data_1fda_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 1fda _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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.088 0 N-CA-C 107.345 -1.354 . . . . 20.13 107.345 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -93.44 153.93 18.21 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 106.289 -1.745 . . . . 14.23 106.289 168.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.9 t -128.02 132.54 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.977 0 O-C-N 120.589 -1.319 . . . . 11.8 109.995 -172.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 42.4 t -87.12 125.79 40.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 O-C-N 119.829 -1.794 . . . . 11.84 107.529 174.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 49.6 p -107.03 -166.08 1.13 Allowed 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 122.775 1.274 . . . . 11.47 113.331 179.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -46.74 -40.19 13.02 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 118.931 2.938 . . . . 14.62 118.931 -168.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -75.58 -9.38 58.53 Favored 'General case' 0 C--O 1.254 1.309 0 C-N-CA 116.328 -2.149 . . . . 15.71 115.734 -171.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.85 -35.24 79.58 Favored 'General case' 0 N--CA 1.437 -1.124 0 C-N-CA 119.056 -1.058 . . . . 14.32 109.526 173.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.3 mt -56.41 132.8 20.61 Favored 'Isoleucine or valine' 0 C--O 1.254 1.304 0 CA-C-O 123.517 1.627 . . . . 15.01 109.248 -176.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt 59.93 8.42 1.41 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 112.429 -2.169 . . . . 17.62 115.408 -176.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 59.8 m -106.8 -65.24 1.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 106.329 -1.73 . . . . 16.63 106.329 171.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.1 tttt 42.31 62.16 1.77 Allowed 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 121.314 1.87 . . . . 14.56 113.24 175.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -69.27 -32.84 72.29 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 112.932 -1.94 . . . . 16.98 113.701 -177.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.2 p 60.94 19.77 10.12 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 129.923 3.289 . . . . 15.97 117.345 -176.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -61.91 -31.22 71.51 Favored 'General case' 0 N--CA 1.44 -0.947 0 O-C-N 120.428 -1.42 . . . . 30.06 111.662 175.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.6 p -56.9 -32.43 65.89 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 115.599 1.704 . . . . 15.45 115.599 -177.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.9 m -75.53 -23.62 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 O-C-N 120.783 -1.198 . . . . 19.33 112.163 -175.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.75 -26.02 66.78 Favored 'General case' 0 CA--C 1.504 -0.805 0 O-C-N 119.305 -2.122 . . . . 37.17 111.435 -178.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.0 p -97.43 -9.71 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.705 0 O-C-N 119.832 -1.793 . . . . 20.43 111.251 -174.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.5 t -70.81 118.51 65.84 Favored Pre-proline 0 C--O 1.239 0.531 0 CA-C-N 121.418 1.917 . . . . 16.83 111.423 -174.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -70.53 -25.16 25.34 Favored 'Trans proline' 0 N--CA 1.431 -2.158 0 C-N-CA 121.011 1.14 . . . . 18.8 112.225 179.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 m -111.85 4.66 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 O-C-N 119.234 -2.166 . . . . 19.61 115.047 -175.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 53.78 58.18 5.36 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 123.648 1.69 . . . . 25.97 112.774 176.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.2 p -110.62 27.85 9.25 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 114.198 -1.365 . . . . 16.03 114.574 -177.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -100.29 142.52 31.65 Favored 'General case' 0 C--O 1.242 0.658 0 O-C-N 120.403 -1.436 . . . . 14.83 107.675 173.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -128.46 142.22 51.16 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 104.931 -2.248 . . . . 17.96 104.931 -178.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -102.25 126.47 49.24 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 118.288 2.699 . . . . 21.96 118.288 -167.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -109.7 173.84 17.27 Favored Glycine 0 N--CA 1.425 -2.055 0 N-CA-C 107.885 -2.086 . . . . 15.1 107.885 170.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -50.17 -44.02 40.12 Favored 'Trans proline' 0 N--CA 1.454 -0.853 1 C-N-CA 125.355 4.037 . . . . 15.83 113.297 174.659 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.7 p-10 -140.44 27.57 2.08 Favored 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 119.1 -2.25 . . . . 14.42 112.952 -174.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -164.69 153.69 12.95 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 125.028 1.455 . . . . 12.25 107.655 -177.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 mp -115.6 149.15 38.72 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.46 1.504 . . . . 14.67 111.276 171.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.9 m -126.46 156.55 37.17 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 O-C-N 120.996 -1.065 . . . . 10.63 110.116 174.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.5 mt -103.09 133.55 46.61 Favored 'Isoleucine or valine' 0 C--O 1.246 0.871 0 N-CA-C 106.599 -1.63 . . . . 13.61 106.599 174.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -77.54 114.07 37.58 Favored Pre-proline 0 C--N 1.32 -0.69 0 O-C-N 121.11 -0.994 . . . . 19.76 111.466 174.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -62.5 -26.71 76.38 Favored 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 124.088 3.192 . . . . 22.49 117.246 -169.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -81.77 -29.18 32.91 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 125.13 1.372 . . . . 32.36 112.273 -179.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -84.51 -37.04 21.78 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 116.941 -1.504 . . . . 22.29 114.647 178.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.2 t -56.0 133.63 51.84 Favored 'General case' 0 N--CA 1.427 -1.587 0 O-C-N 126.007 2.067 . . . . 13.69 109.458 179.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.6 pt -105.48 13.13 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 CA-C-N 113.174 -1.83 . . . . 17.94 109.972 178.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 56.17 31.65 18.72 Favored 'General case' 0 CA--C 1.494 -1.183 0 N-CA-C 117.507 2.41 . . . . 20.76 117.507 173.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.7 p -68.38 -17.67 64.29 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 114.619 1.34 . . . . 14.33 114.619 177.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 64.54 10.44 5.85 Favored 'General case' 0 CA--C 1.493 -1.214 0 C-N-CA 125.985 1.714 . . . . 15.12 115.561 177.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -28.22 68.58 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 115.945 1.832 . . . . 15.76 115.945 -178.442 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.6 p -78.13 -30.24 49.27 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 120.716 -1.24 . . . . 16.61 114.064 -178.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -52.55 -48.38 90.45 Favored Pre-proline 0 C--O 1.248 0.983 0 N-CA-C 115.374 1.62 . . . . 30.74 115.374 -178.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.5 -22.31 38.9 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.385 2.723 . . . . 17.34 114.626 172.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -75.81 -26.37 57.19 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 115.587 1.699 . . . . 27.22 115.587 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 41.9 t -65.2 114.97 17.38 Favored Pre-proline 0 CA--C 1.504 -0.812 0 CA-C-N 119.596 1.089 . . . . 15.91 111.287 -177.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.75 -30.46 90.32 Favored 'Trans proline' 0 C--N 1.32 -0.939 0 CA-C-N 123.191 2.175 . . . . 17.99 111.86 173.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.63 1.21 47.22 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 120.027 -1.671 . . . . 15.16 113.321 -177.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 42.09 46.18 3.62 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 126.205 2.907 . . . . 35.23 113.899 -171.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.97 -11.54 32.97 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 113.03 -1.896 . . . . 14.54 114.266 -176.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.2 mt -93.74 137.9 21.66 Favored 'Isoleucine or valine' 0 C--N 1.349 0.548 0 O-C-N 118.044 -2.91 . . . . 13.05 111.156 179.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -135.84 149.85 49.2 Favored 'General case' 0 CA--C 1.509 -0.633 0 C-N-CA 125.872 1.669 . . . . 14.29 108.018 -179.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.4 t -65.2 144.95 56.85 Favored 'General case' 0 N--CA 1.439 -1.01 0 N-CA-C 104.452 -2.425 . . . . 17.9 104.452 167.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -62.42 -29.62 70.63 Favored 'General case' 0 CA--C 1.503 -0.827 0 O-C-N 117.252 -3.405 . . . . 32.18 114.664 -177.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -72.46 -4.97 33.52 Favored 'General case' 0 C--O 1.251 1.139 0 O-C-N 119.824 -1.797 . . . . 35.99 114.957 174.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -122.4 10.61 9.88 Favored 'General case' 0 C--O 1.238 0.475 0 O-C-N 121.708 -0.62 . . . . 31.48 110.613 178.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 77.5 t -61.64 129.72 91.59 Favored Pre-proline 0 C--O 1.233 0.232 0 O-C-N 119.609 -1.932 . . . . 14.99 108.277 177.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -48.37 148.42 7.7 Favored 'Trans proline' 0 C--N 1.321 -0.898 0 C-N-CA 123.158 2.572 . . . . 12.02 114.421 174.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -52.9 -43.13 65.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 123.637 1.684 . . . . 27.25 113.995 176.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -80.6 10.67 4.5 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 119.554 -1.966 . . . . 30.52 111.665 179.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 44.9 mtm -130.65 17.54 5.27 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 121.338 1.881 . . . . 21.06 111.431 175.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -56.57 -25.78 53.32 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 119.859 -1.776 . . . . 12.56 114.933 178.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.09 -30.34 69.18 Favored 'General case' 0 CA--C 1.5 -0.971 0 O-C-N 119.55 -1.969 . . . . 29.43 110.418 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -63.49 -27.22 69.12 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 116.563 -1.684 . . . . 11.9 114.879 -177.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 99.0 mt -58.52 -59.38 3.71 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 CA-C-N 120.431 1.469 . . . . 12.62 109.005 179.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -65.73 -36.66 84.23 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 115.816 -2.04 . . . . 30.07 110.322 177.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mt -57.76 -45.41 85.97 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 123.582 2.901 . . . . 14.19 113.79 177.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -58.32 -42.61 87.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 120.827 -1.17 . . . . 11.96 109.496 175.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.99 -44.38 92.85 Favored 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 121.643 -0.661 . . . . 13.28 112.029 -178.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -69.78 -47.51 62.65 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 115.904 1.816 . . . . 30.82 115.904 178.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.1 mt -76.76 -24.51 52.94 Favored 'General case' 0 CA--C 1.495 -1.166 0 O-C-N 118.082 -2.886 . . . . 15.97 109.922 -175.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.09 -28.42 69.61 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-N 118.544 0.611 . . . . 17.9 109.86 -179.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -75.76 -15.57 60.25 Favored 'General case' 0 N--CA 1.431 -1.38 0 O-C-N 125.18 1.55 . . . . 34.36 112.115 178.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.1 m -117.75 -20.39 5.41 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.855 0 CA-C-N 122.971 2.623 . . . . 22.97 112.338 -175.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 27.5 m0 -88.8 151.28 47.29 Favored Pre-proline 0 C--N 1.319 -0.727 0 O-C-N 120.181 -1.574 . . . . 17.68 112.506 -176.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -66.21 144.17 73.87 Favored 'Trans proline' 0 C--N 1.329 -0.468 0 C-N-CA 123.73 2.953 . . . . 18.23 115.859 174.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -62.24 136.49 57.96 Favored 'General case' 0 CA--C 1.509 -0.619 0 O-C-N 120.797 -1.189 . . . . 23.83 111.097 176.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 6.9 tt -117.44 123.81 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 N-CA-C 106.016 -1.846 . . . . 17.33 106.016 176.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 73.2 p -115.1 -3.99 12.54 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 118.903 -2.373 . . . . 29.11 114.16 178.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -127.3 141.42 51.72 Favored 'General case' 0 C--N 1.344 0.333 0 O-C-N 116.414 -3.929 . . . . 40.37 109.301 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -55.69 151.47 10.9 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 123.722 0.809 . . . . 27.24 110.245 174.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -140.58 -172.22 3.4 Favored 'General case' 0 CA--C 1.498 -1.037 0 N-CA-C 102.657 -3.09 . . . . 24.06 102.657 172.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.13 149.34 82.2 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 120.028 -1.67 . . . . 33.98 110.135 -175.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.41 156.11 32.53 Favored 'Trans proline' 0 C--O 1.246 0.876 0 C-N-CA 124.068 3.179 . . . . 24.39 112.764 173.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.4 mt -58.74 154.24 37.39 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 119.105 -2.247 . . . . 23.85 108.449 173.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -65.16 -31.67 53.81 Favored 'Trans proline' 0 C--O 1.243 0.752 0 C-N-CA 123.533 2.822 . . . . 29.2 115.748 -161.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -108.26 22.36 16.06 Favored 'General case' 0 N--CA 1.444 -0.773 0 O-C-N 126.066 2.104 . . . . 39.24 108.979 -177.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -52.94 -36.52 59.93 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 119.111 -2.243 . . . . 15.85 114.727 -174.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.84 -28.57 58.29 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 118.445 -2.659 . . . . 40.4 111.593 -177.432 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -65.69 -34.64 78.68 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 120.861 1.664 . . . . 27.39 112.695 173.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -92.52 -6.84 48.88 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 115.741 1.756 . . . . 15.01 115.741 -177.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -72.81 113.6 10.02 Favored 'General case' 0 CA--C 1.495 -1.152 0 C-N-CA 124.832 1.253 . . . . 21.25 107.796 -178.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.55 -13.07 54.28 Favored Glycine 0 N--CA 1.439 -1.142 0 O-C-N 120.86 -1.15 . . . . 22.87 110.295 178.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 50.3 t -69.14 137.34 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 CA-C-N 122.768 3.284 . . . . 19.36 104.446 174.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.37 158.48 16.51 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.385 -1.28 . . . . 35.39 111.37 178.126 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 72.36 31.76 63.12 Favored Glycine 0 C--N 1.314 -0.646 0 O-C-N 120.189 -1.569 . . . . 16.96 116.982 176.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -82.31 -2.74 53.68 Favored 'General case' 0 CA--C 1.501 -0.939 0 CA-C-N 119.407 1.603 . . . . 14.65 114.656 -176.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 51.5 tp -58.87 -31.5 68.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 120.469 1.486 . . . . 17.34 112.688 176.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -66.16 -14.32 61.65 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 120.45 -1.406 . . . . 28.5 110.52 177.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -97.29 1.42 49.52 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 114.84 -2.505 . . . . 19.55 113.096 174.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 52.3 tp -62.56 135.39 57.37 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 122.637 2.472 . . . . 16.34 112.489 179.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -110.12 134.13 52.49 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-N 115.702 -0.681 . . . . 34.5 110.82 174.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 . . . . . 0 N--CA 1.445 -0.686 0 O-C-N 124.973 1.421 . . . . 21.88 110.175 177.835 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' SF4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' F3S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.088 0 N-CA-C 107.345 -1.354 . . . . 20.13 107.345 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -93.44 153.93 18.21 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 106.289 -1.745 . . . . 14.23 106.289 168.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.9 t -128.02 132.54 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.977 0 O-C-N 120.589 -1.319 . . . . 11.8 109.995 -172.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 42.4 t -87.12 125.79 40.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 O-C-N 119.829 -1.794 . . . . 11.84 107.529 174.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 49.6 p -107.03 -166.08 1.13 Allowed 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 122.775 1.274 . . . . 11.47 113.331 179.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -46.74 -40.19 13.02 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 118.931 2.938 . . . . 14.62 118.931 -168.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -75.58 -9.38 58.53 Favored 'General case' 0 C--O 1.254 1.309 0 C-N-CA 116.328 -2.149 . . . . 15.71 115.734 -171.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.85 -35.24 79.58 Favored 'General case' 0 N--CA 1.437 -1.124 0 C-N-CA 119.056 -1.058 . . . . 14.32 109.526 173.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.3 mt -56.41 132.8 20.61 Favored 'Isoleucine or valine' 0 C--O 1.254 1.304 0 CA-C-O 123.517 1.627 . . . . 15.01 109.248 -176.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LYS . . . . . 0.498 ' HE3' ' O ' ' A' ' 133' ' ' HOH . 12.5 mtpt 59.93 8.42 1.41 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 112.429 -2.169 . . . . 17.62 115.408 -176.204 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 59.8 m -106.8 -65.24 1.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 106.329 -1.73 . . . . 16.63 106.329 171.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.1 tttt 42.31 62.16 1.77 Allowed 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 121.314 1.87 . . . . 14.56 113.24 175.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -69.27 -32.84 72.29 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 112.932 -1.94 . . . . 16.98 113.701 -177.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.2 p 60.94 19.77 10.12 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 129.923 3.289 . . . . 15.97 117.345 -176.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -61.91 -31.22 71.51 Favored 'General case' 0 N--CA 1.44 -0.947 0 O-C-N 120.428 -1.42 . . . . 30.06 111.662 175.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.6 p -56.9 -32.43 65.89 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 115.599 1.704 . . . . 15.45 115.599 -177.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.9 m -75.53 -23.62 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 O-C-N 120.783 -1.198 . . . . 19.33 112.163 -175.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.75 -26.02 66.78 Favored 'General case' 0 CA--C 1.504 -0.805 0 O-C-N 119.305 -2.122 . . . . 37.17 111.435 -178.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.0 p -97.43 -9.71 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.705 0 O-C-N 119.832 -1.793 . . . . 20.43 111.251 -174.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.5 t -70.81 118.51 65.84 Favored Pre-proline 0 C--O 1.239 0.531 0 CA-C-N 121.418 1.917 . . . . 16.83 111.423 -174.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -70.53 -25.16 25.34 Favored 'Trans proline' 0 N--CA 1.431 -2.158 0 C-N-CA 121.011 1.14 . . . . 18.8 112.225 179.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 m -111.85 4.66 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 O-C-N 119.234 -2.166 . . . . 19.61 115.047 -175.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 53.78 58.18 5.36 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 123.648 1.69 . . . . 25.97 112.774 176.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.2 p -110.62 27.85 9.25 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 114.198 -1.365 . . . . 16.03 114.574 -177.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -100.29 142.52 31.65 Favored 'General case' 0 C--O 1.242 0.658 0 O-C-N 120.403 -1.436 . . . . 14.83 107.675 173.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -128.46 142.22 51.16 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 104.931 -2.248 . . . . 17.96 104.931 -178.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . 0.537 ' HB2' ' HB ' ' A' ' 81' ' ' ILE . 55.4 tt0 -102.25 126.47 49.24 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 118.288 2.699 . . . . 21.96 118.288 -167.012 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -109.7 173.84 17.27 Favored Glycine 0 N--CA 1.425 -2.055 0 N-CA-C 107.885 -2.086 . . . . 15.1 107.885 170.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -50.17 -44.02 40.12 Favored 'Trans proline' 0 N--CA 1.454 -0.853 1 C-N-CA 125.355 4.037 . . . . 15.83 113.297 174.659 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.7 p-10 -140.44 27.57 2.08 Favored 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 119.1 -2.25 . . . . 14.42 112.952 -174.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -164.69 153.69 12.95 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 125.028 1.455 . . . . 12.25 107.655 -177.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 mp -115.6 149.15 38.72 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.46 1.504 . . . . 14.67 111.276 171.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.9 m -126.46 156.55 37.17 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 O-C-N 120.996 -1.065 . . . . 10.63 110.116 174.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.5 mt -103.09 133.55 46.61 Favored 'Isoleucine or valine' 0 C--O 1.246 0.871 0 N-CA-C 106.599 -1.63 . . . . 13.61 106.599 174.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -77.54 114.07 37.58 Favored Pre-proline 0 C--N 1.32 -0.69 0 O-C-N 121.11 -0.994 . . . . 19.76 111.466 174.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -62.5 -26.71 76.38 Favored 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 124.088 3.192 . . . . 22.49 117.246 -169.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -81.77 -29.18 32.91 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 125.13 1.372 . . . . 32.36 112.273 -179.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -84.51 -37.04 21.78 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 116.941 -1.504 . . . . 22.29 114.647 178.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.2 t -56.0 133.63 51.84 Favored 'General case' 0 N--CA 1.427 -1.587 0 O-C-N 126.007 2.067 . . . . 13.69 109.458 179.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.6 pt -105.48 13.13 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 CA-C-N 113.174 -1.83 . . . . 17.94 109.972 178.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 56.17 31.65 18.72 Favored 'General case' 0 CA--C 1.494 -1.183 0 N-CA-C 117.507 2.41 . . . . 20.76 117.507 173.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' A' ' 44' ' ' LEU . 10.7 p -68.38 -17.67 64.29 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 114.619 1.34 . . . . 14.33 114.619 177.376 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 64.54 10.44 5.85 Favored 'General case' 0 CA--C 1.493 -1.214 0 C-N-CA 125.985 1.714 . . . . 15.12 115.561 177.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . 0.547 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -66.2 -28.22 68.58 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 115.945 1.832 . . . . 15.76 115.945 -178.442 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.6 p -78.13 -30.24 49.27 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 120.716 -1.24 . . . . 16.61 114.064 -178.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -52.55 -48.38 90.45 Favored Pre-proline 0 C--O 1.248 0.983 0 N-CA-C 115.374 1.62 . . . . 30.74 115.374 -178.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.5 -22.31 38.9 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.385 2.723 . . . . 17.34 114.626 172.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -75.81 -26.37 57.19 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 115.587 1.699 . . . . 27.22 115.587 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 41.9 t -65.2 114.97 17.38 Favored Pre-proline 0 CA--C 1.504 -0.812 0 CA-C-N 119.596 1.089 . . . . 15.91 111.287 -177.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.75 -30.46 90.32 Favored 'Trans proline' 0 C--N 1.32 -0.939 0 CA-C-N 123.191 2.175 . . . . 17.99 111.86 173.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.63 1.21 47.22 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 120.027 -1.671 . . . . 15.16 113.321 -177.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 42.09 46.18 3.62 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 126.205 2.907 . . . . 35.23 113.899 -171.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.97 -11.54 32.97 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 113.03 -1.896 . . . . 14.54 114.266 -176.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.2 mt -93.74 137.9 21.66 Favored 'Isoleucine or valine' 0 C--N 1.349 0.548 0 O-C-N 118.044 -2.91 . . . . 13.05 111.156 179.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -135.84 149.85 49.2 Favored 'General case' 0 CA--C 1.509 -0.633 0 C-N-CA 125.872 1.669 . . . . 14.29 108.018 -179.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.4 t -65.2 144.95 56.85 Favored 'General case' 0 N--CA 1.439 -1.01 0 N-CA-C 104.452 -2.425 . . . . 17.9 104.452 167.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLU . . . . . 0.454 ' HA ' HG23 ' A' ' 60' ' ' VAL . 10.8 pt-20 -62.42 -29.62 70.63 Favored 'General case' 0 CA--C 1.503 -0.827 0 O-C-N 117.252 -3.405 . . . . 32.18 114.664 -177.868 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -72.46 -4.97 33.52 Favored 'General case' 0 C--O 1.251 1.139 0 O-C-N 119.824 -1.797 . . . . 35.99 114.957 174.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -122.4 10.61 9.88 Favored 'General case' 0 C--O 1.238 0.475 0 O-C-N 121.708 -0.62 . . . . 31.48 110.613 178.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' VAL . . . . . 0.454 HG23 ' HA ' ' A' ' 57' ' ' GLU . 77.5 t -61.64 129.72 91.59 Favored Pre-proline 0 C--O 1.233 0.232 0 O-C-N 119.609 -1.932 . . . . 14.99 108.277 177.42 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -48.37 148.42 7.7 Favored 'Trans proline' 0 C--N 1.321 -0.898 0 C-N-CA 123.158 2.572 . . . . 12.02 114.421 174.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -52.9 -43.13 65.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 123.637 1.684 . . . . 27.25 113.995 176.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -80.6 10.67 4.5 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 119.554 -1.966 . . . . 30.52 111.665 179.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 44.9 mtm -130.65 17.54 5.27 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 121.338 1.881 . . . . 21.06 111.431 175.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -56.57 -25.78 53.32 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 119.859 -1.776 . . . . 12.56 114.933 178.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.09 -30.34 69.18 Favored 'General case' 0 CA--C 1.5 -0.971 0 O-C-N 119.55 -1.969 . . . . 29.43 110.418 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -63.49 -27.22 69.12 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 116.563 -1.684 . . . . 11.9 114.879 -177.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 99.0 mt -58.52 -59.38 3.71 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 CA-C-N 120.431 1.469 . . . . 12.62 109.005 179.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -65.73 -36.66 84.23 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 115.816 -2.04 . . . . 30.07 110.322 177.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mt -57.76 -45.41 85.97 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 123.582 2.901 . . . . 14.19 113.79 177.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -58.32 -42.61 87.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 120.827 -1.17 . . . . 11.96 109.496 175.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.99 -44.38 92.85 Favored 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 121.643 -0.661 . . . . 13.28 112.029 -178.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -69.78 -47.51 62.65 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 115.904 1.816 . . . . 30.82 115.904 178.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.1 mt -76.76 -24.51 52.94 Favored 'General case' 0 CA--C 1.495 -1.166 0 O-C-N 118.082 -2.886 . . . . 15.97 109.922 -175.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.09 -28.42 69.61 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-N 118.544 0.611 . . . . 17.9 109.86 -179.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -75.76 -15.57 60.25 Favored 'General case' 0 N--CA 1.431 -1.38 0 O-C-N 125.18 1.55 . . . . 34.36 112.115 178.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.1 m -117.75 -20.39 5.41 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.855 0 CA-C-N 122.971 2.623 . . . . 22.97 112.338 -175.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 27.5 m0 -88.8 151.28 47.29 Favored Pre-proline 0 C--N 1.319 -0.727 0 O-C-N 120.181 -1.574 . . . . 17.68 112.506 -176.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -66.21 144.17 73.87 Favored 'Trans proline' 0 C--N 1.329 -0.468 0 C-N-CA 123.73 2.953 . . . . 18.23 115.859 174.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -62.24 136.49 57.96 Favored 'General case' 0 CA--C 1.509 -0.619 0 O-C-N 120.797 -1.189 . . . . 23.83 111.097 176.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ILE . . . . . 0.537 ' HB ' ' HB2' ' A' ' 27' ' ' GLU . 6.9 tt -117.44 123.81 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 N-CA-C 106.016 -1.846 . . . . 17.33 106.016 176.02 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 73.2 p -115.1 -3.99 12.54 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 118.903 -2.373 . . . . 29.11 114.16 178.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -127.3 141.42 51.72 Favored 'General case' 0 C--N 1.344 0.333 0 O-C-N 116.414 -3.929 . . . . 40.37 109.301 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LYS . . . . . 0.561 ' HE3' ' O ' ' A' ' 85' ' ' LYS . 3.3 tttp -55.69 151.47 10.9 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 123.722 0.809 . . . . 27.24 110.245 174.134 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LYS . . . . . 0.561 ' O ' ' HE3' ' A' ' 84' ' ' LYS . 5.2 ptmt -140.58 -172.22 3.4 Favored 'General case' 0 CA--C 1.498 -1.037 0 N-CA-C 102.657 -3.09 . . . . 24.06 102.657 172.963 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.13 149.34 82.2 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 120.028 -1.67 . . . . 33.98 110.135 -175.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.41 156.11 32.53 Favored 'Trans proline' 0 C--O 1.246 0.876 0 C-N-CA 124.068 3.179 . . . . 24.39 112.764 173.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.4 mt -58.74 154.24 37.39 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 119.105 -2.247 . . . . 23.85 108.449 173.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -65.16 -31.67 53.81 Favored 'Trans proline' 0 C--O 1.243 0.752 0 C-N-CA 123.533 2.822 . . . . 29.2 115.748 -161.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -108.26 22.36 16.06 Favored 'General case' 0 N--CA 1.444 -0.773 0 O-C-N 126.066 2.104 . . . . 39.24 108.979 -177.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -52.94 -36.52 59.93 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 119.111 -2.243 . . . . 15.85 114.727 -174.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' A' ' 92' ' ' GLU . 0.9 OUTLIER -75.84 -28.57 58.29 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 118.445 -2.659 . . . . 40.4 111.593 -177.432 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -65.69 -34.64 78.68 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 120.861 1.664 . . . . 27.39 112.695 173.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -92.52 -6.84 48.88 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 115.741 1.756 . . . . 15.01 115.741 -177.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -72.81 113.6 10.02 Favored 'General case' 0 CA--C 1.495 -1.152 0 C-N-CA 124.832 1.253 . . . . 21.25 107.796 -178.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.55 -13.07 54.28 Favored Glycine 0 N--CA 1.439 -1.142 0 O-C-N 120.86 -1.15 . . . . 22.87 110.295 178.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 50.3 t -69.14 137.34 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 CA-C-N 122.768 3.284 . . . . 19.36 104.446 174.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.37 158.48 16.51 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.385 -1.28 . . . . 35.39 111.37 178.126 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 72.36 31.76 63.12 Favored Glycine 0 C--N 1.314 -0.646 0 O-C-N 120.189 -1.569 . . . . 16.96 116.982 176.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -82.31 -2.74 53.68 Favored 'General case' 0 CA--C 1.501 -0.939 0 CA-C-N 119.407 1.603 . . . . 14.65 114.656 -176.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 51.5 tp -58.87 -31.5 68.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 120.469 1.486 . . . . 17.34 112.688 176.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -66.16 -14.32 61.65 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 120.45 -1.406 . . . . 28.5 110.52 177.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -97.29 1.42 49.52 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 114.84 -2.505 . . . . 19.55 113.096 174.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 52.3 tp -62.56 135.39 57.37 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 122.637 2.472 . . . . 16.34 112.489 179.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -110.12 134.13 52.49 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-N 115.702 -0.681 . . . . 34.5 110.82 174.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 . . . . . 0 N--CA 1.445 -0.686 0 O-C-N 124.973 1.421 . . . . 21.88 110.175 177.835 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' SF4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' F3S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . 0.498 ' O ' ' HE3' ' A' ' 10' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.088 0 N-CA-C 107.345 -1.354 . . . . 20.13 107.345 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -93.44 153.93 18.21 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 106.289 -1.745 . . . . 14.23 106.289 168.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.9 t -128.02 132.54 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.977 0 O-C-N 120.589 -1.319 . . . . 11.8 109.995 -172.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 42.4 t -87.12 125.79 40.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 O-C-N 119.829 -1.794 . . . . 11.84 107.529 174.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 49.6 p -107.03 -166.08 1.13 Allowed 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 122.775 1.274 . . . . 11.47 113.331 179.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -46.74 -40.19 13.02 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 118.931 2.938 . . . . 14.62 118.931 -168.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -75.58 -9.38 58.53 Favored 'General case' 0 C--O 1.254 1.309 0 C-N-CA 116.328 -2.149 . . . . 15.71 115.734 -171.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.6 t -66.85 -35.24 79.58 Favored 'General case' 0 N--CA 1.437 -1.124 0 C-N-CA 119.056 -1.058 . . . . 14.32 109.526 173.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.3 mt -56.41 132.8 20.61 Favored 'Isoleucine or valine' 0 C--O 1.254 1.304 0 CA-C-O 123.517 1.627 . . . . 15.01 109.248 -176.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.498 ' HE3' ' O ' ' A' ' 133' ' ' HOH . 12.5 mtpt 59.93 8.42 1.41 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 112.429 -2.169 . . . . 17.62 115.408 -176.204 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 59.8 m -106.8 -65.24 1.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 106.329 -1.73 . . . . 16.63 106.329 171.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 81.1 tttt 42.31 62.16 1.77 Allowed 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 121.314 1.87 . . . . 14.56 113.24 175.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -69.27 -32.84 72.29 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 112.932 -1.94 . . . . 16.98 113.701 -177.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.2 p 60.94 19.77 10.12 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 129.923 3.289 . . . . 15.97 117.345 -176.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -61.91 -31.22 71.51 Favored 'General case' 0 N--CA 1.44 -0.947 0 O-C-N 120.428 -1.42 . . . . 30.06 111.662 175.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.6 p -56.9 -32.43 65.89 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 115.599 1.704 . . . . 15.45 115.599 -177.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.9 m -75.53 -23.62 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 O-C-N 120.783 -1.198 . . . . 19.33 112.163 -175.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.75 -26.02 66.78 Favored 'General case' 0 CA--C 1.504 -0.805 0 O-C-N 119.305 -2.122 . . . . 37.17 111.435 -178.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.0 p -97.43 -9.71 8.97 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.705 0 O-C-N 119.832 -1.793 . . . . 20.43 111.251 -174.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.5 t -70.81 118.51 65.84 Favored Pre-proline 0 C--O 1.239 0.531 0 CA-C-N 121.418 1.917 . . . . 16.83 111.423 -174.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -70.53 -25.16 25.34 Favored 'Trans proline' 0 N--CA 1.431 -2.158 0 C-N-CA 121.011 1.14 . . . . 18.8 112.225 179.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 m -111.85 4.66 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 O-C-N 119.234 -2.166 . . . . 19.61 115.047 -175.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 53.78 58.18 5.36 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 123.648 1.69 . . . . 25.97 112.774 176.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.2 p -110.62 27.85 9.25 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 114.198 -1.365 . . . . 16.03 114.574 -177.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -100.29 142.52 31.65 Favored 'General case' 0 C--O 1.242 0.658 0 O-C-N 120.403 -1.436 . . . . 14.83 107.675 173.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -128.46 142.22 51.16 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 104.931 -2.248 . . . . 17.96 104.931 -178.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.537 ' HB2' ' HB ' ' A' ' 81' ' ' ILE . 55.4 tt0 -102.25 126.47 49.24 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 118.288 2.699 . . . . 21.96 118.288 -167.012 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -109.7 173.84 17.27 Favored Glycine 0 N--CA 1.425 -2.055 0 N-CA-C 107.885 -2.086 . . . . 15.1 107.885 170.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -50.17 -44.02 40.12 Favored 'Trans proline' 0 N--CA 1.454 -0.853 1 C-N-CA 125.355 4.037 . . . . 15.83 113.297 174.659 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.7 p-10 -140.44 27.57 2.08 Favored 'General case' 0 CA--C 1.51 -0.586 0 O-C-N 119.1 -2.25 . . . . 14.42 112.952 -174.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -164.69 153.69 12.95 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 125.028 1.455 . . . . 12.25 107.655 -177.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 mp -115.6 149.15 38.72 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.46 1.504 . . . . 14.67 111.276 171.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.9 m -126.46 156.55 37.17 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 O-C-N 120.996 -1.065 . . . . 10.63 110.116 174.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.5 mt -103.09 133.55 46.61 Favored 'Isoleucine or valine' 0 C--O 1.246 0.871 0 N-CA-C 106.599 -1.63 . . . . 13.61 106.599 174.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -77.54 114.07 37.58 Favored Pre-proline 0 C--N 1.32 -0.69 0 O-C-N 121.11 -0.994 . . . . 19.76 111.466 174.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -62.5 -26.71 76.38 Favored 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 124.088 3.192 . . . . 22.49 117.246 -169.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -81.77 -29.18 32.91 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 125.13 1.372 . . . . 32.36 112.273 -179.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -84.51 -37.04 21.78 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 116.941 -1.504 . . . . 22.29 114.647 178.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.2 t -56.0 133.63 51.84 Favored 'General case' 0 N--CA 1.427 -1.587 0 O-C-N 126.007 2.067 . . . . 13.69 109.458 179.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.6 pt -105.48 13.13 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.356 0 CA-C-N 113.174 -1.83 . . . . 17.94 109.972 178.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 56.17 31.65 18.72 Favored 'General case' 0 CA--C 1.494 -1.183 0 N-CA-C 117.507 2.41 . . . . 20.76 117.507 173.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' A' ' 44' ' ' LEU . 10.7 p -68.38 -17.67 64.29 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 114.619 1.34 . . . . 14.33 114.619 177.376 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 64.54 10.44 5.85 Favored 'General case' 0 CA--C 1.493 -1.214 0 C-N-CA 125.985 1.714 . . . . 15.12 115.561 177.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.547 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -66.2 -28.22 68.58 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 115.945 1.832 . . . . 15.76 115.945 -178.442 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 13.6 p -78.13 -30.24 49.27 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 120.716 -1.24 . . . . 16.61 114.064 -178.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -52.55 -48.38 90.45 Favored Pre-proline 0 C--O 1.248 0.983 0 N-CA-C 115.374 1.62 . . . . 30.74 115.374 -178.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.5 -22.31 38.9 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.385 2.723 . . . . 17.34 114.626 172.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -75.81 -26.37 57.19 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 115.587 1.699 . . . . 27.22 115.587 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 41.9 t -65.2 114.97 17.38 Favored Pre-proline 0 CA--C 1.504 -0.812 0 CA-C-N 119.596 1.089 . . . . 15.91 111.287 -177.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.75 -30.46 90.32 Favored 'Trans proline' 0 C--N 1.32 -0.939 0 CA-C-N 123.191 2.175 . . . . 17.99 111.86 173.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.63 1.21 47.22 Favored 'General case' 0 C--O 1.245 0.83 0 O-C-N 120.027 -1.671 . . . . 15.16 113.321 -177.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 42.09 46.18 3.62 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 126.205 2.907 . . . . 35.23 113.899 -171.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.97 -11.54 32.97 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 113.03 -1.896 . . . . 14.54 114.266 -176.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.2 mt -93.74 137.9 21.66 Favored 'Isoleucine or valine' 0 C--N 1.349 0.548 0 O-C-N 118.044 -2.91 . . . . 13.05 111.156 179.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -135.84 149.85 49.2 Favored 'General case' 0 CA--C 1.509 -0.633 0 C-N-CA 125.872 1.669 . . . . 14.29 108.018 -179.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.4 t -65.2 144.95 56.85 Favored 'General case' 0 N--CA 1.439 -1.01 0 N-CA-C 104.452 -2.425 . . . . 17.9 104.452 167.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.454 ' HA ' HG23 ' A' ' 60' ' ' VAL . 10.8 pt-20 -62.42 -29.62 70.63 Favored 'General case' 0 CA--C 1.503 -0.827 0 O-C-N 117.252 -3.405 . . . . 32.18 114.664 -177.868 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -72.46 -4.97 33.52 Favored 'General case' 0 C--O 1.251 1.139 0 O-C-N 119.824 -1.797 . . . . 35.99 114.957 174.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -122.4 10.61 9.88 Favored 'General case' 0 C--O 1.238 0.475 0 O-C-N 121.708 -0.62 . . . . 31.48 110.613 178.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.454 HG23 ' HA ' ' A' ' 57' ' ' GLU . 77.5 t -61.64 129.72 91.59 Favored Pre-proline 0 C--O 1.233 0.232 0 O-C-N 119.609 -1.932 . . . . 14.99 108.277 177.42 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -48.37 148.42 7.7 Favored 'Trans proline' 0 C--N 1.321 -0.898 0 C-N-CA 123.158 2.572 . . . . 12.02 114.421 174.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -52.9 -43.13 65.97 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 123.637 1.684 . . . . 27.25 113.995 176.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.5 p-10 -80.6 10.67 4.5 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 119.554 -1.966 . . . . 30.52 111.665 179.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 44.9 mtm -130.65 17.54 5.27 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 121.338 1.881 . . . . 21.06 111.431 175.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -56.57 -25.78 53.32 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 119.859 -1.776 . . . . 12.56 114.933 178.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.09 -30.34 69.18 Favored 'General case' 0 CA--C 1.5 -0.971 0 O-C-N 119.55 -1.969 . . . . 29.43 110.418 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -63.49 -27.22 69.12 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 116.563 -1.684 . . . . 11.9 114.879 -177.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 99.0 mt -58.52 -59.38 3.71 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.614 0 CA-C-N 120.431 1.469 . . . . 12.62 109.005 179.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -65.73 -36.66 84.23 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 115.816 -2.04 . . . . 30.07 110.322 177.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mt -57.76 -45.41 85.97 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 123.582 2.901 . . . . 14.19 113.79 177.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -58.32 -42.61 87.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 120.827 -1.17 . . . . 11.96 109.496 175.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.99 -44.38 92.85 Favored 'General case' 0 N--CA 1.442 -0.85 0 O-C-N 121.643 -0.661 . . . . 13.28 112.029 -178.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -69.78 -47.51 62.65 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 115.904 1.816 . . . . 30.82 115.904 178.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.1 mt -76.76 -24.51 52.94 Favored 'General case' 0 CA--C 1.495 -1.166 0 O-C-N 118.082 -2.886 . . . . 15.97 109.922 -175.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -62.09 -28.42 69.61 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-N 118.544 0.611 . . . . 17.9 109.86 -179.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -75.76 -15.57 60.25 Favored 'General case' 0 N--CA 1.431 -1.38 0 O-C-N 125.18 1.55 . . . . 34.36 112.115 178.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.1 m -117.75 -20.39 5.41 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.855 0 CA-C-N 122.971 2.623 . . . . 22.97 112.338 -175.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 27.5 m0 -88.8 151.28 47.29 Favored Pre-proline 0 C--N 1.319 -0.727 0 O-C-N 120.181 -1.574 . . . . 17.68 112.506 -176.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -66.21 144.17 73.87 Favored 'Trans proline' 0 C--N 1.329 -0.468 0 C-N-CA 123.73 2.953 . . . . 18.23 115.859 174.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -62.24 136.49 57.96 Favored 'General case' 0 CA--C 1.509 -0.619 0 O-C-N 120.797 -1.189 . . . . 23.83 111.097 176.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.537 ' HB ' ' HB2' ' A' ' 27' ' ' GLU . 6.9 tt -117.44 123.81 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 N-CA-C 106.016 -1.846 . . . . 17.33 106.016 176.02 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 73.2 p -115.1 -3.99 12.54 Favored 'General case' 0 CA--C 1.55 0.956 0 O-C-N 118.903 -2.373 . . . . 29.11 114.16 178.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -127.3 141.42 51.72 Favored 'General case' 0 C--N 1.344 0.333 0 O-C-N 116.414 -3.929 . . . . 40.37 109.301 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.561 ' HE3' ' O ' ' A' ' 85' ' ' LYS . 3.3 tttp -55.69 151.47 10.9 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 123.722 0.809 . . . . 27.24 110.245 174.134 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.561 ' O ' ' HE3' ' A' ' 84' ' ' LYS . 5.2 ptmt -140.58 -172.22 3.4 Favored 'General case' 0 CA--C 1.498 -1.037 0 N-CA-C 102.657 -3.09 . . . . 24.06 102.657 172.963 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -76.13 149.34 82.2 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 120.028 -1.67 . . . . 33.98 110.135 -175.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.41 156.11 32.53 Favored 'Trans proline' 0 C--O 1.246 0.876 0 C-N-CA 124.068 3.179 . . . . 24.39 112.764 173.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 91.4 mt -58.74 154.24 37.39 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 119.105 -2.247 . . . . 23.85 108.449 173.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -65.16 -31.67 53.81 Favored 'Trans proline' 0 C--O 1.243 0.752 0 C-N-CA 123.533 2.822 . . . . 29.2 115.748 -161.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -108.26 22.36 16.06 Favored 'General case' 0 N--CA 1.444 -0.773 0 O-C-N 126.066 2.104 . . . . 39.24 108.979 -177.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -52.94 -36.52 59.93 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 119.111 -2.243 . . . . 15.85 114.727 -174.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.44 ' H ' ' CD ' ' A' ' 92' ' ' GLU . 0.9 OUTLIER -75.84 -28.57 58.29 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 118.445 -2.659 . . . . 40.4 111.593 -177.432 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -65.69 -34.64 78.68 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 120.861 1.664 . . . . 27.39 112.695 173.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -92.52 -6.84 48.88 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 115.741 1.756 . . . . 15.01 115.741 -177.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -72.81 113.6 10.02 Favored 'General case' 0 CA--C 1.495 -1.152 0 C-N-CA 124.832 1.253 . . . . 21.25 107.796 -178.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 103.55 -13.07 54.28 Favored Glycine 0 N--CA 1.439 -1.142 0 O-C-N 120.86 -1.15 . . . . 22.87 110.295 178.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 50.3 t -69.14 137.34 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 CA-C-N 122.768 3.284 . . . . 19.36 104.446 174.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.37 158.48 16.51 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 114.385 -1.28 . . . . 35.39 111.37 178.126 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 72.36 31.76 63.12 Favored Glycine 0 C--N 1.314 -0.646 0 O-C-N 120.189 -1.569 . . . . 16.96 116.982 176.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -82.31 -2.74 53.68 Favored 'General case' 0 CA--C 1.501 -0.939 0 CA-C-N 119.407 1.603 . . . . 14.65 114.656 -176.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 51.5 tp -58.87 -31.5 68.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 120.469 1.486 . . . . 17.34 112.688 176.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -66.16 -14.32 61.65 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 120.45 -1.406 . . . . 28.5 110.52 177.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -97.29 1.42 49.52 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 114.84 -2.505 . . . . 19.55 113.096 174.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 52.3 tp -62.56 135.39 57.37 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 122.637 2.472 . . . . 16.34 112.489 179.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -110.12 134.13 52.49 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-N 115.702 -0.681 . . . . 34.5 110.82 174.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 . . . . . 0 N--CA 1.445 -0.686 0 O-C-N 124.973 1.421 . . . . 21.88 110.175 177.835 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' SF4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' F3S . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . 0.498 ' O ' ' HE3' ' A' ' 10' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_