 42.07 112.207 179.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -84.59 -1.95 56.69 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 114.615 1.339 . . . . 30.16 114.615 -178.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 60.2 mt -50.71 -49.7 77.55 Favored Pre-proline 0 C--O 1.242 0.675 0 CA-C-N 121.491 1.95 . . . . 18.63 113.064 -179.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -57.23 -28.35 79.13 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 CA-C-N 123.451 2.268 . . . . 25.0 115.485 177.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.9 mtm105 -82.1 -17.91 44.87 Favored 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 120.954 -1.091 . . . . 48.86 112.837 -178.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.8 mt -82.35 -18.34 42.46 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 116.218 1.932 . . . . 20.83 116.218 -178.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.3 t -61.92 135.48 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 O-C-N 120.77 -1.206 . . . . 18.12 108.639 -178.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.7 m 76.7 0.07 3.09 Favored 'General case' 0 CA--C 1.506 -0.739 0 C-N-CA 126.302 1.841 . . . . 26.96 114.027 -176.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 8.5 mtm -87.02 154.01 21.11 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 106.031 -1.84 . . . . 32.87 106.031 173.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -101.97 139.28 37.81 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 113.884 1.068 . . . . 35.04 113.884 -173.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.2 m -89.4 150.7 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 120.471 1.487 . . . . 13.02 107.958 176.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.6 p30 -103.31 6.61 38.1 Favored 'General case' 0 C--N 1.313 -1.004 0 O-C-N 119.859 -1.776 . . . . 23.72 113.299 -175.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -149.68 167.17 27.18 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 107.303 -1.369 . . . . 31.18 107.303 174.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.24 137.1 52.86 Favored 'General case' 0 C--O 1.253 1.263 0 N-CA-C 108.475 -0.935 . . . . 12.93 108.475 175.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.5 t -120.36 105.8 41.29 Favored Pre-proline 0 N--CA 1.447 -0.616 0 O-C-N 118.129 -2.857 . . . . 12.14 104.094 179.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.9 157.3 39.07 Favored 'Trans proline' 0 C--O 1.25 1.076 0 C-N-CA 124.279 3.32 . . . . 12.92 113.483 175.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.98 131.07 22.76 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 114.638 -1.165 . . . . 16.59 108.994 175.076 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.84 -0.51 89.55 Favored Glycine 0 CA--C 1.529 0.911 0 CA-C-O 116.832 -2.093 . . . . 11.66 115.127 176.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.9 m -80.12 136.19 36.47 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 121.558 2.679 . . . . 12.23 109.834 177.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.5 m -70.69 132.66 45.74 Favored 'General case' 0 C--O 1.248 0.993 0 N-CA-C 111.329 0.122 . . . . 12.22 111.329 174.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.4 tp -81.45 123.93 29.01 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 107.019 -1.475 . . . . 21.1 107.019 -179.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 17.4 mmt -106.88 153.92 40.54 Favored Pre-proline 0 C--O 1.245 0.841 0 C-N-CA 123.856 0.863 . . . . 20.33 110.426 -178.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -49.93 -40.04 49.3 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 124.752 3.635 . . . . 11.43 116.352 -179.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -73.84 -8.02 54.44 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 114.998 1.481 . . . . 21.14 114.998 -179.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 51.8 mtt -91.63 -8.91 45.87 Favored 'General case' 0 C--O 1.238 0.481 0 O-C-N 119.13 -2.232 . . . . 14.06 111.438 179.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 64.5 t -112.36 126.89 69.81 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 CA-C-N 121.01 1.732 . . . . 16.79 109.891 -177.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LYS . . . . . 0.496 ' HZ2' ' ND2' ' A' ' 14' ' ' ASN . 89.3 mttt -72.11 129.63 38.97 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 119.813 -1.804 . . . . 32.49 110.298 -178.035 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.16 -1.41 88.72 Favored Glycine 0 C--N 1.337 0.638 0 CA-C-O 118.286 -1.285 . . . . 22.97 113.642 177.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -82.21 137.68 34.84 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-N 122.108 2.954 . . . . 27.96 107.587 -179.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.92 134.95 12.05 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 109.346 -3.57 . . . . 41.9 102.478 169.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 101.849 -3.389 . . . . 54.66 101.849 174.965 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.969 0 CA-C-O 114.172 -2.823 . . . . 40.509999999999998 103.833 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -122.52 -11.76 8.24 Favored 'General case' 0 N--CA 1.486 1.367 1 CA-C-N 126.105 4.048 . . . . 38.219999999999999 106.489 159.401 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -65.92 134.87 53.89 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.88 -1.054 . . . . 32.82 108.794 166.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.8 149.68 22.07 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 121.189 -0.944 . . . . 14.960000000000001 110.889 176.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.0 m -121.18 167.96 12.11 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 120.019 -1.676 . . . . 10.43 109.322 -177.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 50.6 t -79.33 123.92 36.9 Favored 'Isoleucine or valine' 0 C--O 1.249 1.052 0 N-CA-C 107.593 -1.262 . . . . 9.5800000000000001 107.593 174.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -128.46 148.6 32.91 Favored 'Isoleucine or valine' 0 C--N 1.347 0.465 0 N-CA-C 105.653 -1.981 . . . . 13.800000000000001 105.653 172.837 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.44 124.94 24.6 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 122.802 1.287 . . . . 10.76 111.485 -175.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -88.15 -7.11 57.39 Favored 'General case' 0 C--N 1.311 -1.09 0 O-C-N 121.064 -1.022 . . . . 15.300000000000001 109.389 -179.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -155.23 169.44 24.18 Favored 'General case' 0 N--CA 1.439 -0.978 0 O-C-N 119.147 -2.221 . . . . 27.18 105.959 175.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . 0.541 HD23 ' HA ' ' A' ' 50' ' ' PRO . 2.1 tm? -68.96 130.16 42.0 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 104.003 -2.592 . . . . 18.129999999999999 104.003 175.415 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.7 mt -108.5 109.79 61.51 Favored Pre-proline 0 N--CA 1.436 -1.173 0 N-CA-C 103.693 -2.706 . . . . 11.67 103.693 177.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -61.46 154.84 56.32 Favored 'Trans proline' 0 C--O 1.251 1.126 0 C-N-CA 123.568 2.845 . . . . 13.800000000000001 112.188 177.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 tt -55.28 138.38 15.61 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 N-CA-C 108.318 -0.993 . . . . 13.210000000000001 108.318 176.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 64.73 22.52 12.59 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 117.055 2.243 . . . . 25.02 117.055 178.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.5 m -83.39 144.93 29.3 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 120.729 -1.232 . . . . 19.280000000000001 108.916 174.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 69.2 mtm -81.88 128.99 34.61 Favored 'General case' 0 C--O 1.243 0.734 0 N-CA-C 108.09 -1.078 . . . . 37.869999999999997 108.09 170.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.5 mt -69.18 141.98 54.41 Favored 'General case' 0 C--O 1.245 0.862 0 O-C-N 121.845 -0.534 . . . . 15.02 112.064 -174.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.2 p -123.83 166.55 15.43 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 105.674 -1.973 . . . . 15.68 105.674 174.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.8 mt -63.13 -33.39 75.36 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 116.096 1.887 . . . . 16.960000000000001 116.096 179.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.79 -21.16 28.8 Favored 'Isoleucine or valine' 0 C--N 1.344 0.34 0 CA-C-N 120.163 1.347 . . . . 18.75 111.462 178.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 60.7 mtt -82.27 -12.46 58.03 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 117.316 -1.326 . . . . 12.880000000000001 113.195 -176.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 64.4 mtm -123.1 121.96 37.29 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 122.272 2.306 . . . . 13.9 113.929 -170.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -112.56 173.78 6.21 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 107.94 -1.133 . . . . 28.73 107.94 174.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.9 t -116.59 126.45 53.29 Favored 'General case' 0 C--N 1.313 -1.014 0 C-N-CA 124.635 1.174 . . . . 19.300000000000001 108.744 -178.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -148.64 151.53 35.14 Favored 'General case' 0 CA--C 1.503 -0.832 0 O-C-N 121.117 -0.989 . . . . 22.620000000000001 110.809 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.5 t -89.26 103.34 13.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 104.02 -2.585 . . . . 13.199999999999999 104.02 177.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.8 m -126.48 164.22 27.07 Favored 'Isoleucine or valine' 0 C--O 1.249 1.044 0 CA-C-O 118.367 -0.825 . . . . 15.25 110.592 -177.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.8 p -131.83 137.87 31.22 Favored Pre-proline 0 C--O 1.244 0.796 0 CA-C-N 120.466 1.485 . . . . 23.800000000000001 108.047 175.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -63.92 160.33 65.01 Favored 'Cis proline' 0 C--N 1.348 0.501 0 CA-C-N 121.82 1.686 . . . . 21.640000000000001 114.266 -6.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -84.62 144.24 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.038 0 N-CA-C 107.537 -1.283 . . . . 22.190000000000001 107.537 -174.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.17 -149.14 10.94 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 109.375 -1.49 . . . . 12.880000000000001 109.375 -177.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 89.5 mt -59.01 134.52 87.48 Favored Pre-proline 0 C--O 1.242 0.695 0 N-CA-C 108.133 -1.062 . . . . 13.27 108.133 177.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -64.15 139.32 66.0 Favored 'Trans proline' 0 N--CA 1.454 -0.828 0 C-N-CA 122.415 2.077 . . . . 15.470000000000001 111.229 -173.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.75 -27.93 31.47 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 116.636 2.088 . . . . 15.880000000000001 116.636 179.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' A' ' 35' ' ' GLU . 7.9 mp0 -63.41 -22.18 66.73 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 119.979 -1.701 . . . . 42.07 112.207 179.246 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -84.59 -1.95 56.69 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 114.615 1.339 . . . . 30.16 114.615 -178.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 60.2 mt -50.71 -49.7 77.55 Favored Pre-proline 0 C--O 1.242 0.675 0 CA-C-N 121.491 1.95 . . . . 18.629999999999999 113.064 -179.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -57.23 -28.35 79.13 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 CA-C-N 123.451 2.268 . . . . 25.0 115.485 177.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.9 mtm105 -82.1 -17.91 44.87 Favored 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 120.954 -1.091 . . . . 48.859999999999999 112.837 -178.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . 0.554 ' HA ' ' HE3' ' A' ' 43' ' ' MET . 80.8 mt -82.35 -18.34 42.46 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 116.218 1.932 . . . . 20.829999999999998 116.218 -178.519 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.3 t -61.92 135.48 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 O-C-N 120.77 -1.206 . . . . 18.120000000000001 108.639 -178.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.7 m 76.7 0.07 3.09 Favored 'General case' 0 CA--C 1.506 -0.739 0 C-N-CA 126.302 1.841 . . . . 26.960000000000001 114.027 -176.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' MET . . . . . 0.554 ' HE3' ' HA ' ' A' ' 40' ' ' LEU . 8.5 mtm -87.02 154.01 21.11 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 106.031 -1.84 . . . . 32.869999999999997 106.031 173.72 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -101.97 139.28 37.81 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 113.884 1.068 . . . . 35.039999999999999 113.884 -173.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.2 m -89.4 150.7 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 120.471 1.487 . . . . 13.02 107.958 176.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.6 p30 -103.31 6.61 38.1 Favored 'General case' 0 C--N 1.313 -1.004 0 O-C-N 119.859 -1.776 . . . . 23.719999999999999 113.299 -175.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -149.68 167.17 27.18 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 107.303 -1.369 . . . . 31.18 107.303 174.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.24 137.1 52.86 Favored 'General case' 0 C--O 1.253 1.263 0 N-CA-C 108.475 -0.935 . . . . 12.93 108.475 175.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.5 t -120.36 105.8 41.29 Favored Pre-proline 0 N--CA 1.447 -0.616 0 O-C-N 118.129 -2.857 . . . . 12.140000000000001 104.094 179.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PRO . . . . . 0.541 ' HA ' HD23 ' A' ' 10' ' ' LEU . 32.1 Cg_exo -60.9 157.3 39.07 Favored 'Trans proline' 0 C--O 1.25 1.076 0 C-N-CA 124.279 3.32 . . . . 12.92 113.483 175.885 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.98 131.07 22.76 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 114.638 -1.165 . . . . 16.59 108.994 175.076 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.84 -0.51 89.55 Favored Glycine 0 CA--C 1.529 0.911 0 CA-C-O 116.832 -2.093 . . . . 11.66 115.127 176.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.9 m -80.12 136.19 36.47 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 121.558 2.679 . . . . 12.23 109.834 177.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.5 m -70.69 132.66 45.74 Favored 'General case' 0 C--O 1.248 0.993 0 N-CA-C 111.329 0.122 . . . . 12.220000000000001 111.329 174.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.4 tp -81.45 123.93 29.01 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 107.019 -1.475 . . . . 21.100000000000001 107.019 -179.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 17.4 mmt -106.88 153.92 40.54 Favored Pre-proline 0 C--O 1.245 0.841 0 C-N-CA 123.856 0.863 . . . . 20.329999999999998 110.426 -178.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -49.93 -40.04 49.3 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 124.752 3.635 . . . . 11.43 116.352 -179.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -73.84 -8.02 54.44 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 114.998 1.481 . . . . 21.140000000000001 114.998 -179.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 51.8 mtt -91.63 -8.91 45.87 Favored 'General case' 0 C--O 1.238 0.481 0 O-C-N 119.13 -2.232 . . . . 14.06 111.438 179.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 64.5 t -112.36 126.89 69.81 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 CA-C-N 121.01 1.732 . . . . 16.789999999999999 109.891 -177.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -72.11 129.63 38.97 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 119.813 -1.804 . . . . 32.490000000000002 110.298 -178.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.16 -1.41 88.72 Favored Glycine 0 C--N 1.337 0.638 0 CA-C-O 118.286 -1.285 . . . . 22.969999999999999 113.642 177.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -82.21 137.68 34.84 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-N 122.108 2.954 . . . . 27.960000000000001 107.587 -179.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.92 134.95 12.05 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 109.346 -3.57 . . . . 41.899999999999999 102.478 169.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 101.849 -3.389 . . . . 54.659999999999997 101.849 174.965 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.969 0 CA-C-O 114.172 -2.823 . . . . 40.509999999999998 103.833 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -122.52 -11.76 8.24 Favored 'General case' 0 N--CA 1.486 1.367 1 CA-C-N 126.105 4.048 . . . . 38.219999999999999 106.489 159.401 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -65.92 134.87 53.89 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.88 -1.054 . . . . 32.82 108.794 166.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.8 149.68 22.07 Favored 'General case' 0 C--N 1.312 -1.043 0 O-C-N 121.189 -0.944 . . . . 14.960000000000001 110.889 176.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.0 m -121.18 167.96 12.11 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 120.019 -1.676 . . . . 10.43 109.322 -177.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 50.6 t -79.33 123.92 36.9 Favored 'Isoleucine or valine' 0 C--O 1.249 1.052 0 N-CA-C 107.593 -1.262 . . . . 9.5800000000000001 107.593 174.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -128.46 148.6 32.91 Favored 'Isoleucine or valine' 0 C--N 1.347 0.465 0 N-CA-C 105.653 -1.981 . . . . 13.800000000000001 105.653 172.837 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.44 124.94 24.6 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 122.802 1.287 . . . . 10.76 111.485 -175.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.76 HD22 HH11 ' A' ' 23' ' ' ARG . 9.4 t-20 -88.15 -7.11 57.39 Favored 'General case' 0 C--N 1.311 -1.09 0 O-C-N 121.064 -1.022 . . . . 15.300000000000001 109.389 -179.887 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -155.23 169.44 24.18 Favored 'General case' 0 N--CA 1.439 -0.978 0 O-C-N 119.147 -2.221 . . . . 27.18 105.959 175.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.541 HD23 ' HA ' ' A' ' 50' ' ' PRO . 2.1 tm? -68.96 130.16 42.0 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 104.003 -2.592 . . . . 18.129999999999999 104.003 175.415 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.7 mt -108.5 109.79 61.51 Favored Pre-proline 0 N--CA 1.436 -1.173 0 N-CA-C 103.693 -2.706 . . . . 11.67 103.693 177.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -61.46 154.84 56.32 Favored 'Trans proline' 0 C--O 1.251 1.126 0 C-N-CA 123.568 2.845 . . . . 13.800000000000001 112.188 177.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 tt -55.28 138.38 15.61 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 N-CA-C 108.318 -0.993 . . . . 13.210000000000001 108.318 176.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.6 m120 64.73 22.52 12.59 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 117.055 2.243 . . . . 25.02 117.055 178.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.5 m -83.39 144.93 29.3 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 120.729 -1.232 . . . . 19.280000000000001 108.916 174.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 69.2 mtm -81.88 128.99 34.61 Favored 'General case' 0 C--O 1.243 0.734 0 N-CA-C 108.09 -1.078 . . . . 37.869999999999997 108.09 170.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.5 mt -69.18 141.98 54.41 Favored 'General case' 0 C--O 1.245 0.862 0 O-C-N 121.845 -0.534 . . . . 15.02 112.064 -174.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.2 p -123.83 166.55 15.43 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 105.674 -1.973 . . . . 15.68 105.674 174.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.8 mt -63.13 -33.39 75.36 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 116.096 1.887 . . . . 16.960000000000001 116.096 179.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.3 p -64.79 -21.16 28.8 Favored 'Isoleucine or valine' 0 C--N 1.344 0.34 0 CA-C-N 120.163 1.347 . . . . 18.75 111.462 178.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 60.7 mtt -82.27 -12.46 58.03 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 117.316 -1.326 . . . . 12.880000000000001 113.195 -176.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 64.4 mtm -123.1 121.96 37.29 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 122.272 2.306 . . . . 13.9 113.929 -170.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.76 HH11 HD22 ' A' ' 8' ' ' ASN . 14.2 ptt180 -112.56 173.78 6.21 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 107.94 -1.133 . . . . 28.73 107.94 174.804 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.9 t -116.59 126.45 53.29 Favored 'General case' 0 C--N 1.313 -1.014 0 C-N-CA 124.635 1.174 . . . . 19.300000000000001 108.744 -178.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -148.64 151.53 35.14 Favored 'General case' 0 CA--C 1.503 -0.832 0 O-C-N 121.117 -0.989 . . . . 22.620000000000001 110.809 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.5 t -89.26 103.34 13.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 104.02 -2.585 . . . . 13.199999999999999 104.02 177.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.8 m -126.48 164.22 27.07 Favored 'Isoleucine or valine' 0 C--O 1.249 1.044 0 CA-C-O 118.367 -0.825 . . . . 15.25 110.592 -177.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.8 p -131.83 137.87 31.22 Favored Pre-proline 0 C--O 1.244 0.796 0 CA-C-N 120.466 1.485 . . . . 23.800000000000001 108.047 175.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -63.92 160.33 65.01 Favored 'Cis proline' 0 C--N 1.348 0.501 0 CA-C-N 121.82 1.686 . . . . 21.640000000000001 114.266 -6.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -84.62 144.24 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.038 0 N-CA-C 107.537 -1.283 . . . . 22.190000000000001 107.537 -174.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.17 -149.14 10.94 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 109.375 -1.49 . . . . 12.880000000000001 109.375 -177.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 89.5 mt -59.01 134.52 87.48 Favored Pre-proline 0 C--O 1.242 0.695 0 N-CA-C 108.133 -1.062 . . . . 13.27 108.133 177.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -64.15 139.32 66.0 Favored 'Trans proline' 0 N--CA 1.454 -0.828 0 C-N-CA 122.415 2.077 . . . . 15.470000000000001 111.229 -173.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.75 -27.93 31.47 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 116.636 2.088 . . . . 15.880000000000001 116.636 179.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' A' ' 35' ' ' GLU . 7.9 mp0 -63.41 -22.18 66.73 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 119.979 -1.701 . . . . 42.07 112.207 179.246 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -84.59 -1.95 56.69 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 114.615 1.339 . . . . 30.16 114.615 -178.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 60.2 mt -50.71 -49.7 77.55 Favored Pre-proline 0 C--O 1.242 0.675 0 CA-C-N 121.491 1.95 . . . . 18.629999999999999 113.064 -179.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -57.23 -28.35 79.13 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 CA-C-N 123.451 2.268 . . . . 25.0 115.485 177.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.9 mtm105 -82.1 -17.91 44.87 Favored 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 120.954 -1.091 . . . . 48.859999999999999 112.837 -178.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.554 ' HA ' ' HE3' ' A' ' 43' ' ' MET . 80.8 mt -82.35 -18.34 42.46 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 116.218 1.932 . . . . 20.829999999999998 116.218 -178.519 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 73.3 t -61.92 135.48 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 O-C-N 120.77 -1.206 . . . . 18.120000000000001 108.639 -178.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.7 m 76.7 0.07 3.09 Favored 'General case' 0 CA--C 1.506 -0.739 0 C-N-CA 126.302 1.841 . . . . 26.960000000000001 114.027 -176.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' MET . . . . . 0.554 ' HE3' ' HA ' ' A' ' 40' ' ' LEU . 8.5 mtm -87.02 154.01 21.11 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 106.031 -1.84 . . . . 32.869999999999997 106.031 173.72 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -101.97 139.28 37.81 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 113.884 1.068 . . . . 35.039999999999999 113.884 -173.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.2 m -89.4 150.7 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 120.471 1.487 . . . . 13.02 107.958 176.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.6 p30 -103.31 6.61 38.1 Favored 'General case' 0 C--N 1.313 -1.004 0 O-C-N 119.859 -1.776 . . . . 23.719999999999999 113.299 -175.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -149.68 167.17 27.18 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 107.303 -1.369 . . . . 31.18 107.303 174.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.24 137.1 52.86 Favored 'General case' 0 C--O 1.253 1.263 0 N-CA-C 108.475 -0.935 . . . . 12.93 108.475 175.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.5 t -120.36 105.8 41.29 Favored Pre-proline 0 N--CA 1.447 -0.616 0 O-C-N 118.129 -2.857 . . . . 12.140000000000001 104.094 179.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.541 ' HA ' HD23 ' A' ' 10' ' ' LEU . 32.1 Cg_exo -60.9 157.3 39.07 Favored 'Trans proline' 0 C--O 1.25 1.076 0 C-N-CA 124.279 3.32 . . . . 12.92 113.483 175.885 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.98 131.07 22.76 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-N 114.638 -1.165 . . . . 16.59 108.994 175.076 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.84 -0.51 89.55 Favored Glycine 0 CA--C 1.529 0.911 0 CA-C-O 116.832 -2.093 . . . . 11.66 115.127 176.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.9 m -80.12 136.19 36.47 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-N 121.558 2.679 . . . . 12.23 109.834 177.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.5 m -70.69 132.66 45.74 Favored 'General case' 0 C--O 1.248 0.993 0 N-CA-C 111.329 0.122 . . . . 12.220000000000001 111.329 174.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.4 tp -81.45 123.93 29.01 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 107.019 -1.475 . . . . 21.100000000000001 107.019 -179.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 17.4 mmt -106.88 153.92 40.54 Favored Pre-proline 0 C--O 1.245 0.841 0 C-N-CA 123.856 0.863 . . . . 20.329999999999998 110.426 -178.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -49.93 -40.04 49.3 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 124.752 3.635 . . . . 11.43 116.352 -179.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -73.84 -8.02 54.44 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 114.998 1.481 . . . . 21.140000000000001 114.998 -179.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 51.8 mtt -91.63 -8.91 45.87 Favored 'General case' 0 C--O 1.238 0.481 0 O-C-N 119.13 -2.232 . . . . 14.06 111.438 179.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 64.5 t -112.36 126.89 69.81 Favored 'Isoleucine or valine' 0 C--N 1.346 0.433 0 CA-C-N 121.01 1.732 . . . . 16.789999999999999 109.891 -177.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -72.11 129.63 38.97 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 119.813 -1.804 . . . . 32.490000000000002 110.298 -178.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.16 -1.41 88.72 Favored Glycine 0 C--N 1.337 0.638 0 CA-C-O 118.286 -1.285 . . . . 22.969999999999999 113.642 177.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -82.21 137.68 34.84 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-N 122.108 2.954 . . . . 27.960000000000001 107.587 -179.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.92 134.95 12.05 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 109.346 -3.57 . . . . 41.899999999999999 102.478 169.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 101.849 -3.389 . . . . 54.659999999999997 101.849 174.965 . . . . . . . . 0 0 . 1 stop_ save_