data_6t2e_residue ############################ # Computer software used # ############################ 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 6t2e _Structure_validation_residue.Date_analyzed 2020-01-24 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 ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 . . . . . 0 N--CA 1.5 2.045 0 CA-C-O 118.358 -0.83 . . . . 58.92 112.019 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.8 m -77.01 123.05 25.79 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 119.612 1.096 . . . . 30.22 109.24 159.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.9 mt -91.96 135.13 34.19 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 125.288 1.435 . . . . 24.34 110.0 176.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.5 m -121.66 161.27 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.006 0 CA-C-O 121.557 0.694 . . . . 19.84 109.157 175.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -119.54 106.89 41.61 Favored Pre-proline 0 C--O 1.221 -0.446 0 CA-C-N 114.403 -1.271 . . . . 26.06 109.803 -175.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -64.77 136.97 51.71 Favored 'Trans proline' 0 C--O 1.201 -1.36 0 C-N-CA 123.01 2.474 . . . . 20.94 111.277 177.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -65.34 164.28 25.48 Favored Pre-proline 0 N--CA 1.426 -1.663 0 N-CA-C 107.025 -1.472 . . . . 30.08 107.025 169.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -47.67 -41.99 30.3 Favored 'Trans proline' 0 C--N 1.357 0.989 0 C-N-CA 122.982 2.454 . . . . 26.13 118.015 -173.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -71.61 -47.01 57.48 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 108.218 -1.03 . . . . 43.64 108.218 -175.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.5 tp -57.36 -45.18 84.66 Favored 'General case' 0 C--O 1.201 -1.483 0 C-N-CA 120.404 -0.518 . . . . 22.59 109.731 176.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.2 tp -56.13 -40.12 73.29 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 124.2 1.0 . . . . 22.78 112.318 177.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -66.44 -44.33 83.15 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 109.288 -0.634 . . . . 42.06 109.288 -179.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.8 tt -53.59 -55.5 25.17 Favored 'General case' 0 N--CA 1.401 -2.876 0 N-CA-C 109.342 -0.614 . . . . 19.94 109.342 173.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 28.9 mt -58.27 -39.85 80.31 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 118.16 -0.924 . . . . 20.34 110.067 -177.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -69.62 -22.46 63.49 Favored 'General case' 0 C--O 1.184 -2.382 0 O-C-N 124.117 0.886 . . . . 40.44 112.04 -176.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.3 p -75.17 -14.83 60.58 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 119.146 0.885 . . . . 23.44 110.369 179.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 m -118.93 31.91 1.91 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.971 0 N-CA-C 109.855 -0.424 . . . . 20.58 109.855 173.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.02 5.74 56.23 Favored Glycine 0 C--O 1.19 -2.617 0 CA-C-O 117.924 -1.486 . . . . 21.6 114.142 158.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.48 136.58 47.66 Favored 'General case' 0 C--O 1.26 1.616 0 CA-C-N 118.26 1.03 . . . . 22.87 110.285 -177.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -120.07 -11.28 9.28 Favored 'General case' 0 C--O 1.198 -1.61 0 CA-C-O 116.841 -1.552 . . . . 35.77 112.224 -163.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . 0.402 ' NZ ' ' OE1' ' A' ' 52' ' ' GLU . 36.0 mtmt -106.16 169.8 8.29 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 126.159 1.784 . . . . 31.21 111.246 -170.067 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -91.3 -27.73 18.22 Favored 'General case' 0 C--O 1.268 2.071 0 CA-C-N 114.004 -1.453 . . . . 26.28 111.238 172.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.7 p -128.97 160.58 32.24 Favored 'General case' 0 C--O 1.185 -2.322 0 O-C-N 124.522 1.139 . . . . 20.59 110.394 -177.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -159.52 142.6 14.2 Favored 'General case' 0 C--O 1.171 -3.052 0 C-N-CA 125.882 1.673 . . . . 18.14 108.593 -161.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.5 p -67.03 156.38 36.19 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 106.311 -1.736 . . . . 19.8 106.311 160.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 68.9 mmm -56.0 -41.71 75.29 Favored 'General case' 0 C--O 1.206 -1.222 0 O-C-N 123.676 0.61 . . . . 26.54 110.209 169.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -56.26 -38.79 71.64 Favored 'General case' 0 N--CA 1.433 -1.293 0 C-N-CA 119.533 -0.867 . . . . 29.57 109.964 178.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLU . . . . . 0.402 ' OE1' ' NZ ' ' A' ' 45' ' ' LYS . 23.2 mt-10 -65.75 -42.4 90.96 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 124.05 0.844 . . . . 33.41 109.97 179.031 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.98 -38.24 81.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 107.726 -1.212 . . . . 18.39 107.726 -175.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 70.7 mt -75.7 -37.53 59.39 Favored 'General case' 0 N--CA 1.414 -2.24 0 CA-C-N 115.501 -0.772 . . . . 18.82 109.805 -178.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -51.9 -60.52 3.08 Favored 'General case' 0 C--O 1.18 -2.585 0 N-CA-C 108.973 -0.751 . . . . 20.79 108.973 177.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -59.19 -42.61 91.31 Favored 'General case' 0 C--O 1.248 0.978 0 CA-C-O 121.123 0.487 . . . . 20.32 111.491 -177.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.8 tp -65.58 -38.28 89.06 Favored 'General case' 0 C--O 1.258 1.521 0 CA-C-O 121.898 0.856 . . . . 23.75 111.073 -178.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.78 -45.37 96.38 Favored Glycine 0 C--O 1.197 -2.159 0 CA-C-N 114.751 -1.113 . . . . 16.5 112.112 173.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -62.47 -49.07 76.85 Favored 'General case' 0 C--O 1.203 -1.371 0 C-N-CA 123.887 0.875 . . . . 20.89 112.096 178.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -48.3 -44.96 34.39 Favored 'General case' 0 C--O 1.171 -3.03 0 C-N-CA 124.334 1.054 . . . . 18.27 109.751 175.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 44.3 mt -75.67 -40.2 40.08 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.678 0 CA-C-O 117.649 -1.167 . . . . 22.82 110.26 -171.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 42.5 mtm -63.66 -55.78 20.85 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 119.118 0.872 . . . . 56.48 111.257 172.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -37.48 -63.79 0.42 Allowed 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 128.14 2.576 . . . . 39.81 110.549 171.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -77.56 -10.85 59.73 Favored 'General case' 0 C--O 1.199 -1.586 0 C-N-CA 123.515 0.726 . . . . 40.25 111.635 -175.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 68.05 39.23 2.51 Favored 'General case' 0 C--O 1.247 0.969 0 N-CA-C 108.351 -0.981 . . . . 51.0 108.351 169.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.3 mt -80.09 -18.52 49.72 Favored 'General case' 0 C--O 1.215 -0.738 0 C-N-CA 124.468 1.107 . . . . 26.57 112.327 -175.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -73.79 153.57 39.91 Favored 'General case' 0 C--O 1.192 -1.97 0 CA-C-N 118.373 0.533 . . . . 27.61 110.189 -179.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -74.82 136.01 41.61 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 106.972 -1.492 . . . . 24.28 106.972 178.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -61.0 -48.72 80.52 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 125.205 1.566 . . . . 38.65 112.318 -178.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -82.65 -30.74 29.12 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.44 1.496 . . . . 57.27 111.984 -172.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -131.57 83.09 2.07 Favored 'General case' 0 N--CA 1.416 -2.135 0 N-CA-C 105.278 -2.119 . . . . 47.21 105.278 -172.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -80.57 -8.68 59.68 Favored 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 119.481 -0.887 . . . . 26.7 112.802 -155.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -73.44 -14.98 61.35 Favored 'General case' 0 C--O 1.187 -2.199 0 C-N-CA 124.87 1.268 . . . . 23.76 112.622 166.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.4 mm -84.57 128.36 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 O-C-N 120.691 -1.256 . . . . 21.54 109.888 174.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -119.97 120.92 64.61 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.397 0 C-N-CA 126.842 2.057 . . . . 19.51 108.921 177.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -96.89 112.74 24.36 Favored 'General case' 0 C--O 1.21 -0.992 0 C-N-CA 124.644 1.178 . . . . 24.0 108.234 176.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.7 p -120.48 1.39 10.66 Favored 'General case' 0 C--O 1.265 1.878 0 O-C-N 123.516 0.51 . . . . 20.95 111.531 -174.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.2 t -55.14 142.26 31.6 Favored 'General case' 0 C--O 1.203 -1.37 0 C-N-CA 116.38 -2.128 . . . . 25.31 108.795 173.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 71.29 45.08 0.5 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 123.226 1.488 . . . . 26.28 109.918 170.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -160.53 149.56 17.04 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-N 113.622 -1.626 . . . . 28.27 108.86 -174.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.4 tp -50.8 -34.5 27.84 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.639 -0.71 . . . . 23.71 109.602 174.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.8 tp -65.18 -36.77 85.24 Favored 'General case' 0 C--O 1.207 -1.18 0 O-C-N 123.362 0.414 . . . . 21.27 110.635 178.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.72 -41.39 99.84 Favored Glycine 0 N--CA 1.496 2.651 0 C-N-CA 124.835 1.207 . . . . 22.93 112.533 173.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -61.71 -42.36 98.85 Favored 'General case' 0 C--O 1.264 1.86 0 CA-C-O 119.564 -0.255 . . . . 34.47 111.152 174.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.8 mt -68.3 -37.02 80.22 Favored 'General case' 0 C--O 1.197 -1.678 0 N-CA-C 108.218 -1.03 . . . . 29.74 108.218 -176.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -92.87 -34.04 13.98 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-O 118.878 -0.582 . . . . 39.27 110.759 -165.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.08 21.03 63.75 Favored Glycine 0 C--O 1.262 1.883 0 CA-C-O 118.527 -1.152 . . . . 30.61 112.33 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.9 m -140.47 154.09 69.1 Favored Pre-proline 0 N--CA 1.495 1.822 0 C-N-CA 125.797 1.639 . . . . 31.81 109.383 -179.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -82.81 -19.26 6.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 122.544 2.162 . . . . 26.03 112.982 177.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 83.3 p -160.39 166.62 29.01 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 122.532 1.158 . . . . 24.91 111.482 177.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -162.79 163.42 26.65 Favored 'General case' 0 N--CA 1.425 -1.704 0 CA-C-N 114.615 -1.175 . . . . 21.19 110.02 176.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.5 t -99.1 136.03 39.66 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 124.229 0.956 . . . . 23.08 110.089 173.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.6 t -65.02 -11.04 10.88 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 C-N-CA 124.637 1.175 . . . . 24.75 110.607 171.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -77.79 -28.43 50.48 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 118.988 0.813 . . . . 40.68 111.796 170.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -71.08 71.64 0.57 Allowed 'General case' 0 CA--C 1.544 0.739 0 O-C-N 120.949 -1.094 . . . . 40.88 109.597 176.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -55.73 -50.63 69.84 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.426 1.09 . . . . 26.12 110.478 -175.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 -65.33 -41.43 93.95 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-O 122.403 1.097 . . . . 38.46 110.287 -174.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 42.4 tttt -59.5 -46.36 89.03 Favored 'General case' 0 C--O 1.198 -1.653 0 N-CA-C 108.219 -1.03 . . . . 49.91 108.219 -176.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.41 -51.24 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.879 0 CA-C-O 118.762 -0.637 . . . . 24.07 111.201 -179.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -58.26 -36.33 73.09 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 121.388 0.613 . . . . 23.99 110.636 178.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 63.2 m -60.25 -46.47 89.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.152 -0.476 . . . . 31.44 109.934 178.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 29.1 mmt -58.75 -45.86 88.76 Favored 'General case' 0 C--O 1.213 -0.848 0 N-CA-C 108.302 -0.999 . . . . 64.12 108.302 -179.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 79.2 mt -61.17 -49.29 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.581 0 N-CA-C 108.915 -0.772 . . . . 31.53 108.915 -177.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -69.54 -14.11 62.68 Favored 'General case' 0 N--CA 1.422 -1.841 0 O-C-N 124.705 1.253 . . . . 68.11 110.564 -173.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -80.51 -12.12 59.58 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.402 1.001 . . . . 49.52 110.272 171.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -119.56 36.29 4.55 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.809 1.244 . . . . 28.1 109.645 -171.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 78.8 mt -121.63 139.63 53.29 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 124.743 1.217 . . . . 29.29 111.4 175.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 72.7 t -70.99 131.0 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 107.132 -1.433 . . . . 32.58 107.132 169.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 25.9 m . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 107.708 -1.219 . . . . 55.71 107.708 -179.555 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 108.842 -0.799 . . . . 49.98 108.842 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 59.3 m -64.2 -42.68 96.54 Favored 'General case' 0 C--O 1.221 -0.401 0 O-C-N 124.495 1.122 . . . . 32.63 110.369 -177.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -56.7 -34.6 67.59 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 112.408 0.522 . . . . 25.36 112.408 176.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -72.34 -31.33 65.55 Favored 'General case' 0 N--CA 1.419 -2.01 0 O-C-N 120.848 -1.158 . . . . 41.96 108.326 -176.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -84.77 -24.93 28.56 Favored 'General case' 0 C--O 1.201 -1.488 0 CA-C-O 118.859 -0.591 . . . . 54.38 111.967 -177.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -69.46 -39.55 77.68 Favored 'General case' 0 C--O 1.209 -1.04 0 CA-C-N 119.655 1.116 . . . . 39.22 109.331 166.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 35.7 t-105 -71.9 -33.41 68.31 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 112.635 0.605 . . . . 25.59 112.635 -177.007 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.68 -49.32 73.63 Favored 'General case' 0 C--O 1.193 -1.889 0 N-CA-C 107.796 -1.187 . . . . 32.12 107.796 179.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' B' ' 101' ' ' HOH . 4.3 tt0 -38.87 -49.84 1.68 Allowed 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 126.575 1.95 . . . . 51.76 110.785 167.734 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 18.2 tp -60.23 -37.17 79.51 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 126.736 2.014 . . . . 34.79 111.448 -176.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -71.61 -22.15 61.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 118.909 -0.567 . . . . 53.69 110.39 -175.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.14 -24.89 67.53 Favored 'General case' 0 N--CA 1.522 3.166 0 CA-C-N 118.243 0.474 . . . . 36.15 111.52 -176.187 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.36 -10.86 59.7 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 112.837 0.68 . . . . 29.28 112.837 -179.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 2.23 0 C-N-CA 125.108 1.363 . . . . 26.78 112.753 -167.254 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . 0.507 ' O ' ' NE2' ' B' ' 9' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 . . . . . 0 N--CA 1.5 2.045 0 CA-C-O 118.358 -0.83 . . . . 58.920000000000002 112.019 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.8 m -77.01 123.05 25.79 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 119.612 1.096 . . . . 30.219999999999999 109.24 159.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.9 mt -91.96 135.13 34.19 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 125.288 1.435 . . . . 24.34 110.0 176.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.5 m -121.66 161.27 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.006 0 CA-C-O 121.557 0.694 . . . . 19.84 109.157 175.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -119.54 106.89 41.61 Favored Pre-proline 0 C--O 1.221 -0.446 0 CA-C-N 114.403 -1.271 . . . . 26.059999999999999 109.803 -175.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -64.77 136.97 51.71 Favored 'Trans proline' 0 C--O 1.201 -1.36 0 C-N-CA 123.01 2.474 . . . . 20.940000000000001 111.277 177.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -65.34 164.28 25.48 Favored Pre-proline 0 N--CA 1.426 -1.663 0 N-CA-C 107.025 -1.472 . . . . 30.079999999999998 107.025 169.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -47.67 -41.99 30.3 Favored 'Trans proline' 0 C--N 1.357 0.989 0 C-N-CA 122.982 2.454 . . . . 26.129999999999999 118.015 -173.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLU . . . . . 0.635 ' HG2' ' O ' ' A' ' 222' ' ' HOH . 29.1 mt-10 -71.61 -47.01 57.48 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 108.218 -1.03 . . . . 43.640000000000001 108.218 -175.674 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.5 tp -57.36 -45.18 84.66 Favored 'General case' 0 C--O 1.201 -1.483 0 C-N-CA 120.404 -0.518 . . . . 22.59 109.731 176.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.2 tp -56.13 -40.12 73.29 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 124.2 1.0 . . . . 22.780000000000001 112.318 177.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -66.44 -44.33 83.15 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 109.288 -0.634 . . . . 42.060000000000002 109.288 -179.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.8 tt -53.59 -55.5 25.17 Favored 'General case' 0 N--CA 1.401 -2.876 0 N-CA-C 109.342 -0.614 . . . . 19.940000000000001 109.342 173.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . 0.552 HD22 ' HB2' ' A' ' 56' ' ' TYR . 28.9 mt -58.27 -39.85 80.31 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 118.16 -0.924 . . . . 20.34 110.067 -177.142 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -69.62 -22.46 63.49 Favored 'General case' 0 C--O 1.184 -2.382 0 O-C-N 124.117 0.886 . . . . 40.439999999999998 112.04 -176.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.3 p -75.17 -14.83 60.58 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 119.146 0.885 . . . . 23.440000000000001 110.369 179.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 m -118.93 31.91 1.91 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.971 0 N-CA-C 109.855 -0.424 . . . . 20.579999999999998 109.855 173.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.02 5.74 56.23 Favored Glycine 0 C--O 1.19 -2.617 0 CA-C-O 117.924 -1.486 . . . . 21.600000000000001 114.142 158.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.48 136.58 47.66 Favored 'General case' 0 C--O 1.26 1.616 0 CA-C-N 118.26 1.03 . . . . 22.870000000000001 110.285 -177.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -120.07 -11.28 9.28 Favored 'General case' 0 C--O 1.198 -1.61 0 CA-C-O 116.841 -1.552 . . . . 35.770000000000003 112.224 -163.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -106.16 169.8 8.29 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 126.159 1.784 . . . . 31.210000000000001 111.246 -170.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -91.3 -27.73 18.22 Favored 'General case' 0 C--O 1.268 2.071 0 CA-C-N 114.004 -1.453 . . . . 26.280000000000001 111.238 172.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.7 p -128.97 160.58 32.24 Favored 'General case' 0 C--O 1.185 -2.322 0 O-C-N 124.522 1.139 . . . . 20.59 110.394 -177.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -159.52 142.6 14.2 Favored 'General case' 0 C--O 1.171 -3.052 0 C-N-CA 125.882 1.673 . . . . 18.140000000000001 108.593 -161.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.5 p -67.03 156.38 36.19 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 106.311 -1.736 . . . . 19.800000000000001 106.311 160.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 68.9 mmm -56.0 -41.71 75.29 Favored 'General case' 0 C--O 1.206 -1.222 0 O-C-N 123.676 0.61 . . . . 26.539999999999999 110.209 169.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -56.26 -38.79 71.64 Favored 'General case' 0 N--CA 1.433 -1.293 0 C-N-CA 119.533 -0.867 . . . . 29.57 109.964 178.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -65.75 -42.4 90.96 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 124.05 0.844 . . . . 33.409999999999997 109.97 179.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.98 -38.24 81.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 107.726 -1.212 . . . . 18.390000000000001 107.726 -175.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 70.7 mt -75.7 -37.53 59.39 Favored 'General case' 0 N--CA 1.414 -2.24 0 CA-C-N 115.501 -0.772 . . . . 18.82 109.805 -178.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -51.9 -60.52 3.08 Favored 'General case' 0 C--O 1.18 -2.585 0 N-CA-C 108.973 -0.751 . . . . 20.789999999999999 108.973 177.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' TYR . . . . . 0.552 ' HB2' HD22 ' A' ' 38' ' ' LEU . 51.4 m-85 -59.19 -42.61 91.31 Favored 'General case' 0 C--O 1.248 0.978 0 CA-C-O 121.123 0.487 . . . . 20.32 111.491 -177.167 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.8 tp -65.58 -38.28 89.06 Favored 'General case' 0 C--O 1.258 1.521 0 CA-C-O 121.898 0.856 . . . . 23.75 111.073 -178.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.78 -45.37 96.38 Favored Glycine 0 C--O 1.197 -2.159 0 CA-C-N 114.751 -1.113 . . . . 16.5 112.112 173.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLN . . . . . 0.416 ' O ' ' HB ' ' A' ' 63' ' ' THR . 25.3 mm100 -62.47 -49.07 76.85 Favored 'General case' 0 C--O 1.203 -1.371 0 C-N-CA 123.887 0.875 . . . . 20.890000000000001 112.096 178.937 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -48.3 -44.96 34.39 Favored 'General case' 0 C--O 1.171 -3.03 0 C-N-CA 124.334 1.054 . . . . 18.27 109.751 175.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 44.3 mt -75.67 -40.2 40.08 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.678 0 CA-C-O 117.649 -1.167 . . . . 22.82 110.26 -171.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 42.5 mtm -63.66 -55.78 20.85 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 119.118 0.872 . . . . 56.479999999999997 111.257 172.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 59' ' ' GLN . 1.3 m -37.48 -63.79 0.42 Allowed 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 128.14 2.576 . . . . 39.810000000000002 110.549 171.838 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -77.56 -10.85 59.73 Favored 'General case' 0 C--O 1.199 -1.586 0 C-N-CA 123.515 0.726 . . . . 40.25 111.635 -175.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 68.05 39.23 2.51 Favored 'General case' 0 C--O 1.247 0.969 0 N-CA-C 108.351 -0.981 . . . . 51.0 108.351 169.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.3 mt -80.09 -18.52 49.72 Favored 'General case' 0 C--O 1.215 -0.738 0 C-N-CA 124.468 1.107 . . . . 26.57 112.327 -175.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -73.79 153.57 39.91 Favored 'General case' 0 C--O 1.192 -1.97 0 CA-C-N 118.373 0.533 . . . . 27.609999999999999 110.189 -179.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -74.82 136.01 41.61 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 106.972 -1.492 . . . . 24.280000000000001 106.972 178.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -61.0 -48.72 80.52 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 125.205 1.566 . . . . 38.649999999999999 112.318 -178.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -82.65 -30.74 29.12 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.44 1.496 . . . . 57.270000000000003 111.984 -172.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -131.57 83.09 2.07 Favored 'General case' 0 N--CA 1.416 -2.135 0 N-CA-C 105.278 -2.119 . . . . 47.210000000000001 105.278 -172.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -80.57 -8.68 59.68 Favored 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 119.481 -0.887 . . . . 26.699999999999999 112.802 -155.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -73.44 -14.98 61.35 Favored 'General case' 0 C--O 1.187 -2.199 0 C-N-CA 124.87 1.268 . . . . 23.760000000000002 112.622 166.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.4 mm -84.57 128.36 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 O-C-N 120.691 -1.256 . . . . 21.539999999999999 109.888 174.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -119.97 120.92 64.61 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.397 0 C-N-CA 126.842 2.057 . . . . 19.510000000000002 108.921 177.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -96.89 112.74 24.36 Favored 'General case' 0 C--O 1.21 -0.992 0 C-N-CA 124.644 1.178 . . . . 24.0 108.234 176.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.7 p -120.48 1.39 10.66 Favored 'General case' 0 C--O 1.265 1.878 0 O-C-N 123.516 0.51 . . . . 20.949999999999999 111.531 -174.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.2 t -55.14 142.26 31.6 Favored 'General case' 0 C--O 1.203 -1.37 0 C-N-CA 116.38 -2.128 . . . . 25.309999999999999 108.795 173.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 71.29 45.08 0.5 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 123.226 1.488 . . . . 26.280000000000001 109.918 170.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -160.53 149.56 17.04 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-N 113.622 -1.626 . . . . 28.27 108.86 -174.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.4 tp -50.8 -34.5 27.84 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.639 -0.71 . . . . 23.710000000000001 109.602 174.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.8 tp -65.18 -36.77 85.24 Favored 'General case' 0 C--O 1.207 -1.18 0 O-C-N 123.362 0.414 . . . . 21.27 110.635 178.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.72 -41.39 99.84 Favored Glycine 0 N--CA 1.496 2.651 0 C-N-CA 124.835 1.207 . . . . 22.93 112.533 173.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -61.71 -42.36 98.85 Favored 'General case' 0 C--O 1.264 1.86 0 CA-C-O 119.564 -0.255 . . . . 34.469999999999999 111.152 174.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.8 mt -68.3 -37.02 80.22 Favored 'General case' 0 C--O 1.197 -1.678 0 N-CA-C 108.218 -1.03 . . . . 29.739999999999998 108.218 -176.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' PHE . . . . . 0.515 ' HE1' ' O ' ' A' ' 220' ' ' HOH . 3.8 m-30 -92.87 -34.04 13.98 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-O 118.878 -0.582 . . . . 39.270000000000003 110.759 -165.501 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.08 21.03 63.75 Favored Glycine 0 C--O 1.262 1.883 0 CA-C-O 118.527 -1.152 . . . . 30.609999999999999 112.33 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.9 m -140.47 154.09 69.1 Favored Pre-proline 0 N--CA 1.495 1.822 0 C-N-CA 125.797 1.639 . . . . 31.809999999999999 109.383 -179.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -82.81 -19.26 6.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 122.544 2.162 . . . . 26.030000000000001 112.982 177.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 83.3 p -160.39 166.62 29.01 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 122.532 1.158 . . . . 24.91 111.482 177.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -162.79 163.42 26.65 Favored 'General case' 0 N--CA 1.425 -1.704 0 CA-C-N 114.615 -1.175 . . . . 21.190000000000001 110.02 176.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' SER . . . . . 0.438 ' HB3' ' HG3' ' A' ' 95' ' ' GLU . 39.5 t -99.1 136.03 39.66 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 124.229 0.956 . . . . 23.079999999999998 110.089 173.651 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.6 t -65.02 -11.04 10.88 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 C-N-CA 124.637 1.175 . . . . 24.75 110.607 171.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -77.79 -28.43 50.48 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 118.988 0.813 . . . . 40.68 111.796 170.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLU . . . . . 0.438 ' HG3' ' HB3' ' A' ' 92' ' ' SER . 4.4 mt-10 -71.08 71.64 0.57 Allowed 'General case' 0 CA--C 1.544 0.739 0 O-C-N 120.949 -1.094 . . . . 40.880000000000003 109.597 176.788 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -55.73 -50.63 69.84 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.426 1.09 . . . . 26.120000000000001 110.478 -175.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 -65.33 -41.43 93.95 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-O 122.403 1.097 . . . . 38.460000000000001 110.287 -174.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 42.4 tttt -59.5 -46.36 89.03 Favored 'General case' 0 C--O 1.198 -1.653 0 N-CA-C 108.219 -1.03 . . . . 49.909999999999997 108.219 -176.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.41 -51.24 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.879 0 CA-C-O 118.762 -0.637 . . . . 24.07 111.201 -179.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -58.26 -36.33 73.09 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 121.388 0.613 . . . . 23.989999999999998 110.636 178.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 63.2 m -60.25 -46.47 89.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.152 -0.476 . . . . 31.440000000000001 109.934 178.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 29.1 mmt -58.75 -45.86 88.76 Favored 'General case' 0 C--O 1.213 -0.848 0 N-CA-C 108.302 -0.999 . . . . 64.120000000000005 108.302 -179.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 79.2 mt -61.17 -49.29 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.581 0 N-CA-C 108.915 -0.772 . . . . 31.530000000000001 108.915 -177.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -69.54 -14.11 62.68 Favored 'General case' 0 N--CA 1.422 -1.841 0 O-C-N 124.705 1.253 . . . . 68.109999999999999 110.564 -173.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -80.51 -12.12 59.58 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.402 1.001 . . . . 49.520000000000003 110.272 171.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -119.56 36.29 4.55 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.809 1.244 . . . . 28.100000000000001 109.645 -171.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 78.8 mt -121.63 139.63 53.29 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 124.743 1.217 . . . . 29.289999999999999 111.4 175.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 72.7 t -70.99 131.0 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 107.132 -1.433 . . . . 32.579999999999998 107.132 169.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 25.9 m . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 107.708 -1.219 . . . . 55.710000000000001 107.708 -179.555 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' LEU . . . . . 0.755 HD12 ' H ' ' B' ' 4' ' ' GLU . 3.6 pp . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 108.842 -0.799 . . . . 49.979999999999997 108.842 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 59.3 m -64.2 -42.68 96.54 Favored 'General case' 0 C--O 1.221 -0.401 0 O-C-N 124.495 1.122 . . . . 32.630000000000003 110.369 -177.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' PHE . . . . . 0.605 ' HB3' ' CD1' ' B' ' 1' ' ' LEU . 47.9 t80 -56.7 -34.6 67.59 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 112.408 0.522 . . . . 25.359999999999999 112.408 176.49 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLU . . . . . 0.755 ' H ' HD12 ' B' ' 1' ' ' LEU . 17.5 mt-10 -72.34 -31.33 65.55 Favored 'General case' 0 N--CA 1.419 -2.01 0 O-C-N 120.848 -1.158 . . . . 41.960000000000001 108.326 -176.021 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -84.77 -24.93 28.56 Favored 'General case' 0 C--O 1.201 -1.488 0 CA-C-O 118.859 -0.591 . . . . 54.380000000000003 111.967 -177.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -69.46 -39.55 77.68 Favored 'General case' 0 C--O 1.209 -1.04 0 CA-C-N 119.655 1.116 . . . . 39.219999999999999 109.331 166.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 35.7 t-105 -71.9 -33.41 68.31 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 112.635 0.605 . . . . 25.59 112.635 -177.007 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.68 -49.32 73.63 Favored 'General case' 0 C--O 1.193 -1.889 0 N-CA-C 107.796 -1.187 . . . . 32.119999999999997 107.796 179.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -38.87 -49.84 1.68 Allowed 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 126.575 1.95 . . . . 51.759999999999998 110.785 167.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 18.2 tp -60.23 -37.17 79.51 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 126.736 2.014 . . . . 34.789999999999999 111.448 -176.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -71.61 -22.15 61.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 118.909 -0.567 . . . . 53.689999999999998 110.39 -175.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.14 -24.89 67.53 Favored 'General case' 0 N--CA 1.522 3.166 0 CA-C-N 118.243 0.474 . . . . 36.149999999999999 111.52 -176.187 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.36 -10.86 59.7 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 112.837 0.68 . . . . 29.280000000000001 112.837 -179.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 2.23 0 C-N-CA 125.108 1.363 . . . . 26.780000000000001 112.753 -167.254 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . 0.515 ' O ' ' HE1' ' A' ' 86' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . 0.635 ' O ' ' HG2' ' A' ' 33' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 . . . . . 0 N--CA 1.5 2.045 0 CA-C-O 118.358 -0.83 . . . . 58.92 112.019 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.8 m -77.01 123.05 25.79 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 119.612 1.096 . . . . 30.22 109.24 159.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.9 mt -91.96 135.13 34.19 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 125.288 1.435 . . . . 24.34 110.0 176.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.5 m -121.66 161.27 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.006 0 CA-C-O 121.557 0.694 . . . . 19.84 109.157 175.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -119.54 106.89 41.61 Favored Pre-proline 0 C--O 1.221 -0.446 0 CA-C-N 114.403 -1.271 . . . . 26.06 109.803 -175.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -64.77 136.97 51.71 Favored 'Trans proline' 0 C--O 1.201 -1.36 0 C-N-CA 123.01 2.474 . . . . 20.94 111.277 177.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -65.34 164.28 25.48 Favored Pre-proline 0 N--CA 1.426 -1.663 0 N-CA-C 107.025 -1.472 . . . . 30.08 107.025 169.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -47.67 -41.99 30.3 Favored 'Trans proline' 0 C--N 1.357 0.989 0 C-N-CA 122.982 2.454 . . . . 26.13 118.015 -173.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.635 ' HG2' ' O ' ' A' ' 222' ' ' HOH . 29.1 mt-10 -71.61 -47.01 57.48 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 108.218 -1.03 . . . . 43.64 108.218 -175.674 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.5 tp -57.36 -45.18 84.66 Favored 'General case' 0 C--O 1.201 -1.483 0 C-N-CA 120.404 -0.518 . . . . 22.59 109.731 176.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.2 tp -56.13 -40.12 73.29 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 124.2 1.0 . . . . 22.78 112.318 177.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -66.44 -44.33 83.15 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 109.288 -0.634 . . . . 42.06 109.288 -179.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.8 tt -53.59 -55.5 25.17 Favored 'General case' 0 N--CA 1.401 -2.876 0 N-CA-C 109.342 -0.614 . . . . 19.94 109.342 173.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.552 HD22 ' HB2' ' A' ' 56' ' ' TYR . 28.9 mt -58.27 -39.85 80.31 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 118.16 -0.924 . . . . 20.34 110.067 -177.142 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -69.62 -22.46 63.49 Favored 'General case' 0 C--O 1.184 -2.382 0 O-C-N 124.117 0.886 . . . . 40.44 112.04 -176.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.3 p -75.17 -14.83 60.58 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 119.146 0.885 . . . . 23.44 110.369 179.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 m -118.93 31.91 1.91 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.971 0 N-CA-C 109.855 -0.424 . . . . 20.58 109.855 173.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.02 5.74 56.23 Favored Glycine 0 C--O 1.19 -2.617 0 CA-C-O 117.924 -1.486 . . . . 21.6 114.142 158.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.48 136.58 47.66 Favored 'General case' 0 C--O 1.26 1.616 0 CA-C-N 118.26 1.03 . . . . 22.87 110.285 -177.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -120.07 -11.28 9.28 Favored 'General case' 0 C--O 1.198 -1.61 0 CA-C-O 116.841 -1.552 . . . . 35.77 112.224 -163.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -106.16 169.8 8.29 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 126.159 1.784 . . . . 31.21 111.246 -170.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -91.3 -27.73 18.22 Favored 'General case' 0 C--O 1.268 2.071 0 CA-C-N 114.004 -1.453 . . . . 26.28 111.238 172.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.7 p -128.97 160.58 32.24 Favored 'General case' 0 C--O 1.185 -2.322 0 O-C-N 124.522 1.139 . . . . 20.59 110.394 -177.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -159.52 142.6 14.2 Favored 'General case' 0 C--O 1.171 -3.052 0 C-N-CA 125.882 1.673 . . . . 18.14 108.593 -161.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.5 p -67.03 156.38 36.19 Favored 'General case' 0 C--O 1.24 0.567 0 N-CA-C 106.311 -1.736 . . . . 19.8 106.311 160.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 68.9 mmm -56.0 -41.71 75.29 Favored 'General case' 0 C--O 1.206 -1.222 0 O-C-N 123.676 0.61 . . . . 26.54 110.209 169.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -56.26 -38.79 71.64 Favored 'General case' 0 N--CA 1.433 -1.293 0 C-N-CA 119.533 -0.867 . . . . 29.57 109.964 178.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -65.75 -42.4 90.96 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 124.05 0.844 . . . . 33.41 109.97 179.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.98 -38.24 81.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 N-CA-C 107.726 -1.212 . . . . 18.39 107.726 -175.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 70.7 mt -75.7 -37.53 59.39 Favored 'General case' 0 N--CA 1.414 -2.24 0 CA-C-N 115.501 -0.772 . . . . 18.82 109.805 -178.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -51.9 -60.52 3.08 Favored 'General case' 0 C--O 1.18 -2.585 0 N-CA-C 108.973 -0.751 . . . . 20.79 108.973 177.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.552 ' HB2' HD22 ' A' ' 38' ' ' LEU . 51.4 m-85 -59.19 -42.61 91.31 Favored 'General case' 0 C--O 1.248 0.978 0 CA-C-O 121.123 0.487 . . . . 20.32 111.491 -177.167 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.8 tp -65.58 -38.28 89.06 Favored 'General case' 0 C--O 1.258 1.521 0 CA-C-O 121.898 0.856 . . . . 23.75 111.073 -178.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.78 -45.37 96.38 Favored Glycine 0 C--O 1.197 -2.159 0 CA-C-N 114.751 -1.113 . . . . 16.5 112.112 173.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.416 ' O ' ' HB ' ' A' ' 63' ' ' THR . 25.3 mm100 -62.47 -49.07 76.85 Favored 'General case' 0 C--O 1.203 -1.371 0 C-N-CA 123.887 0.875 . . . . 20.89 112.096 178.937 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -48.3 -44.96 34.39 Favored 'General case' 0 C--O 1.171 -3.03 0 C-N-CA 124.334 1.054 . . . . 18.27 109.751 175.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 44.3 mt -75.67 -40.2 40.08 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.678 0 CA-C-O 117.649 -1.167 . . . . 22.82 110.26 -171.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 42.5 mtm -63.66 -55.78 20.85 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 119.118 0.872 . . . . 56.48 111.257 172.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 59' ' ' GLN . 1.3 m -37.48 -63.79 0.42 Allowed 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 128.14 2.576 . . . . 39.81 110.549 171.838 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -77.56 -10.85 59.73 Favored 'General case' 0 C--O 1.199 -1.586 0 C-N-CA 123.515 0.726 . . . . 40.25 111.635 -175.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 68.05 39.23 2.51 Favored 'General case' 0 C--O 1.247 0.969 0 N-CA-C 108.351 -0.981 . . . . 51.0 108.351 169.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.3 mt -80.09 -18.52 49.72 Favored 'General case' 0 C--O 1.215 -0.738 0 C-N-CA 124.468 1.107 . . . . 26.57 112.327 -175.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -73.79 153.57 39.91 Favored 'General case' 0 C--O 1.192 -1.97 0 CA-C-N 118.373 0.533 . . . . 27.61 110.189 -179.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -74.82 136.01 41.61 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 106.972 -1.492 . . . . 24.28 106.972 178.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -61.0 -48.72 80.52 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 125.205 1.566 . . . . 38.65 112.318 -178.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -82.65 -30.74 29.12 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.44 1.496 . . . . 57.27 111.984 -172.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -131.57 83.09 2.07 Favored 'General case' 0 N--CA 1.416 -2.135 0 N-CA-C 105.278 -2.119 . . . . 47.21 105.278 -172.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -80.57 -8.68 59.68 Favored 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 119.481 -0.887 . . . . 26.7 112.802 -155.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -73.44 -14.98 61.35 Favored 'General case' 0 C--O 1.187 -2.199 0 C-N-CA 124.87 1.268 . . . . 23.76 112.622 166.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.4 mm -84.57 128.36 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 O-C-N 120.691 -1.256 . . . . 21.54 109.888 174.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -119.97 120.92 64.61 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.397 0 C-N-CA 126.842 2.057 . . . . 19.51 108.921 177.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -96.89 112.74 24.36 Favored 'General case' 0 C--O 1.21 -0.992 0 C-N-CA 124.644 1.178 . . . . 24.0 108.234 176.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.7 p -120.48 1.39 10.66 Favored 'General case' 0 C--O 1.265 1.878 0 O-C-N 123.516 0.51 . . . . 20.95 111.531 -174.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.2 t -55.14 142.26 31.6 Favored 'General case' 0 C--O 1.203 -1.37 0 C-N-CA 116.38 -2.128 . . . . 25.31 108.795 173.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 71.29 45.08 0.5 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 123.226 1.488 . . . . 26.28 109.918 170.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -160.53 149.56 17.04 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-N 113.622 -1.626 . . . . 28.27 108.86 -174.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.4 tp -50.8 -34.5 27.84 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.639 -0.71 . . . . 23.71 109.602 174.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.8 tp -65.18 -36.77 85.24 Favored 'General case' 0 C--O 1.207 -1.18 0 O-C-N 123.362 0.414 . . . . 21.27 110.635 178.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.72 -41.39 99.84 Favored Glycine 0 N--CA 1.496 2.651 0 C-N-CA 124.835 1.207 . . . . 22.93 112.533 173.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -61.71 -42.36 98.85 Favored 'General case' 0 C--O 1.264 1.86 0 CA-C-O 119.564 -0.255 . . . . 34.47 111.152 174.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 20.8 mt -68.3 -37.02 80.22 Favored 'General case' 0 C--O 1.197 -1.678 0 N-CA-C 108.218 -1.03 . . . . 29.74 108.218 -176.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.515 ' HE1' ' O ' ' A' ' 220' ' ' HOH . 3.8 m-30 -92.87 -34.04 13.98 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-O 118.878 -0.582 . . . . 39.27 110.759 -165.501 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.08 21.03 63.75 Favored Glycine 0 C--O 1.262 1.883 0 CA-C-O 118.527 -1.152 . . . . 30.61 112.33 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.9 m -140.47 154.09 69.1 Favored Pre-proline 0 N--CA 1.495 1.822 0 C-N-CA 125.797 1.639 . . . . 31.81 109.383 -179.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -82.81 -19.26 6.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 122.544 2.162 . . . . 26.03 112.982 177.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 83.3 p -160.39 166.62 29.01 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-O 122.532 1.158 . . . . 24.91 111.482 177.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -162.79 163.42 26.65 Favored 'General case' 0 N--CA 1.425 -1.704 0 CA-C-N 114.615 -1.175 . . . . 21.19 110.02 176.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' SER . . . . . 0.438 ' HB3' ' HG3' ' A' ' 95' ' ' GLU . 39.5 t -99.1 136.03 39.66 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 124.229 0.956 . . . . 23.08 110.089 173.651 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.6 t -65.02 -11.04 10.88 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 C-N-CA 124.637 1.175 . . . . 24.75 110.607 171.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -77.79 -28.43 50.48 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 118.988 0.813 . . . . 40.68 111.796 170.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.438 ' HG3' ' HB3' ' A' ' 92' ' ' SER . 4.4 mt-10 -71.08 71.64 0.57 Allowed 'General case' 0 CA--C 1.544 0.739 0 O-C-N 120.949 -1.094 . . . . 40.88 109.597 176.788 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -55.73 -50.63 69.84 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.426 1.09 . . . . 26.12 110.478 -175.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.0 ttt-85 -65.33 -41.43 93.95 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-O 122.403 1.097 . . . . 38.46 110.287 -174.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 42.4 tttt -59.5 -46.36 89.03 Favored 'General case' 0 C--O 1.198 -1.653 0 N-CA-C 108.219 -1.03 . . . . 49.91 108.219 -176.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.41 -51.24 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.879 0 CA-C-O 118.762 -0.637 . . . . 24.07 111.201 -179.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -58.26 -36.33 73.09 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 121.388 0.613 . . . . 23.99 110.636 178.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 63.2 m -60.25 -46.47 89.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.152 -0.476 . . . . 31.44 109.934 178.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 29.1 mmt -58.75 -45.86 88.76 Favored 'General case' 0 C--O 1.213 -0.848 0 N-CA-C 108.302 -0.999 . . . . 64.12 108.302 -179.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 79.2 mt -61.17 -49.29 85.24 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.581 0 N-CA-C 108.915 -0.772 . . . . 31.53 108.915 -177.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -69.54 -14.11 62.68 Favored 'General case' 0 N--CA 1.422 -1.841 0 O-C-N 124.705 1.253 . . . . 68.11 110.564 -173.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -80.51 -12.12 59.58 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 119.402 1.001 . . . . 49.52 110.272 171.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -119.56 36.29 4.55 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.809 1.244 . . . . 28.1 109.645 -171.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 78.8 mt -121.63 139.63 53.29 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 124.743 1.217 . . . . 29.29 111.4 175.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 72.7 t -70.99 131.0 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 107.132 -1.433 . . . . 32.58 107.132 169.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 25.9 m . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 107.708 -1.219 . . . . 55.71 107.708 -179.555 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' LEU . . . . . 0.755 HD12 ' H ' ' B' ' 4' ' ' GLU . 3.6 pp . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 108.842 -0.799 . . . . 49.98 108.842 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 59.3 m -64.2 -42.68 96.54 Favored 'General case' 0 C--O 1.221 -0.401 0 O-C-N 124.495 1.122 . . . . 32.63 110.369 -177.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' PHE . . . . . 0.605 ' HB3' ' CD1' ' B' ' 1' ' ' LEU . 47.9 t80 -56.7 -34.6 67.59 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 112.408 0.522 . . . . 25.36 112.408 176.49 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.755 ' H ' HD12 ' B' ' 1' ' ' LEU . 17.5 mt-10 -72.34 -31.33 65.55 Favored 'General case' 0 N--CA 1.419 -2.01 0 O-C-N 120.848 -1.158 . . . . 41.96 108.326 -176.021 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -84.77 -24.93 28.56 Favored 'General case' 0 C--O 1.201 -1.488 0 CA-C-O 118.859 -0.591 . . . . 54.38 111.967 -177.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -69.46 -39.55 77.68 Favored 'General case' 0 C--O 1.209 -1.04 0 CA-C-N 119.655 1.116 . . . . 39.22 109.331 166.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' TRP . . . . . . . . . . . . . 35.7 t-105 -71.9 -33.41 68.31 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 112.635 0.605 . . . . 25.59 112.635 -177.007 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.68 -49.32 73.63 Favored 'General case' 0 C--O 1.193 -1.889 0 N-CA-C 107.796 -1.187 . . . . 32.12 107.796 179.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' B' ' 101' ' ' HOH . 4.3 tt0 -38.87 -49.84 1.68 Allowed 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 126.575 1.95 . . . . 51.76 110.785 167.734 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 18.2 tp -60.23 -37.17 79.51 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 126.736 2.014 . . . . 34.79 111.448 -176.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -71.61 -22.15 61.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 118.909 -0.567 . . . . 53.69 110.39 -175.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.14 -24.89 67.53 Favored 'General case' 0 N--CA 1.522 3.166 0 CA-C-N 118.243 0.474 . . . . 36.15 111.52 -176.187 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.36 -10.86 59.7 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 112.837 0.68 . . . . 29.28 112.837 -179.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 2.23 0 C-N-CA 125.108 1.363 . . . . 26.78 112.753 -167.254 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . 0.515 ' O ' ' HE1' ' A' ' 86' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . 0.635 ' O ' ' HG2' ' A' ' 33' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . 0.507 ' O ' ' NE2' ' B' ' 9' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_