data_1ezg_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 1ezg _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 ' 2' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 . . . . . 0 N--CA 1.468 0.454 0 CA-C-O 118.65 -0.69 . . . . 42.69 110.678 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.7 m -124.74 -0.8 7.98 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 125.47 1.731 . . . . 18.82 113.72 -163.907 -73.037 -74.51 106.485 103.858 2.018 102.987 81.418 -175.965 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.5 m -137.96 121.01 16.69 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.634 1.834 . . . . 20.47 113.181 -168.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 78.01 167.74 30.9 Favored Glycine 0 C--N 1.344 1.009 0 CA-C-O 122.547 1.082 . . . . 16.2 111.896 173.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.41 179.41 49.46 Favored Glycine 0 N--CA 1.476 1.315 0 O-C-N 119.329 -2.277 . . . . 17.12 113.482 173.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.42 -27.61 20.29 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 119.184 -2.362 . . . . 20.72 114.18 -176.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -136.54 130.59 32.66 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 116.725 -1.99 . . . . 31.9 110.854 -176.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.7 m -131.6 43.48 3.05 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 124.448 1.099 . . . . 17.35 110.773 173.358 -62.203 83.032 110.006 104.619 2.043 101.902 165.349 -175.814 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.8 m -53.47 -38.99 64.14 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 113.307 0.854 . . . . 22.05 113.307 -175.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.0 p -82.75 -2.47 54.42 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 115.787 1.773 . . . . 26.41 115.787 -177.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -68.12 121.15 15.55 Favored 'General case' 0 C--O 1.246 0.885 0 O-C-N 120.935 -1.103 . . . . 17.66 111.946 179.57 -175.965 81.418 106.485 102.987 2.018 103.858 -74.51 -73.037 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.4 p -110.88 7.71 21.92 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 119.894 -0.722 . . . . 20.67 112.848 172.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.53 -133.1 7.81 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-O 124.188 1.993 . . . . 16.42 110.929 -178.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.76 117.19 30.5 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 120.731 -1.452 . . . . 19.62 108.232 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.63 132.44 36.88 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.356 1.66 . . . . 21.61 109.832 177.907 -129.556 -142.065 -79.899 101.543 2.055 103.493 -101.909 -64.743 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.7 m -134.04 119.85 19.48 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 114.496 -2.669 . . . . 18.68 110.426 -175.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.74 33.38 87.09 Favored Glycine 0 N--CA 1.464 0.53 0 O-C-N 126.524 2.39 . . . . 15.6 113.385 176.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t -121.34 146.09 47.21 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 118.878 -1.129 . . . . 15.84 111.759 -174.8 -175.814 165.349 110.006 101.902 2.043 104.619 83.032 -62.203 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.1 -2.22 89.45 Favored Glycine 0 N--CA 1.431 -1.672 0 N-CA-C 116.39 1.316 . . . . 14.73 116.39 -168.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -159.85 103.71 1.52 Allowed 'General case' 0 C--O 1.235 0.34 0 C-N-CA 119.209 -0.996 . . . . 16.83 109.548 175.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.1 m -124.72 58.14 16.94 Favored Pre-proline 0 CA--C 1.508 -0.67 0 O-C-N 125.156 1.535 . . . . 15.79 114.228 -176.663 -64.743 -101.909 -79.899 103.493 2.055 101.543 -142.065 -129.556 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -72.21 -9.2 24.07 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 121.984 1.789 . . . . 17.32 116.051 -172.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASN . . . . . 0.447 ' OD1' ' NZ ' ' A' ' 36' ' ' LYS . 70.8 m-80 -116.66 -0.83 12.27 Favored 'General case' 0 CA--C 1.518 -0.254 0 O-C-N 124.764 1.29 . . . . 21.05 113.509 177.877 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.46 150.02 46.63 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 122.003 0.906 . . . . 17.21 110.638 -175.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.1 m -89.21 -24.58 5.92 Favored 'Isoleucine or valine' 0 C--N 1.342 0.26 0 O-C-N 120.906 -1.121 . . . . 21.41 111.512 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.2 m -130.89 142.27 50.36 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 118.927 -0.559 . . . . 17.93 110.52 174.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.1 m -128.99 138.15 51.78 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 123.524 0.515 . . . . 12.99 111.609 174.198 -81.493 -168.21 -95.972 100.446 2.059 102.065 -115.813 -65.256 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 86.6 m -129.23 120.5 25.86 Favored 'General case' 0 N--CA 1.443 -0.808 0 O-C-N 126.62 2.45 . . . . 12.52 109.172 168.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.0 m120 50.65 47.05 24.97 Favored 'General case' 0 C--O 1.236 0.395 0 O-C-N 125.366 1.666 . . . . 18.83 111.306 179.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.3 m -128.46 167.2 17.39 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 123.084 1.421 . . . . 12.65 110.487 -178.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -111.55 152.09 27.94 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 115.991 1.848 . . . . 49.62 115.991 -179.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 64.02 42.66 5.63 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 124.264 1.983 . . . . 17.6 112.839 170.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 96.5 m -87.7 58.83 5.1 Favored 'General case' 0 C--N 1.363 1.156 0 CA-C-N 113.52 -1.673 . . . . 13.55 113.649 -174.685 -65.256 -115.813 -95.972 102.065 2.059 100.446 -168.21 -81.493 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.6 m -70.32 -18.77 21.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-O 116.187 -1.863 . . . . 15.05 113.594 -165.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LYS . . . . . 0.447 ' NZ ' ' OD1' ' A' ' 24' ' ' ASN . 85.4 mttt -107.97 -4.53 17.79 Favored 'General case' 0 C--O 1.245 0.863 0 O-C-N 124.915 1.385 . . . . 57.56 112.531 179.473 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.47 145.79 53.26 Favored 'General case' 0 C--O 1.201 -1.455 0 CA-C-O 123.672 1.701 . . . . 12.85 110.912 -173.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -92.05 -24.07 19.29 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 113.22 -1.809 . . . . 16.61 112.247 172.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.2 m -134.05 136.93 44.34 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 119.271 -2.143 . . . . 16.16 111.081 174.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.9 m -131.9 138.69 48.5 Favored 'General case' 0 C--N 1.323 -0.547 1 O-C-N 129.114 4.009 . . . . 13.48 112.484 178.533 -84.445 -162.85 -88.367 101.604 2.039 103.953 -112.436 -69.433 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.0 m -128.74 125.61 38.26 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 115.569 -2.158 . . . . 15.58 108.873 170.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 56.52 34.28 63.68 Favored Glycine 0 C--O 1.263 1.959 0 CA-C-N 120.677 1.581 . . . . 12.97 114.013 177.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.5 m -127.56 167.62 16.09 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 120.023 1.911 . . . . 12.46 113.142 -170.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.8 p -116.97 162.81 17.18 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 118.162 -1.415 . . . . 13.92 112.703 -176.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 49.42 44.62 23.92 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 125.818 1.647 . . . . 16.63 113.361 -177.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 99.2 m -82.23 56.85 3.35 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 122.998 1.38 . . . . 14.56 110.269 -178.236 -69.433 -112.436 -88.367 103.953 2.039 101.604 -162.85 -84.445 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -66.6 -20.41 66.0 Favored 'General case' 0 C--O 1.245 0.828 0 CA-C-O 115.791 -2.052 . . . . 14.13 113.912 -165.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.0 p -125.14 14.01 8.38 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 126.643 2.464 . . . . 15.92 111.138 -178.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.27 141.63 57.96 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 124.334 2.016 . . . . 14.3 109.852 178.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -84.22 -23.16 30.61 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 118.881 -2.387 . . . . 17.38 114.388 168.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.7 m -132.13 129.11 39.45 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 117.649 -1.167 . . . . 17.01 111.238 176.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 20.9 m -129.19 136.83 50.66 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 127.082 2.739 . . . . 13.71 109.88 177.046 -80.386 -172.492 -95.581 101.324 2.045 102.922 -122.184 -64.374 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.6 m -127.15 125.83 41.84 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 113.672 -3.061 . . . . 16.62 109.034 168.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 63.8 t30 45.77 48.95 11.68 Favored 'General case' 0 C--N 1.312 -1.044 0 O-C-N 128.284 3.49 . . . . 22.38 109.21 -178.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.4 m -130.85 167.15 19.41 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 122.298 1.047 . . . . 13.51 111.257 -178.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -115.25 144.71 43.32 Favored 'General case' 0 C--O 1.243 0.733 0 N-CA-C 115.466 1.654 . . . . 41.18 115.466 -172.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 56.14 56.25 6.04 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 127.82 3.2 . . . . 21.66 113.904 177.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 84.3 m -92.53 65.01 4.34 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 114.214 -1.357 . . . . 13.78 109.141 -175.676 -64.374 -122.184 -95.581 102.922 2.045 101.324 -172.492 -80.386 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -64.23 -21.73 66.69 Favored 'General case' 0 N--CA 1.436 -1.137 0 N-CA-C 113.581 0.956 . . . . 16.71 113.581 -166.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -110.24 -11.52 14.55 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 117.836 -1.078 . . . . 34.38 111.592 -171.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.24 141.74 57.31 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 123.113 1.435 . . . . 14.91 113.12 -170.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -88.29 -15.46 35.71 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 116.636 -2.026 . . . . 38.27 113.052 170.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 91.7 m -135.43 122.22 21.05 Favored 'General case' 0 C--O 1.253 1.257 0 O-C-N 120.217 -1.552 . . . . 21.02 110.573 -177.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 3.8 m -130.27 136.03 48.73 Favored 'General case' 0 C--O 1.241 0.658 0 O-C-N 124.005 0.815 . . . . 18.33 111.582 179.613 -87.286 -164.809 -88.511 102.33 2.008 102.805 -123.257 -62.165 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 92.2 m -133.77 127.6 33.09 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-O 114.023 -2.894 . . . . 21.5 110.297 171.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 51.28 39.3 23.62 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 126.645 2.466 . . . . 30.44 110.116 -179.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.5 m -126.08 171.13 11.08 Favored 'General case' 0 C--O 1.243 0.741 0 C-N-CA 119.271 -0.972 . . . . 19.59 111.927 -172.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 63.2 p -118.25 154.42 32.28 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 122.749 1.262 . . . . 17.59 112.507 -176.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 53.37 48.76 21.22 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 125.126 2.393 . . . . 20.36 112.344 170.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 71.9 m -86.84 70.58 10.35 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 113.394 -1.73 . . . . 17.15 113.791 -178.739 -62.165 -123.257 -88.511 102.805 2.008 102.33 -164.809 -87.286 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -54.41 -32.73 57.9 Favored 'General case' 0 C--O 1.249 1.059 0 N-CA-C 115.885 1.809 . . . . 21.52 115.885 -171.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -111.43 7.05 20.68 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 116.263 -1.827 . . . . 20.64 113.528 -176.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.69 119.39 20.43 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 121.668 2.031 . . . . 26.06 114.063 -170.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 65.9 p -82.59 -19.43 38.45 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 126.884 2.615 . . . . 28.12 111.833 173.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -111.47 109.31 19.2 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 105.73 -1.952 . . . . 25.64 105.73 170.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 12.6 t -131.58 106.64 8.32 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 115.914 -1.993 . . . . 33.38 109.411 -172.811 169.053 120.937 86.634 100.756 2.032 102.748 165.061 -60.195 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 59.1 m -118.33 118.27 31.35 Favored 'General case' 0 C--O 1.245 0.854 0 O-C-N 127.123 2.765 . . . . 23.11 110.752 179.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 62.2 t30 50.44 46.79 24.91 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 125.729 1.893 . . . . 37.15 108.427 176.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.5 m -130.82 149.12 52.61 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 125.424 1.49 . . . . 28.0 110.567 -179.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 92.4 p -94.33 157.97 15.79 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 126.03 1.732 . . . . 21.89 111.317 -178.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.39 9.64 85.82 Favored Glycine 0 C--N 1.345 1.082 0 N-CA-C 116.421 1.328 . . . . 20.5 116.421 173.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 81.7 m -79.91 155.85 75.09 Favored Pre-proline 0 C--O 1.238 0.465 0 O-C-N 119.284 -2.303 . . . . 29.56 114.417 -176.149 -60.195 165.061 86.634 102.748 2.032 100.756 120.937 169.053 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo . . . . . 0 C--N 1.323 -0.801 0 O-C-N 124.919 2.01 . . . . 53.99 109.405 -178.182 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 C--O 1.241 0.646 0 N-CA-C 112.766 0.654 . . . . 97.52 112.766 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 84.1 m -123.85 -10.39 7.74 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 114.306 1.225 . . . . 18.16 114.306 -176.882 -67.477 -80.068 105.615 101.912 2.079 102.368 81.679 -168.205 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 60.1 p -136.02 122.16 20.29 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 116.068 -2.253 . . . . 29.53 107.937 -172.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 81.57 159.2 23.27 Favored Glycine 0 C--O 1.225 -0.458 0 C-N-CA 118.442 -1.837 . . . . 29.56 111.683 -176.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 95.39 175.77 37.35 Favored Glycine 0 C--N 1.339 0.74 0 C-N-CA 117.943 -2.075 . . . . 30.12 113.596 171.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.19 -39.28 14.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 111.225 -2.487 . . . . 33.91 110.089 -173.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -132.75 113.39 12.9 Favored 'General case' 0 N--CA 1.463 0.203 0 O-C-N 125.747 1.904 . . . . 45.5 114.054 -171.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 91.2 m -119.87 35.76 4.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 113.598 -1.637 . . . . 21.31 109.047 -179.761 -68.352 93.105 100.948 103.936 2.022 101.202 161.714 -168.181 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 52.8 m -52.94 -33.34 50.44 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 117.062 -1.855 . . . . 26.39 113.028 175.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 78.7 p -69.4 -14.14 62.74 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.636 1.835 . . . . 23.97 112.804 -179.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 19.3 t -74.69 115.31 14.11 Favored 'General case' 0 C--O 1.246 0.887 0 N-CA-C 115.156 1.539 . . . . 17.1 115.156 -178.218 -168.205 81.679 105.615 102.368 2.079 101.912 -80.068 -67.477 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 41.5 p -107.94 8.21 28.36 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 121.007 -1.058 . . . . 19.2 113.834 175.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.21 -122.38 4.42 Favored Glycine 0 N--CA 1.441 -0.999 0 N-CA-C 109.464 -1.454 . . . . 15.68 109.464 172.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -108.85 131.21 55.22 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 124.412 0.713 . . . . 14.82 110.673 -175.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 m -90.6 143.92 26.27 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-O 116.339 -1.791 . . . . 17.4 111.769 171.168 -92.721 -165.642 -92.764 98.672 2.045 103.072 -109.425 -65.249 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 87.4 m -135.11 119.83 18.3 Favored 'General case' 0 C--N 1.322 -0.599 1 O-C-N 129.768 4.418 . . . . 16.85 108.309 169.908 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.45 43.12 99.74 Favored Glycine 0 N--CA 1.467 0.711 0 CA-C-O 123.411 1.561 . . . . 16.67 115.171 175.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 19.2 t -126.06 146.44 49.91 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 120.466 -1.608 . . . . 18.54 111.298 -177.114 -168.181 161.714 100.948 101.202 2.022 103.936 93.105 -68.352 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.53 -7.74 88.26 Favored Glycine 0 N--CA 1.44 -1.04 0 O-C-N 126.561 2.413 . . . . 16.34 117.44 -171.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -163.77 101.87 0.9 Allowed 'General case' 0 C--N 1.333 -0.121 0 O-C-N 119.269 -2.312 . . . . 19.96 108.849 -177.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 96.4 m -125.76 57.85 20.24 Favored Pre-proline 0 N--CA 1.44 -0.942 0 C-N-CA 125.03 1.332 . . . . 16.21 113.843 -172.41 -65.249 -109.425 -92.764 103.072 2.045 98.672 -165.642 -92.721 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -71.21 -13.97 31.29 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 CA-C-O 116.84 -1.4 . . . . 18.79 115.423 -175.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -112.3 1.64 16.19 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 114.436 1.273 . . . . 17.98 114.436 177.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.02 142.24 52.78 Favored 'General case' 0 C--N 1.318 -0.789 0 O-C-N 121.433 -0.792 . . . . 14.91 112.001 -178.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 35.5 m -92.16 -14.89 8.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 123.112 0.565 . . . . 24.38 112.108 176.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 91.0 m -140.36 140.76 35.63 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 107.414 -1.328 . . . . 13.11 107.414 174.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' CYS . . . . . . . . . . . . . 22.9 m -131.07 139.26 49.87 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 125.305 1.628 . . . . 13.66 113.088 173.734 -79.754 -168.944 -95.128 100.47 2.051 101.808 -115.345 -64.645 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 97.0 m -127.47 124.72 39.05 Favored 'General case' 0 C--N 1.316 -0.849 1 O-C-N 129.424 4.202 . . . . 15.95 107.852 168.202 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 50.03 45.56 25.25 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 118.373 0.533 . . . . 22.73 112.33 177.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 71.0 m -132.45 165.03 25.24 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 124.63 1.206 . . . . 13.41 111.727 -176.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -110.44 154.63 23.34 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 118.624 -1.231 . . . . 25.95 113.033 -177.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' HIS . . . . . . . . . . . . . 28.9 m170 62.49 44.26 7.22 Favored 'General case' 0 C--O 1.238 0.489 0 O-C-N 126.752 2.533 . . . . 24.42 111.624 169.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' CYS . . . . . . . . . . . . . 87.7 m -90.14 57.72 3.86 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 113.975 -1.466 . . . . 13.67 112.698 -174.919 -64.645 -115.345 -95.128 101.808 2.051 100.47 -168.944 -79.754 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 21.7 m -70.94 -13.03 16.72 Favored 'Isoleucine or valine' 0 C--O 1.242 0.677 0 CA-C-O 117.488 -1.244 . . . . 20.59 113.765 -171.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -105.0 -7.83 18.96 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 120.027 1.285 . . . . 32.54 112.136 177.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.03 139.77 58.78 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 123.057 1.408 . . . . 15.68 111.325 -172.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -82.32 -29.72 30.91 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 114.803 -1.09 . . . . 24.74 113.678 171.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 52.9 m -133.54 131.72 40.08 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.445 -0.798 . . . . 17.2 109.633 179.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 19.1 m -127.16 137.68 53.0 Favored 'General case' 0 C--O 1.211 -0.953 0 O-C-N 124.308 1.005 . . . . 13.07 111.212 176.865 -80.91 -164.363 -91.749 98.365 2.047 102.879 -113.622 -66.25 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 93.0 m -128.26 129.23 46.06 Favored 'General case' 0 C--N 1.312 -1.039 0 O-C-N 125.976 2.048 . . . . 13.62 108.014 166.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 61.07 26.07 65.24 Favored Glycine 0 C--N 1.345 1.054 0 C-N-CA 118.589 -1.767 . . . . 12.3 115.364 175.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 74.5 m -128.35 167.07 17.49 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 121.325 -1.103 . . . . 15.16 112.919 -167.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 63.5 p -114.74 159.9 20.01 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 124.778 1.299 . . . . 15.62 113.258 -175.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 61.65 38.16 15.48 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 112.67 -2.059 . . . . 21.55 111.68 174.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 94.0 m -85.23 56.66 4.05 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 122.71 1.243 . . . . 13.83 111.246 -174.112 -66.25 -113.622 -91.749 102.879 2.047 98.365 -164.363 -80.91 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -68.17 -20.37 64.87 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 113.664 -1.607 . . . . 17.44 115.078 -166.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 67.6 p -121.73 12.53 10.64 Favored 'General case' 0 C--O 1.245 0.829 0 C-N-CA 118.419 -1.313 . . . . 17.53 110.898 -179.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.33 143.96 53.63 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-O 123.107 1.432 . . . . 14.43 111.645 179.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.9 -22.31 33.96 Favored 'General case' 0 C--N 1.361 1.072 0 C-N-CA 118.75 -1.18 . . . . 57.93 113.813 169.954 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 86.7 m -137.61 126.34 23.85 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-O 117.303 -1.332 . . . . 16.8 110.228 -176.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 60.7 m -127.91 139.57 52.52 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 127.437 2.961 . . . . 13.92 113.045 175.287 -73.96 -173.903 -95.065 102.569 2.038 104.111 -121.153 -64.116 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 87.1 m -131.4 120.22 22.75 Favored 'General case' 0 C--O 1.214 -0.81 0 O-C-N 125.836 1.96 . . . . 19.2 106.565 173.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 60.3 t30 47.89 48.51 17.76 Favored 'General case' 0 N--CA 1.457 -0.117 0 O-C-N 124.311 1.007 . . . . 20.27 112.812 -179.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 73.0 m -130.41 170.61 13.96 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 112.638 -2.074 . . . . 13.97 110.641 -177.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -113.1 142.76 45.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 125.61 1.819 . . . . 18.43 114.573 -173.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 62.38 53.95 2.65 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 114.585 -1.189 . . . . 16.71 113.4 170.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 81.6 m -93.34 63.68 3.6 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 126.465 2.353 . . . . 14.03 111.463 -176.697 -64.116 -121.153 -95.065 104.111 2.038 102.569 -173.903 -73.96 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -65.03 -19.35 65.95 Favored 'General case' 0 C--O 1.247 0.963 0 N-CA-C 114.629 1.344 . . . . 14.52 114.629 -167.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -119.72 2.29 11.11 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.656 0.613 . . . . 31.68 112.656 -176.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.48 142.27 56.66 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-O 126.192 2.901 . . . . 17.06 112.329 -176.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -83.24 -22.78 33.0 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 119.561 -1.962 . . . . 33.01 113.938 168.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 64.6 m -136.28 127.68 28.46 Favored 'General case' 0 C--O 1.21 -0.975 0 CA-C-N 114.858 -1.065 . . . . 21.21 111.058 -176.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' CYS . . . . . . . . . . . . . 8.0 m -136.73 139.47 41.91 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 113.638 -1.619 . . . . 15.58 112.375 179.177 -84.386 -161.418 -85.752 101.209 2.051 102.271 -120.546 -66.3 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 40.5 m -130.95 128.2 39.98 Favored 'General case' 0 C--N 1.314 -0.963 0 O-C-N 124.906 1.379 . . . . 17.34 108.28 171.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 54.06 31.31 13.47 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 115.106 1.521 . . . . 20.89 115.106 176.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 67.7 m -122.25 167.84 12.74 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 122.873 0.469 . . . . 15.26 111.44 -171.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 60.8 p -113.24 147.15 38.1 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 117.156 -1.818 . . . . 16.14 113.596 -175.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 62.72 43.27 7.42 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 125.955 2.034 . . . . 18.44 111.403 168.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' CYS . . . . . . . . . . . . . 93.6 m -86.13 67.64 10.03 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 127.197 2.811 . . . . 14.77 109.47 -179.109 -66.3 -120.546 -85.752 102.271 2.051 101.209 -161.418 -84.386 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -68.67 -17.0 64.01 Favored 'General case' 0 C--O 1.251 1.149 0 N-CA-C 116.153 1.909 . . . . 17.82 116.153 -164.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -126.03 16.15 7.91 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 116.883 -1.927 . . . . 30.42 112.523 171.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.37 126.52 29.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 120.472 1.487 . . . . 24.8 113.192 -175.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 7.6 p -90.58 -25.06 20.38 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 123.467 0.707 . . . . 35.01 110.233 179.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.38 112.38 25.4 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 107.183 -1.414 . . . . 19.31 107.183 168.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 40.1 t -136.78 108.21 6.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.11 0.881 . . . . 23.17 110.438 -168.498 175.497 120.341 81.238 104.456 2.029 99.923 167.82 -64.288 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 77.5 m -122.07 120.12 33.38 Favored 'General case' 0 N--CA 1.444 -0.763 0 O-C-N 120.82 -1.175 . . . . 25.61 109.3 -179.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 46.96 46.82 15.85 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 125.381 1.676 . . . . 22.48 112.4 179.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 67.0 m -128.34 154.19 46.23 Favored 'General case' 0 C--O 1.247 0.928 0 N-CA-C 108.203 -1.036 . . . . 17.8 108.203 -177.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 93.9 p -94.2 158.59 15.52 Favored 'General case' 0 C--O 1.249 1.044 0 O-C-N 125.24 1.588 . . . . 15.64 113.455 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 71.68 13.26 74.76 Favored Glycine 0 C--O 1.243 0.713 0 N-CA-C 115.806 1.083 . . . . 14.42 115.806 173.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' CYS . . . . . . . . . . . . . 83.4 m -74.44 147.65 85.17 Favored Pre-proline 0 CA--C 1.52 -0.196 0 C-N-CA 117.864 -1.534 . . . . 19.79 113.884 -175.994 -64.288 167.82 81.238 99.923 2.029 104.456 120.341 175.497 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 CA--C 1.508 -0.782 0 CA-C-O 123.769 1.487 . . . . 25.69 113.936 176.963 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 . . . . . 0 N--CA 1.468 0.454 0 CA-C-O 118.65 -0.69 . . . . 42.69 110.678 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.7 m -124.74 -0.8 7.98 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 125.47 1.731 . . . . 18.82 113.72 -163.907 -73.037 -74.51 106.485 103.858 2.018 102.987 81.418 -175.965 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.5 m -137.96 121.01 16.69 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.634 1.834 . . . . 20.47 113.181 -168.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 78.01 167.74 30.9 Favored Glycine 0 C--N 1.344 1.009 0 CA-C-O 122.547 1.082 . . . . 16.2 111.896 173.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.41 179.41 49.46 Favored Glycine 0 N--CA 1.476 1.315 0 O-C-N 119.329 -2.277 . . . . 17.12 113.482 173.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.42 -27.61 20.29 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 119.184 -2.362 . . . . 20.72 114.18 -176.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -136.54 130.59 32.66 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 116.725 -1.99 . . . . 31.9 110.854 -176.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.7 m -131.6 43.48 3.05 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 124.448 1.099 . . . . 17.35 110.773 173.358 -62.203 83.032 110.006 104.619 2.043 101.902 165.349 -175.814 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.8 m -53.47 -38.99 64.14 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 113.307 0.854 . . . . 22.05 113.307 -175.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.0 p -82.75 -2.47 54.42 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 115.787 1.773 . . . . 26.41 115.787 -177.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -68.12 121.15 15.55 Favored 'General case' 0 C--O 1.246 0.885 0 O-C-N 120.935 -1.103 . . . . 17.66 111.946 179.57 -175.965 81.418 106.485 102.987 2.018 103.858 -74.51 -73.037 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.4 p -110.88 7.71 21.92 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 119.894 -0.722 . . . . 20.67 112.848 172.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.53 -133.1 7.81 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-O 124.188 1.993 . . . . 16.42 110.929 -178.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.76 117.19 30.5 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 120.731 -1.452 . . . . 19.62 108.232 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.63 132.44 36.88 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.356 1.66 . . . . 21.61 109.832 177.907 -129.556 -142.065 -79.899 101.543 2.055 103.493 -101.909 -64.743 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.7 m -134.04 119.85 19.48 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 114.496 -2.669 . . . . 18.68 110.426 -175.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.74 33.38 87.09 Favored Glycine 0 N--CA 1.464 0.53 0 O-C-N 126.524 2.39 . . . . 15.6 113.385 176.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t -121.34 146.09 47.21 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 118.878 -1.129 . . . . 15.84 111.759 -174.8 -175.814 165.349 110.006 101.902 2.043 104.619 83.032 -62.203 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.1 -2.22 89.45 Favored Glycine 0 N--CA 1.431 -1.672 0 N-CA-C 116.39 1.316 . . . . 14.73 116.39 -168.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -159.85 103.71 1.52 Allowed 'General case' 0 C--O 1.235 0.34 0 C-N-CA 119.209 -0.996 . . . . 16.83 109.548 175.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.1 m -124.72 58.14 16.94 Favored Pre-proline 0 CA--C 1.508 -0.67 0 O-C-N 125.156 1.535 . . . . 15.79 114.228 -176.663 -64.743 -101.909 -79.899 103.493 2.055 101.543 -142.065 -129.556 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -72.21 -9.2 24.07 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 121.984 1.789 . . . . 17.32 116.051 -172.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -116.66 -0.83 12.27 Favored 'General case' 0 CA--C 1.518 -0.254 0 O-C-N 124.764 1.29 . . . . 21.05 113.509 177.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.46 150.02 46.63 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 122.003 0.906 . . . . 17.21 110.638 -175.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.1 m -89.21 -24.58 5.92 Favored 'Isoleucine or valine' 0 C--N 1.342 0.26 0 O-C-N 120.906 -1.121 . . . . 21.41 111.512 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.2 m -130.89 142.27 50.36 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 118.927 -0.559 . . . . 17.93 110.52 174.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.1 m -128.99 138.15 51.78 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 123.524 0.515 . . . . 12.99 111.609 174.198 -81.493 -168.21 -95.972 100.446 2.059 102.065 -115.813 -65.256 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 86.6 m -129.23 120.5 25.86 Favored 'General case' 0 N--CA 1.443 -0.808 0 O-C-N 126.62 2.45 . . . . 12.52 109.172 168.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.0 m120 50.65 47.05 24.97 Favored 'General case' 0 C--O 1.236 0.395 0 O-C-N 125.366 1.666 . . . . 18.83 111.306 179.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.3 m -128.46 167.2 17.39 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 123.084 1.421 . . . . 12.65 110.487 -178.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -111.55 152.09 27.94 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 115.991 1.848 . . . . 49.62 115.991 -179.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 64.02 42.66 5.63 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 124.264 1.983 . . . . 17.6 112.839 170.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 96.5 m -87.7 58.83 5.1 Favored 'General case' 0 C--N 1.363 1.156 0 CA-C-N 113.52 -1.673 . . . . 13.55 113.649 -174.685 -65.256 -115.813 -95.972 102.065 2.059 100.446 -168.21 -81.493 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.6 m -70.32 -18.77 21.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-O 116.187 -1.863 . . . . 15.05 113.594 -165.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -107.97 -4.53 17.79 Favored 'General case' 0 C--O 1.245 0.863 0 O-C-N 124.915 1.385 . . . . 57.56 112.531 179.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.47 145.79 53.26 Favored 'General case' 0 C--O 1.201 -1.455 0 CA-C-O 123.672 1.701 . . . . 12.85 110.912 -173.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -92.05 -24.07 19.29 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 113.22 -1.809 . . . . 16.61 112.247 172.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.2 m -134.05 136.93 44.34 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 119.271 -2.143 . . . . 16.16 111.081 174.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.9 m -131.9 138.69 48.5 Favored 'General case' 0 C--N 1.323 -0.547 1 O-C-N 129.114 4.009 . . . . 13.48 112.484 178.533 -84.445 -162.85 -88.367 101.604 2.039 103.953 -112.436 -69.433 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.0 m -128.74 125.61 38.26 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 115.569 -2.158 . . . . 15.58 108.873 170.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 56.52 34.28 63.68 Favored Glycine 0 C--O 1.263 1.959 0 CA-C-N 120.677 1.581 . . . . 12.97 114.013 177.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.5 m -127.56 167.62 16.09 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 120.023 1.911 . . . . 12.46 113.142 -170.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.8 p -116.97 162.81 17.18 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 118.162 -1.415 . . . . 13.92 112.703 -176.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 49.42 44.62 23.92 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 125.818 1.647 . . . . 16.63 113.361 -177.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 99.2 m -82.23 56.85 3.35 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 122.998 1.38 . . . . 14.56 110.269 -178.236 -69.433 -112.436 -88.367 103.953 2.039 101.604 -162.85 -84.445 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -66.6 -20.41 66.0 Favored 'General case' 0 C--O 1.245 0.828 0 CA-C-O 115.791 -2.052 . . . . 14.13 113.912 -165.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.0 p -125.14 14.01 8.38 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 126.643 2.464 . . . . 15.92 111.138 -178.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.27 141.63 57.96 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 124.334 2.016 . . . . 14.3 109.852 178.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -84.22 -23.16 30.61 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 118.881 -2.387 . . . . 17.38 114.388 168.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.7 m -132.13 129.11 39.45 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 117.649 -1.167 . . . . 17.01 111.238 176.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 20.9 m -129.19 136.83 50.66 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 127.082 2.739 . . . . 13.71 109.88 177.046 -80.386 -172.492 -95.581 101.324 2.045 102.922 -122.184 -64.374 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.6 m -127.15 125.83 41.84 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 113.672 -3.061 . . . . 16.62 109.034 168.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASN . . . . . 0.434 ' HA ' ' O ' ' A' ' 66' ' ' ASP . 63.8 t30 45.77 48.95 11.68 Favored 'General case' 0 C--N 1.312 -1.044 0 O-C-N 128.284 3.49 . . . . 22.38 109.21 -178.666 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.4 m -130.85 167.15 19.41 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 122.298 1.047 . . . . 13.51 111.257 -178.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -115.25 144.71 43.32 Favored 'General case' 0 C--O 1.243 0.733 0 N-CA-C 115.466 1.654 . . . . 41.18 115.466 -172.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 56.14 56.25 6.04 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 127.82 3.2 . . . . 21.66 113.904 177.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 84.3 m -92.53 65.01 4.34 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 114.214 -1.357 . . . . 13.78 109.141 -175.676 -64.374 -122.184 -95.581 102.922 2.045 101.324 -172.492 -80.386 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -64.23 -21.73 66.69 Favored 'General case' 0 N--CA 1.436 -1.137 0 N-CA-C 113.581 0.956 . . . . 16.71 113.581 -166.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -110.24 -11.52 14.55 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 117.836 -1.078 . . . . 34.38 111.592 -171.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.24 141.74 57.31 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 123.113 1.435 . . . . 14.91 113.12 -170.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -88.29 -15.46 35.71 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 116.636 -2.026 . . . . 38.27 113.052 170.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 91.7 m -135.43 122.22 21.05 Favored 'General case' 0 C--O 1.253 1.257 0 O-C-N 120.217 -1.552 . . . . 21.02 110.573 -177.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 3.8 m -130.27 136.03 48.73 Favored 'General case' 0 C--O 1.241 0.658 0 O-C-N 124.005 0.815 . . . . 18.33 111.582 179.613 -87.286 -164.809 -88.511 102.33 2.008 102.805 -123.257 -62.165 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 92.2 m -133.77 127.6 33.09 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-O 114.023 -2.894 . . . . 21.5 110.297 171.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . 0.434 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 41.3 m-20 51.28 39.3 23.62 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 126.645 2.466 . . . . 30.44 110.116 -179.117 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.5 m -126.08 171.13 11.08 Favored 'General case' 0 C--O 1.243 0.741 0 C-N-CA 119.271 -0.972 . . . . 19.59 111.927 -172.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 63.2 p -118.25 154.42 32.28 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 122.749 1.262 . . . . 17.59 112.507 -176.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 53.37 48.76 21.22 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 125.126 2.393 . . . . 20.36 112.344 170.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 71.9 m -86.84 70.58 10.35 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 113.394 -1.73 . . . . 17.15 113.791 -178.739 -62.165 -123.257 -88.511 102.805 2.008 102.33 -164.809 -87.286 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -54.41 -32.73 57.9 Favored 'General case' 0 C--O 1.249 1.059 0 N-CA-C 115.885 1.809 . . . . 21.52 115.885 -171.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -111.43 7.05 20.68 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 116.263 -1.827 . . . . 20.64 113.528 -176.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.69 119.39 20.43 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 121.668 2.031 . . . . 26.06 114.063 -170.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 65.9 p -82.59 -19.43 38.45 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 126.884 2.615 . . . . 28.12 111.833 173.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -111.47 109.31 19.2 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 105.73 -1.952 . . . . 25.64 105.73 170.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 12.6 t -131.58 106.64 8.32 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 115.914 -1.993 . . . . 33.38 109.411 -172.811 169.053 120.937 86.634 100.756 2.032 102.748 165.061 -60.195 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 59.1 m -118.33 118.27 31.35 Favored 'General case' 0 C--O 1.245 0.854 0 O-C-N 127.123 2.765 . . . . 23.11 110.752 179.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 62.2 t30 50.44 46.79 24.91 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 125.729 1.893 . . . . 37.15 108.427 176.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.5 m -130.82 149.12 52.61 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 125.424 1.49 . . . . 28.0 110.567 -179.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 92.4 p -94.33 157.97 15.79 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 126.03 1.732 . . . . 21.89 111.317 -178.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.39 9.64 85.82 Favored Glycine 0 C--N 1.345 1.082 0 N-CA-C 116.421 1.328 . . . . 20.5 116.421 173.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 81.7 m -79.91 155.85 75.09 Favored Pre-proline 0 C--O 1.238 0.465 0 O-C-N 119.284 -2.303 . . . . 29.56 114.417 -176.149 -60.195 165.061 86.634 102.748 2.032 100.756 120.937 169.053 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo . . . . . 0 C--N 1.323 -0.801 0 O-C-N 124.919 2.01 . . . . 53.99 109.405 -178.182 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' GLN . . . . . 0.432 ' HB3' ' H ' ' B' ' 3' ' ' CYS . 4.1 mm-40 . . . . . 0 C--O 1.241 0.646 0 N-CA-C 112.766 0.654 . . . . 97.52 112.766 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' CYS . . . . . 0.432 ' H ' ' HB3' ' B' ' 2' ' ' GLN . 84.1 m -123.85 -10.39 7.74 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 114.306 1.225 . . . . 18.16 114.306 -176.882 -67.477 -80.068 105.615 101.912 2.079 102.368 81.679 -168.205 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 60.1 p -136.02 122.16 20.29 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 116.068 -2.253 . . . . 29.53 107.937 -172.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 81.57 159.2 23.27 Favored Glycine 0 C--O 1.225 -0.458 0 C-N-CA 118.442 -1.837 . . . . 29.56 111.683 -176.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 95.39 175.77 37.35 Favored Glycine 0 C--N 1.339 0.74 0 C-N-CA 117.943 -2.075 . . . . 30.12 113.596 171.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.19 -39.28 14.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 111.225 -2.487 . . . . 33.91 110.089 -173.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -132.75 113.39 12.9 Favored 'General case' 0 N--CA 1.463 0.203 0 O-C-N 125.747 1.904 . . . . 45.5 114.054 -171.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 91.2 m -119.87 35.76 4.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 113.598 -1.637 . . . . 21.31 109.047 -179.761 -68.352 93.105 100.948 103.936 2.022 101.202 161.714 -168.181 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 52.8 m -52.94 -33.34 50.44 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 117.062 -1.855 . . . . 26.39 113.028 175.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 78.7 p -69.4 -14.14 62.74 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.636 1.835 . . . . 23.97 112.804 -179.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 19.3 t -74.69 115.31 14.11 Favored 'General case' 0 C--O 1.246 0.887 0 N-CA-C 115.156 1.539 . . . . 17.1 115.156 -178.218 -168.205 81.679 105.615 102.368 2.079 101.912 -80.068 -67.477 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 41.5 p -107.94 8.21 28.36 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 121.007 -1.058 . . . . 19.2 113.834 175.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.21 -122.38 4.42 Favored Glycine 0 N--CA 1.441 -0.999 0 N-CA-C 109.464 -1.454 . . . . 15.68 109.464 172.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -108.85 131.21 55.22 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 124.412 0.713 . . . . 14.82 110.673 -175.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 m -90.6 143.92 26.27 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-O 116.339 -1.791 . . . . 17.4 111.769 171.168 -92.721 -165.642 -92.764 98.672 2.045 103.072 -109.425 -65.249 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 87.4 m -135.11 119.83 18.3 Favored 'General case' 0 C--N 1.322 -0.599 1 O-C-N 129.768 4.418 . . . . 16.85 108.309 169.908 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.45 43.12 99.74 Favored Glycine 0 N--CA 1.467 0.711 0 CA-C-O 123.411 1.561 . . . . 16.67 115.171 175.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 19.2 t -126.06 146.44 49.91 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 120.466 -1.608 . . . . 18.54 111.298 -177.114 -168.181 161.714 100.948 101.202 2.022 103.936 93.105 -68.352 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.53 -7.74 88.26 Favored Glycine 0 N--CA 1.44 -1.04 0 O-C-N 126.561 2.413 . . . . 16.34 117.44 -171.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -163.77 101.87 0.9 Allowed 'General case' 0 C--N 1.333 -0.121 0 O-C-N 119.269 -2.312 . . . . 19.96 108.849 -177.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 96.4 m -125.76 57.85 20.24 Favored Pre-proline 0 N--CA 1.44 -0.942 0 C-N-CA 125.03 1.332 . . . . 16.21 113.843 -172.41 -65.249 -109.425 -92.764 103.072 2.045 98.672 -165.642 -92.721 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -71.21 -13.97 31.29 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 CA-C-O 116.84 -1.4 . . . . 18.79 115.423 -175.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ASN . . . . . 0.413 ' HA ' ' HD3' ' B' ' 36' ' ' LYS . 74.3 m-80 -112.3 1.64 16.19 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 114.436 1.273 . . . . 17.98 114.436 177.341 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.02 142.24 52.78 Favored 'General case' 0 C--N 1.318 -0.789 0 O-C-N 121.433 -0.792 . . . . 14.91 112.001 -178.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 35.5 m -92.16 -14.89 8.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 123.112 0.565 . . . . 24.38 112.108 176.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 91.0 m -140.36 140.76 35.63 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 107.414 -1.328 . . . . 13.11 107.414 174.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' CYS . . . . . . . . . . . . . 22.9 m -131.07 139.26 49.87 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 125.305 1.628 . . . . 13.66 113.088 173.734 -79.754 -168.944 -95.128 100.47 2.051 101.808 -115.345 -64.645 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 97.0 m -127.47 124.72 39.05 Favored 'General case' 0 C--N 1.316 -0.849 1 O-C-N 129.424 4.202 . . . . 15.95 107.852 168.202 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 50.03 45.56 25.25 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 118.373 0.533 . . . . 22.73 112.33 177.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 71.0 m -132.45 165.03 25.24 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 124.63 1.206 . . . . 13.41 111.727 -176.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -110.44 154.63 23.34 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 118.624 -1.231 . . . . 25.95 113.033 -177.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 62.49 44.26 7.22 Favored 'General case' 0 C--O 1.238 0.489 0 O-C-N 126.752 2.533 . . . . 24.42 111.624 169.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' CYS . . . . . . . . . . . . . 87.7 m -90.14 57.72 3.86 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 113.975 -1.466 . . . . 13.67 112.698 -174.919 -64.645 -115.345 -95.128 101.808 2.051 100.47 -168.944 -79.754 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 21.7 m -70.94 -13.03 16.72 Favored 'Isoleucine or valine' 0 C--O 1.242 0.677 0 CA-C-O 117.488 -1.244 . . . . 20.59 113.765 -171.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' B' ' 24' ' ' ASN . 38.8 mtpt -105.0 -7.83 18.96 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 120.027 1.285 . . . . 32.54 112.136 177.037 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.03 139.77 58.78 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 123.057 1.408 . . . . 15.68 111.325 -172.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -82.32 -29.72 30.91 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 114.803 -1.09 . . . . 24.74 113.678 171.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 52.9 m -133.54 131.72 40.08 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.445 -0.798 . . . . 17.2 109.633 179.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 19.1 m -127.16 137.68 53.0 Favored 'General case' 0 C--O 1.211 -0.953 0 O-C-N 124.308 1.005 . . . . 13.07 111.212 176.865 -80.91 -164.363 -91.749 98.365 2.047 102.879 -113.622 -66.25 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 93.0 m -128.26 129.23 46.06 Favored 'General case' 0 C--N 1.312 -1.039 0 O-C-N 125.976 2.048 . . . . 13.62 108.014 166.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 61.07 26.07 65.24 Favored Glycine 0 C--N 1.345 1.054 0 C-N-CA 118.589 -1.767 . . . . 12.3 115.364 175.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 74.5 m -128.35 167.07 17.49 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 121.325 -1.103 . . . . 15.16 112.919 -167.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 63.5 p -114.74 159.9 20.01 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 124.778 1.299 . . . . 15.62 113.258 -175.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 61.65 38.16 15.48 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 112.67 -2.059 . . . . 21.55 111.68 174.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 94.0 m -85.23 56.66 4.05 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 122.71 1.243 . . . . 13.83 111.246 -174.112 -66.25 -113.622 -91.749 102.879 2.047 98.365 -164.363 -80.91 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -68.17 -20.37 64.87 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 113.664 -1.607 . . . . 17.44 115.078 -166.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 67.6 p -121.73 12.53 10.64 Favored 'General case' 0 C--O 1.245 0.829 0 C-N-CA 118.419 -1.313 . . . . 17.53 110.898 -179.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.33 143.96 53.63 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-O 123.107 1.432 . . . . 14.43 111.645 179.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.9 -22.31 33.96 Favored 'General case' 0 C--N 1.361 1.072 0 C-N-CA 118.75 -1.18 . . . . 57.93 113.813 169.954 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 86.7 m -137.61 126.34 23.85 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-O 117.303 -1.332 . . . . 16.8 110.228 -176.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 60.7 m -127.91 139.57 52.52 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 127.437 2.961 . . . . 13.92 113.045 175.287 -73.96 -173.903 -95.065 102.569 2.038 104.111 -121.153 -64.116 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 87.1 m -131.4 120.22 22.75 Favored 'General case' 0 C--O 1.214 -0.81 0 O-C-N 125.836 1.96 . . . . 19.2 106.565 173.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 60.3 t30 47.89 48.51 17.76 Favored 'General case' 0 N--CA 1.457 -0.117 0 O-C-N 124.311 1.007 . . . . 20.27 112.812 -179.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 73.0 m -130.41 170.61 13.96 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 112.638 -2.074 . . . . 13.97 110.641 -177.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -113.1 142.76 45.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 125.61 1.819 . . . . 18.43 114.573 -173.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 62.38 53.95 2.65 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 114.585 -1.189 . . . . 16.71 113.4 170.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 81.6 m -93.34 63.68 3.6 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 126.465 2.353 . . . . 14.03 111.463 -176.697 -64.116 -121.153 -95.065 104.111 2.038 102.569 -173.903 -73.96 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -65.03 -19.35 65.95 Favored 'General case' 0 C--O 1.247 0.963 0 N-CA-C 114.629 1.344 . . . . 14.52 114.629 -167.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -119.72 2.29 11.11 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.656 0.613 . . . . 31.68 112.656 -176.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.48 142.27 56.66 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-O 126.192 2.901 . . . . 17.06 112.329 -176.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -83.24 -22.78 33.0 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 119.561 -1.962 . . . . 33.01 113.938 168.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 64.6 m -136.28 127.68 28.46 Favored 'General case' 0 C--O 1.21 -0.975 0 CA-C-N 114.858 -1.065 . . . . 21.21 111.058 -176.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' CYS . . . . . . . . . . . . . 8.0 m -136.73 139.47 41.91 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 113.638 -1.619 . . . . 15.58 112.375 179.177 -84.386 -161.418 -85.752 101.209 2.051 102.271 -120.546 -66.3 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 40.5 m -130.95 128.2 39.98 Favored 'General case' 0 C--N 1.314 -0.963 0 O-C-N 124.906 1.379 . . . . 17.34 108.28 171.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 54.06 31.31 13.47 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 115.106 1.521 . . . . 20.89 115.106 176.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 67.7 m -122.25 167.84 12.74 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 122.873 0.469 . . . . 15.26 111.44 -171.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 60.8 p -113.24 147.15 38.1 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 117.156 -1.818 . . . . 16.14 113.596 -175.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 62.72 43.27 7.42 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 125.955 2.034 . . . . 18.44 111.403 168.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' CYS . . . . . . . . . . . . . 93.6 m -86.13 67.64 10.03 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 127.197 2.811 . . . . 14.77 109.47 -179.109 -66.3 -120.546 -85.752 102.271 2.051 101.209 -161.418 -84.386 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -68.67 -17.0 64.01 Favored 'General case' 0 C--O 1.251 1.149 0 N-CA-C 116.153 1.909 . . . . 17.82 116.153 -164.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -126.03 16.15 7.91 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 116.883 -1.927 . . . . 30.42 112.523 171.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.37 126.52 29.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 120.472 1.487 . . . . 24.8 113.192 -175.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 7.6 p -90.58 -25.06 20.38 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 123.467 0.707 . . . . 35.01 110.233 179.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.38 112.38 25.4 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 107.183 -1.414 . . . . 19.31 107.183 168.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 40.1 t -136.78 108.21 6.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.11 0.881 . . . . 23.17 110.438 -168.498 175.497 120.341 81.238 104.456 2.029 99.923 167.82 -64.288 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 77.5 m -122.07 120.12 33.38 Favored 'General case' 0 N--CA 1.444 -0.763 0 O-C-N 120.82 -1.175 . . . . 25.61 109.3 -179.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 61.9 t30 46.96 46.82 15.85 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 125.381 1.676 . . . . 22.48 112.4 179.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 67.0 m -128.34 154.19 46.23 Favored 'General case' 0 C--O 1.247 0.928 0 N-CA-C 108.203 -1.036 . . . . 17.8 108.203 -177.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 93.9 p -94.2 158.59 15.52 Favored 'General case' 0 C--O 1.249 1.044 0 O-C-N 125.24 1.588 . . . . 15.64 113.455 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 71.68 13.26 74.76 Favored Glycine 0 C--O 1.243 0.713 0 N-CA-C 115.806 1.083 . . . . 14.42 115.806 173.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' CYS . . . . . . . . . . . . . 83.4 m -74.44 147.65 85.17 Favored Pre-proline 0 CA--C 1.52 -0.196 0 C-N-CA 117.864 -1.534 . . . . 19.79 113.884 -175.994 -64.288 167.82 81.238 99.923 2.029 104.456 120.341 175.497 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 CA--C 1.508 -0.782 0 CA-C-O 123.769 1.487 . . . . 25.69 113.936 176.963 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 . . . . . 0 N--CA 1.468 0.454 0 CA-C-O 118.65 -0.69 . . . . 42.69 110.678 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.7 m -124.74 -0.8 7.98 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 125.47 1.731 . . . . 18.82 113.72 -163.907 -73.037 -74.51 106.485 103.858 2.018 102.987 81.418 -175.965 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.5 m -137.96 121.01 16.69 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.634 1.834 . . . . 20.47 113.181 -168.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 78.01 167.74 30.9 Favored Glycine 0 C--N 1.344 1.009 0 CA-C-O 122.547 1.082 . . . . 16.2 111.896 173.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.41 179.41 49.46 Favored Glycine 0 N--CA 1.476 1.315 0 O-C-N 119.329 -2.277 . . . . 17.12 113.482 173.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.42 -27.61 20.29 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 119.184 -2.362 . . . . 20.72 114.18 -176.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -136.54 130.59 32.66 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 116.725 -1.99 . . . . 31.9 110.854 -176.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.7 m -131.6 43.48 3.05 Favored 'General case' 0 N--CA 1.44 -0.936 0 C-N-CA 124.448 1.099 . . . . 17.35 110.773 173.358 -62.203 83.032 110.006 104.619 2.043 101.902 165.349 -175.814 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.8 m -53.47 -38.99 64.14 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 113.307 0.854 . . . . 22.05 113.307 -175.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.0 p -82.75 -2.47 54.42 Favored 'General case' 0 C--O 1.246 0.88 0 N-CA-C 115.787 1.773 . . . . 26.41 115.787 -177.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -68.12 121.15 15.55 Favored 'General case' 0 C--O 1.246 0.885 0 O-C-N 120.935 -1.103 . . . . 17.66 111.946 179.57 -175.965 81.418 106.485 102.987 2.018 103.858 -74.51 -73.037 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.4 p -110.88 7.71 21.92 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 119.894 -0.722 . . . . 20.67 112.848 172.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.53 -133.1 7.81 Favored Glycine 0 N--CA 1.444 -0.822 0 CA-C-O 124.188 1.993 . . . . 16.42 110.929 -178.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.76 117.19 30.5 Favored 'General case' 0 C--O 1.218 -0.59 0 O-C-N 120.731 -1.452 . . . . 19.62 108.232 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.63 132.44 36.88 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 125.356 1.66 . . . . 21.61 109.832 177.907 -129.556 -142.065 -79.899 101.543 2.055 103.493 -101.909 -64.743 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.7 m -134.04 119.85 19.48 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 114.496 -2.669 . . . . 18.68 110.426 -175.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.74 33.38 87.09 Favored Glycine 0 N--CA 1.464 0.53 0 O-C-N 126.524 2.39 . . . . 15.6 113.385 176.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.5 t -121.34 146.09 47.21 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 118.878 -1.129 . . . . 15.84 111.759 -174.8 -175.814 165.349 110.006 101.902 2.043 104.619 83.032 -62.203 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.1 -2.22 89.45 Favored Glycine 0 N--CA 1.431 -1.672 0 N-CA-C 116.39 1.316 . . . . 14.73 116.39 -168.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -159.85 103.71 1.52 Allowed 'General case' 0 C--O 1.235 0.34 0 C-N-CA 119.209 -0.996 . . . . 16.83 109.548 175.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.1 m -124.72 58.14 16.94 Favored Pre-proline 0 CA--C 1.508 -0.67 0 O-C-N 125.156 1.535 . . . . 15.79 114.228 -176.663 -64.743 -101.909 -79.899 103.493 2.055 101.543 -142.065 -129.556 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -72.21 -9.2 24.07 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 121.984 1.789 . . . . 17.32 116.051 -172.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -116.66 -0.83 12.27 Favored 'General case' 0 CA--C 1.518 -0.254 0 O-C-N 124.764 1.29 . . . . 21.05 113.509 177.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.46 150.02 46.63 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 122.003 0.906 . . . . 17.21 110.638 -175.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 30.1 m -89.21 -24.58 5.92 Favored 'Isoleucine or valine' 0 C--N 1.342 0.26 0 O-C-N 120.906 -1.121 . . . . 21.41 111.512 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 87.2 m -130.89 142.27 50.36 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 118.927 -0.559 . . . . 17.93 110.52 174.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.1 m -128.99 138.15 51.78 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 123.524 0.515 . . . . 12.99 111.609 174.198 -81.493 -168.21 -95.972 100.446 2.059 102.065 -115.813 -65.256 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 86.6 m -129.23 120.5 25.86 Favored 'General case' 0 N--CA 1.443 -0.808 0 O-C-N 126.62 2.45 . . . . 12.52 109.172 168.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.0 m120 50.65 47.05 24.97 Favored 'General case' 0 C--O 1.236 0.395 0 O-C-N 125.366 1.666 . . . . 18.83 111.306 179.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.3 m -128.46 167.2 17.39 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-O 123.084 1.421 . . . . 12.65 110.487 -178.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -111.55 152.09 27.94 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 115.991 1.848 . . . . 49.62 115.991 -179.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 64.02 42.66 5.63 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 124.264 1.983 . . . . 17.6 112.839 170.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 96.5 m -87.7 58.83 5.1 Favored 'General case' 0 C--N 1.363 1.156 0 CA-C-N 113.52 -1.673 . . . . 13.55 113.649 -174.685 -65.256 -115.813 -95.972 102.065 2.059 100.446 -168.21 -81.493 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.6 m -70.32 -18.77 21.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-O 116.187 -1.863 . . . . 15.05 113.594 -165.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -107.97 -4.53 17.79 Favored 'General case' 0 C--O 1.245 0.863 0 O-C-N 124.915 1.385 . . . . 57.56 112.531 179.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.47 145.79 53.26 Favored 'General case' 0 C--O 1.201 -1.455 0 CA-C-O 123.672 1.701 . . . . 12.85 110.912 -173.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -92.05 -24.07 19.29 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 113.22 -1.809 . . . . 16.61 112.247 172.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.2 m -134.05 136.93 44.34 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 119.271 -2.143 . . . . 16.16 111.081 174.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.9 m -131.9 138.69 48.5 Favored 'General case' 0 C--N 1.323 -0.547 1 O-C-N 129.114 4.009 . . . . 13.48 112.484 178.533 -84.445 -162.85 -88.367 101.604 2.039 103.953 -112.436 -69.433 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.0 m -128.74 125.61 38.26 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 115.569 -2.158 . . . . 15.58 108.873 170.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 56.52 34.28 63.68 Favored Glycine 0 C--O 1.263 1.959 0 CA-C-N 120.677 1.581 . . . . 12.97 114.013 177.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.5 m -127.56 167.62 16.09 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 120.023 1.911 . . . . 12.46 113.142 -170.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.8 p -116.97 162.81 17.18 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 118.162 -1.415 . . . . 13.92 112.703 -176.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 49.42 44.62 23.92 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 125.818 1.647 . . . . 16.63 113.361 -177.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 99.2 m -82.23 56.85 3.35 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 122.998 1.38 . . . . 14.56 110.269 -178.236 -69.433 -112.436 -88.367 103.953 2.039 101.604 -162.85 -84.445 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -66.6 -20.41 66.0 Favored 'General case' 0 C--O 1.245 0.828 0 CA-C-O 115.791 -2.052 . . . . 14.13 113.912 -165.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.0 p -125.14 14.01 8.38 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 126.643 2.464 . . . . 15.92 111.138 -178.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.27 141.63 57.96 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 124.334 2.016 . . . . 14.3 109.852 178.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -84.22 -23.16 30.61 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 118.881 -2.387 . . . . 17.38 114.388 168.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.7 m -132.13 129.11 39.45 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 117.649 -1.167 . . . . 17.01 111.238 176.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 20.9 m -129.19 136.83 50.66 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 127.082 2.739 . . . . 13.71 109.88 177.046 -80.386 -172.492 -95.581 101.324 2.045 102.922 -122.184 -64.374 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.6 m -127.15 125.83 41.84 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 113.672 -3.061 . . . . 16.62 109.034 168.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.434 ' HA ' ' O ' ' A' ' 66' ' ' ASP . 63.8 t30 45.77 48.95 11.68 Favored 'General case' 0 C--N 1.312 -1.044 0 O-C-N 128.284 3.49 . . . . 22.38 109.21 -178.666 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.4 m -130.85 167.15 19.41 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 122.298 1.047 . . . . 13.51 111.257 -178.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -115.25 144.71 43.32 Favored 'General case' 0 C--O 1.243 0.733 0 N-CA-C 115.466 1.654 . . . . 41.18 115.466 -172.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 56.14 56.25 6.04 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 127.82 3.2 . . . . 21.66 113.904 177.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 84.3 m -92.53 65.01 4.34 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 114.214 -1.357 . . . . 13.78 109.141 -175.676 -64.374 -122.184 -95.581 102.922 2.045 101.324 -172.492 -80.386 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -64.23 -21.73 66.69 Favored 'General case' 0 N--CA 1.436 -1.137 0 N-CA-C 113.581 0.956 . . . . 16.71 113.581 -166.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -110.24 -11.52 14.55 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 117.836 -1.078 . . . . 34.38 111.592 -171.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.24 141.74 57.31 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 123.113 1.435 . . . . 14.91 113.12 -170.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -88.29 -15.46 35.71 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 116.636 -2.026 . . . . 38.27 113.052 170.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 91.7 m -135.43 122.22 21.05 Favored 'General case' 0 C--O 1.253 1.257 0 O-C-N 120.217 -1.552 . . . . 21.02 110.573 -177.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 3.8 m -130.27 136.03 48.73 Favored 'General case' 0 C--O 1.241 0.658 0 O-C-N 124.005 0.815 . . . . 18.33 111.582 179.613 -87.286 -164.809 -88.511 102.33 2.008 102.805 -123.257 -62.165 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 92.2 m -133.77 127.6 33.09 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-O 114.023 -2.894 . . . . 21.5 110.297 171.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.434 ' O ' ' HA ' ' A' ' 54' ' ' ASN . 41.3 m-20 51.28 39.3 23.62 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 126.645 2.466 . . . . 30.44 110.116 -179.117 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.5 m -126.08 171.13 11.08 Favored 'General case' 0 C--O 1.243 0.741 0 C-N-CA 119.271 -0.972 . . . . 19.59 111.927 -172.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 63.2 p -118.25 154.42 32.28 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 122.749 1.262 . . . . 17.59 112.507 -176.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 53.37 48.76 21.22 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 125.126 2.393 . . . . 20.36 112.344 170.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 71.9 m -86.84 70.58 10.35 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 113.394 -1.73 . . . . 17.15 113.791 -178.739 -62.165 -123.257 -88.511 102.805 2.008 102.33 -164.809 -87.286 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 19.9 m-30 -54.41 -32.73 57.9 Favored 'General case' 0 C--O 1.249 1.059 0 N-CA-C 115.885 1.809 . . . . 21.52 115.885 -171.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -111.43 7.05 20.68 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 116.263 -1.827 . . . . 20.64 113.528 -176.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.69 119.39 20.43 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 121.668 2.031 . . . . 26.06 114.063 -170.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 65.9 p -82.59 -19.43 38.45 Favored 'General case' 0 N--CA 1.484 1.255 0 O-C-N 126.884 2.615 . . . . 28.12 111.833 173.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -111.47 109.31 19.2 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 105.73 -1.952 . . . . 25.64 105.73 170.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 12.6 t -131.58 106.64 8.32 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 115.914 -1.993 . . . . 33.38 109.411 -172.811 169.053 120.937 86.634 100.756 2.032 102.748 165.061 -60.195 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 59.1 m -118.33 118.27 31.35 Favored 'General case' 0 C--O 1.245 0.854 0 O-C-N 127.123 2.765 . . . . 23.11 110.752 179.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 62.2 t30 50.44 46.79 24.91 Favored 'General case' 0 C--N 1.315 -0.934 0 O-C-N 125.729 1.893 . . . . 37.15 108.427 176.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 66.5 m -130.82 149.12 52.61 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 125.424 1.49 . . . . 28.0 110.567 -179.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 92.4 p -94.33 157.97 15.79 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 126.03 1.732 . . . . 21.89 111.317 -178.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.39 9.64 85.82 Favored Glycine 0 C--N 1.345 1.082 0 N-CA-C 116.421 1.328 . . . . 20.5 116.421 173.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 81.7 m -79.91 155.85 75.09 Favored Pre-proline 0 C--O 1.238 0.465 0 O-C-N 119.284 -2.303 . . . . 29.56 114.417 -176.149 -60.195 165.061 86.634 102.748 2.032 100.756 120.937 169.053 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo . . . . . 0 C--N 1.323 -0.801 0 O-C-N 124.919 2.01 . . . . 53.99 109.405 -178.182 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.432 ' HB3' ' H ' ' B' ' 3' ' ' CYS . 4.1 mm-40 . . . . . 0 C--O 1.241 0.646 0 N-CA-C 112.766 0.654 . . . . 97.52 112.766 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' CYS . . . . . 0.432 ' H ' ' HB3' ' B' ' 2' ' ' GLN . 84.1 m -123.85 -10.39 7.74 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 114.306 1.225 . . . . 18.16 114.306 -176.882 -67.477 -80.068 105.615 101.912 2.079 102.368 81.679 -168.205 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 60.1 p -136.02 122.16 20.29 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 116.068 -2.253 . . . . 29.53 107.937 -172.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 81.57 159.2 23.27 Favored Glycine 0 C--O 1.225 -0.458 0 C-N-CA 118.442 -1.837 . . . . 29.56 111.683 -176.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 95.39 175.77 37.35 Favored Glycine 0 C--N 1.339 0.74 0 C-N-CA 117.943 -2.075 . . . . 30.12 113.596 171.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.19 -39.28 14.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 111.225 -2.487 . . . . 33.91 110.089 -173.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -132.75 113.39 12.9 Favored 'General case' 0 N--CA 1.463 0.203 0 O-C-N 125.747 1.904 . . . . 45.5 114.054 -171.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 91.2 m -119.87 35.76 4.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 113.598 -1.637 . . . . 21.31 109.047 -179.761 -68.352 93.105 100.948 103.936 2.022 101.202 161.714 -168.181 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 52.8 m -52.94 -33.34 50.44 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 117.062 -1.855 . . . . 26.39 113.028 175.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 78.7 p -69.4 -14.14 62.74 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 125.636 1.835 . . . . 23.97 112.804 -179.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 19.3 t -74.69 115.31 14.11 Favored 'General case' 0 C--O 1.246 0.887 0 N-CA-C 115.156 1.539 . . . . 17.1 115.156 -178.218 -168.205 81.679 105.615 102.368 2.079 101.912 -80.068 -67.477 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 41.5 p -107.94 8.21 28.36 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 121.007 -1.058 . . . . 19.2 113.834 175.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.21 -122.38 4.42 Favored Glycine 0 N--CA 1.441 -0.999 0 N-CA-C 109.464 -1.454 . . . . 15.68 109.464 172.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -108.85 131.21 55.22 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 124.412 0.713 . . . . 14.82 110.673 -175.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 m -90.6 143.92 26.27 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-O 116.339 -1.791 . . . . 17.4 111.769 171.168 -92.721 -165.642 -92.764 98.672 2.045 103.072 -109.425 -65.249 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 87.4 m -135.11 119.83 18.3 Favored 'General case' 0 C--N 1.322 -0.599 1 O-C-N 129.768 4.418 . . . . 16.85 108.309 169.908 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . 61.45 43.12 99.74 Favored Glycine 0 N--CA 1.467 0.711 0 CA-C-O 123.411 1.561 . . . . 16.67 115.171 175.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 19.2 t -126.06 146.44 49.91 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 120.466 -1.608 . . . . 18.54 111.298 -177.114 -168.181 161.714 100.948 101.202 2.022 103.936 93.105 -68.352 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.53 -7.74 88.26 Favored Glycine 0 N--CA 1.44 -1.04 0 O-C-N 126.561 2.413 . . . . 16.34 117.44 -171.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -163.77 101.87 0.9 Allowed 'General case' 0 C--N 1.333 -0.121 0 O-C-N 119.269 -2.312 . . . . 19.96 108.849 -177.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 96.4 m -125.76 57.85 20.24 Favored Pre-proline 0 N--CA 1.44 -0.942 0 C-N-CA 125.03 1.332 . . . . 16.21 113.843 -172.41 -65.249 -109.425 -92.764 103.072 2.045 98.672 -165.642 -92.721 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -71.21 -13.97 31.29 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 CA-C-O 116.84 -1.4 . . . . 18.79 115.423 -175.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ASN . . . . . 0.413 ' HA ' ' HD3' ' B' ' 36' ' ' LYS . 74.3 m-80 -112.3 1.64 16.19 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 114.436 1.273 . . . . 17.98 114.436 177.341 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.02 142.24 52.78 Favored 'General case' 0 C--N 1.318 -0.789 0 O-C-N 121.433 -0.792 . . . . 14.91 112.001 -178.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 35.5 m -92.16 -14.89 8.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 123.112 0.565 . . . . 24.38 112.108 176.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 91.0 m -140.36 140.76 35.63 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 107.414 -1.328 . . . . 13.11 107.414 174.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' CYS . . . . . . . . . . . . . 22.9 m -131.07 139.26 49.87 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 125.305 1.628 . . . . 13.66 113.088 173.734 -79.754 -168.944 -95.128 100.47 2.051 101.808 -115.345 -64.645 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 97.0 m -127.47 124.72 39.05 Favored 'General case' 0 C--N 1.316 -0.849 1 O-C-N 129.424 4.202 . . . . 15.95 107.852 168.202 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 50.03 45.56 25.25 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-N 118.373 0.533 . . . . 22.73 112.33 177.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 71.0 m -132.45 165.03 25.24 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 124.63 1.206 . . . . 13.41 111.727 -176.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -110.44 154.63 23.34 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 118.624 -1.231 . . . . 25.95 113.033 -177.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' HIS . . . . . 0.561 ' HD2' ' OD2' ' B' ' 45' ' ' ASP . 28.9 m170 62.49 44.26 7.22 Favored 'General case' 0 C--O 1.238 0.489 0 O-C-N 126.752 2.533 . . . . 24.42 111.624 169.438 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' CYS . . . . . . . . . . . . . 87.7 m -90.14 57.72 3.86 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 113.975 -1.466 . . . . 13.67 112.698 -174.919 -64.645 -115.345 -95.128 101.808 2.051 100.47 -168.944 -79.754 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 21.7 m -70.94 -13.03 16.72 Favored 'Isoleucine or valine' 0 C--O 1.242 0.677 0 CA-C-O 117.488 -1.244 . . . . 20.59 113.765 -171.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' B' ' 24' ' ' ASN . 38.8 mtpt -105.0 -7.83 18.96 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 120.027 1.285 . . . . 32.54 112.136 177.037 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.03 139.77 58.78 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 123.057 1.408 . . . . 15.68 111.325 -172.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -82.32 -29.72 30.91 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 114.803 -1.09 . . . . 24.74 113.678 171.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 52.9 m -133.54 131.72 40.08 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.445 -0.798 . . . . 17.2 109.633 179.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 19.1 m -127.16 137.68 53.0 Favored 'General case' 0 C--O 1.211 -0.953 0 O-C-N 124.308 1.005 . . . . 13.07 111.212 176.865 -80.91 -164.363 -91.749 98.365 2.047 102.879 -113.622 -66.25 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 93.0 m -128.26 129.23 46.06 Favored 'General case' 0 C--N 1.312 -1.039 0 O-C-N 125.976 2.048 . . . . 13.62 108.014 166.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 61.07 26.07 65.24 Favored Glycine 0 C--N 1.345 1.054 0 C-N-CA 118.589 -1.767 . . . . 12.3 115.364 175.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 74.5 m -128.35 167.07 17.49 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 121.325 -1.103 . . . . 15.16 112.919 -167.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 63.5 p -114.74 159.9 20.01 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 124.778 1.299 . . . . 15.62 113.258 -175.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.561 ' OD2' ' HD2' ' B' ' 33' ' ' HIS . 81.6 m-20 61.65 38.16 15.48 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 112.67 -2.059 . . . . 21.55 111.68 174.946 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 94.0 m -85.23 56.66 4.05 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 122.71 1.243 . . . . 13.83 111.246 -174.112 -66.25 -113.622 -91.749 102.879 2.047 98.365 -164.363 -80.91 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -68.17 -20.37 64.87 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 113.664 -1.607 . . . . 17.44 115.078 -166.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 67.6 p -121.73 12.53 10.64 Favored 'General case' 0 C--O 1.245 0.829 0 C-N-CA 118.419 -1.313 . . . . 17.53 110.898 -179.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.33 143.96 53.63 Favored 'General case' 0 C--O 1.251 1.149 0 CA-C-O 123.107 1.432 . . . . 14.43 111.645 179.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.426 ' NE2' HD22 ' B' ' 62' ' ' ASN . 1.0 OUTLIER -82.9 -22.31 33.96 Favored 'General case' 0 C--N 1.361 1.072 0 C-N-CA 118.75 -1.18 . . . . 57.93 113.813 169.954 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 86.7 m -137.61 126.34 23.85 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-O 117.303 -1.332 . . . . 16.8 110.228 -176.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 60.7 m -127.91 139.57 52.52 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 127.437 2.961 . . . . 13.92 113.045 175.287 -73.96 -173.903 -95.065 102.569 2.038 104.111 -121.153 -64.116 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 87.1 m -131.4 120.22 22.75 Favored 'General case' 0 C--O 1.214 -0.81 0 O-C-N 125.836 1.96 . . . . 19.2 106.565 173.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 60.3 t30 47.89 48.51 17.76 Favored 'General case' 0 N--CA 1.457 -0.117 0 O-C-N 124.311 1.007 . . . . 20.27 112.812 -179.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 73.0 m -130.41 170.61 13.96 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 112.638 -2.074 . . . . 13.97 110.641 -177.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -113.1 142.76 45.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 125.61 1.819 . . . . 18.43 114.573 -173.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 62.38 53.95 2.65 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 114.585 -1.189 . . . . 16.71 113.4 170.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 81.6 m -93.34 63.68 3.6 Favored 'General case' 0 C--N 1.306 -1.29 0 O-C-N 126.465 2.353 . . . . 14.03 111.463 -176.697 -64.116 -121.153 -95.065 104.111 2.038 102.569 -173.903 -73.96 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -65.03 -19.35 65.95 Favored 'General case' 0 C--O 1.247 0.963 0 N-CA-C 114.629 1.344 . . . . 14.52 114.629 -167.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -119.72 2.29 11.11 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 112.656 0.613 . . . . 31.68 112.656 -176.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.48 142.27 56.66 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-O 126.192 2.901 . . . . 17.06 112.329 -176.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ASN . . . . . 0.426 HD22 ' NE2' ' B' ' 50' ' ' GLN . 80.4 m-20 -83.24 -22.78 33.0 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 119.561 -1.962 . . . . 33.01 113.938 168.225 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' THR . . . . . . . . . . . . . 64.6 m -136.28 127.68 28.46 Favored 'General case' 0 C--O 1.21 -0.975 0 CA-C-N 114.858 -1.065 . . . . 21.21 111.058 -176.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' CYS . . . . . . . . . . . . . 8.0 m -136.73 139.47 41.91 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 113.638 -1.619 . . . . 15.58 112.375 179.177 -84.386 -161.418 -85.752 101.209 2.051 102.271 -120.546 -66.3 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 40.5 m -130.95 128.2 39.98 Favored 'General case' 0 C--N 1.314 -0.963 0 O-C-N 124.906 1.379 . . . . 17.34 108.28 171.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 54.06 31.31 13.47 Favored 'General case' 0 C--O 1.244 0.777 0 N-CA-C 115.106 1.521 . . . . 20.89 115.106 176.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 67.7 m -122.25 167.84 12.74 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 122.873 0.469 . . . . 15.26 111.44 -171.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 60.8 p -113.24 147.15 38.1 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 117.156 -1.818 . . . . 16.14 113.596 -175.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 62.72 43.27 7.42 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 125.955 2.034 . . . . 18.44 111.403 168.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' CYS . . . . . . . . . . . . . 93.6 m -86.13 67.64 10.03 Favored 'General case' 0 C--O 1.215 -0.74 0 O-C-N 127.197 2.811 . . . . 14.77 109.47 -179.109 -66.3 -120.546 -85.752 102.271 2.051 101.209 -161.418 -84.386 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -68.67 -17.0 64.01 Favored 'General case' 0 C--O 1.251 1.149 0 N-CA-C 116.153 1.909 . . . . 17.82 116.153 -164.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -126.03 16.15 7.91 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 116.883 -1.927 . . . . 30.42 112.523 171.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.37 126.52 29.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 120.472 1.487 . . . . 24.8 113.192 -175.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 7.6 p -90.58 -25.06 20.38 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 123.467 0.707 . . . . 35.01 110.233 179.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.38 112.38 25.4 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 107.183 -1.414 . . . . 19.31 107.183 168.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 40.1 t -136.78 108.21 6.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.11 0.881 . . . . 23.17 110.438 -168.498 175.497 120.341 81.238 104.456 2.029 99.923 167.82 -64.288 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 77.5 m -122.07 120.12 33.38 Favored 'General case' 0 N--CA 1.444 -0.763 0 O-C-N 120.82 -1.175 . . . . 25.61 109.3 -179.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 46.96 46.82 15.85 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 125.381 1.676 . . . . 22.48 112.4 179.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 67.0 m -128.34 154.19 46.23 Favored 'General case' 0 C--O 1.247 0.928 0 N-CA-C 108.203 -1.036 . . . . 17.8 108.203 -177.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 93.9 p -94.2 158.59 15.52 Favored 'General case' 0 C--O 1.249 1.044 0 O-C-N 125.24 1.588 . . . . 15.64 113.455 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 71.68 13.26 74.76 Favored Glycine 0 C--O 1.243 0.713 0 N-CA-C 115.806 1.083 . . . . 14.42 115.806 173.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' CYS . . . . . . . . . . . . . 83.4 m -74.44 147.65 85.17 Favored Pre-proline 0 CA--C 1.52 -0.196 0 C-N-CA 117.864 -1.534 . . . . 19.79 113.884 -175.994 -64.288 167.82 81.238 99.923 2.029 104.456 120.341 175.497 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 CA--C 1.508 -0.782 0 CA-C-O 123.769 1.487 . . . . 25.69 113.936 176.963 . . . . . . . . 0 0 . 1 stop_ save_