data_6rsn_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 6rsn _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 ' 18' ' ' ARG . . . . . . . . . . . . . 9.5 ttp-105 . . . . . 0 N--CA 1.472 0.673 0 N-CA-C 109.088 -0.708 . . . . 81.95 109.088 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.0 pp -128.26 142.58 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 122.853 1.311 . . . . 58.76 107.505 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.9 m -120.06 147.82 45.46 Favored Pre-proline 0 C--N 1.316 -0.864 0 CA-C-N 114.82 -1.082 . . . . 43.53 110.092 178.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -76.77 132.66 13.31 Favored 'Trans proline' 0 C--O 1.216 -0.58 0 C-N-CA 121.426 1.417 . . . . 42.26 111.39 176.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 86.9 t -128.41 131.25 69.13 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.431 0 N-CA-C 109.09 -0.708 . . . . 29.68 109.09 176.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.1 t -106.36 134.8 46.92 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.294 0 N-CA-C 106.478 -1.675 . . . . 28.18 106.478 171.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -133.37 146.15 51.01 Favored 'General case' 0 C--O 1.25 1.116 0 C-N-CA 117.649 -1.62 . . . . 25.1 111.236 174.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -109.14 129.8 55.48 Favored 'General case' 0 C--N 1.348 0.502 0 C-N-CA 124.411 1.084 . . . . 33.12 108.193 176.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.3 mt -100.45 139.92 35.45 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 116.576 -2.05 . . . . 26.0 108.043 172.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.6 t -122.49 121.95 37.79 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 105.926 -1.879 . . . . 35.2 105.926 -174.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -108.68 -84.52 0.54 Allowed 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 118.766 -1.174 . . . . 74.87 108.704 177.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -78.31 -26.41 46.92 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.329 -0.85 . . . . 90.71 108.737 172.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 157.21 49.16 0.01 OUTLIER Glycine 0 C--N 1.338 0.642 0 N-CA-C 110.249 -1.141 . . . . 102.55 110.249 -175.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER 68.83 43.7 1.19 Allowed 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.031 0.932 . . . . 96.14 111.803 160.945 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mp -60.98 15.13 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 118.138 -0.934 . . . . 73.96 112.429 -173.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 31' ' ' ARG . 25.2 t0 -149.6 155.43 40.27 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 123.123 1.44 . . . . 53.86 113.309 -168.594 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -63.71 154.84 79.13 Favored Pre-proline 0 C--O 1.26 1.622 0 N-CA-C 107.114 -1.439 . . . . 40.16 107.114 176.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -67.52 167.38 20.93 Favored 'Trans proline' 0 N--CA 1.436 -1.907 0 C-N-CA 121.932 1.755 . . . . 29.03 110.53 170.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -113.01 149.17 33.7 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 126.511 2.382 . . . . 37.08 108.682 177.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -116.11 129.09 56.17 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 117.746 -1.121 . . . . 40.12 110.237 171.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.2 pt -133.48 161.53 41.13 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 O-C-N 124.545 1.153 . . . . 27.43 109.169 173.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -104.11 131.0 51.84 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 124.644 1.215 . . . . 54.05 109.232 169.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 81.7 t -113.0 121.0 39.34 Favored Pre-proline 0 C--N 1.343 0.303 0 O-C-N 123.346 0.404 . . . . 37.84 111.524 -174.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -65.65 130.48 25.0 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 120.688 0.925 . . . . 41.06 111.987 171.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.3 mt -81.55 141.36 33.85 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 125.983 1.713 . . . . 60.7 111.127 178.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.8 p -92.27 -39.01 11.75 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.191 -0.913 . . . . 59.64 109.266 174.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.2 t -117.83 148.7 41.85 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-O 121.488 0.661 . . . . 64.54 110.888 173.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.379 3.1 m-70 -90.93 12.17 20.43 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 117.427 -1.709 . . . . 75.47 112.533 -168.292 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASN . . . . . 0.678 ' OD1' ' O ' ' A' ' 301' ' ' HOH 0.274 15.6 m120 -124.17 14.26 9.05 Favored 'General case' 0 C--O 1.25 1.084 0 C-N-CA 116.975 -1.89 . . . . 65.79 112.368 176.384 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 176.07 143.82 4.85 Favored Glycine 0 C--N 1.348 1.224 0 CA-C-O 124.872 2.373 . . . . 48.01 115.336 -167.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.7 tp -100.11 137.21 38.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 111.822 -2.189 . . . . 38.24 109.415 175.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -113.16 155.95 24.07 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 124.392 1.058 . . . . 40.0 108.952 175.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.7 tp -58.9 -36.67 75.07 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 115.798 -2.361 . . . . 28.64 110.334 -177.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -58.36 -32.73 68.84 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-O 118.542 -0.742 . . . . 55.28 110.545 179.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -63.42 -44.94 93.16 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-N 120.233 1.378 . . . . 40.91 110.55 178.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 93.1 t -62.41 -46.19 97.0 Favored 'Isoleucine or valine' 0 C--N 1.355 0.83 0 C-N-CA 125.239 1.415 . . . . 26.86 110.124 177.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.3 mm -65.98 -40.79 88.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 121.555 0.693 . . . . 31.31 110.594 -178.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -57.81 -40.67 80.49 Favored 'General case' 0 C--O 1.255 1.343 0 C-N-CA 118.258 -1.377 . . . . 41.5 113.333 175.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -68.43 -43.72 76.52 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 121.531 -0.73 . . . . 42.23 109.467 179.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.54 -40.51 97.04 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 117.144 -1.822 . . . . 23.02 111.298 177.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -55.5 -41.62 73.32 Favored 'General case' 0 C--O 1.248 1.008 0 O-C-N 120.968 -1.083 . . . . 26.89 109.858 177.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -66.71 -44.56 81.33 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 118.876 -1.129 . . . . 44.28 112.186 179.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.6 mt -76.78 -43.6 36.21 Favored 'General case' 0 C--O 1.253 1.26 0 N-CA-C 114.668 1.358 . . . . 31.29 114.668 -175.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -112.67 -5.76 13.94 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 115.825 -2.036 . . . . 48.09 112.941 -166.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.4 153.89 28.79 Favored Glycine 0 CA--C 1.533 1.218 0 N-CA-C 108.992 -1.643 . . . . 20.4 108.992 179.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -62.4 -23.26 66.74 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 117.963 -1.495 . . . . 43.05 113.852 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.79 3.82 77.58 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 118.074 -2.012 . . . . 22.74 116.748 -177.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' MSE . . . . . . . . . . . . . 2.2 tmt? -91.35 -59.5 2.13 Favored 'General case' 0 C--O 1.265 1.909 0 CA-C-N 118.825 1.313 . . . . 27.27 109.943 -176.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.19 -24.09 65.82 Favored 'General case' 0 C--N 1.359 0.978 0 C-N-CA 117.96 -1.496 . . . . 20.48 111.341 -163.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 12.9 p -73.8 -4.98 38.05 Favored 'General case' 0 C--O 1.275 2.43 0 CA-C-O 115.007 -2.425 . . . . 25.78 110.827 179.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 89.6 mt -82.87 -4.81 58.58 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 120.055 1.298 . . . . 23.7 111.674 176.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -129.54 146.68 51.34 Favored 'General case' 0 C--O 1.246 0.902 0 CA-C-O 121.509 0.671 . . . . 24.59 110.091 -169.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.2 t -94.85 129.74 41.72 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 107.888 -1.152 . . . . 28.76 107.888 167.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -104.62 141.81 35.76 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 119.063 -1.055 . . . . 20.39 112.466 -167.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.5 m -142.7 152.81 42.76 Favored 'General case' 0 C--O 1.244 0.798 0 N-CA-C 106.484 -1.672 . . . . 20.35 106.484 -179.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 96.2 p -112.98 145.67 40.4 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 118.833 -1.147 . . . . 28.51 108.316 170.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -71.96 135.36 46.42 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-O 124.122 1.915 . . . . 39.0 109.716 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.0 tpp85 -143.74 147.22 33.88 Favored 'General case' 0 C--O 1.211 -0.932 0 O-C-N 120.359 -1.463 . . . . 49.54 109.699 -176.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.5 p -63.66 144.02 57.36 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.096 -1.627 . . . . 43.47 111.431 179.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -159.79 123.57 3.7 Favored 'General case' 0 C--N 1.345 0.408 0 N-CA-C 108.508 -0.923 . . . . 40.94 108.508 -178.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 51.74 -126.62 2.4 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 107.92 -1.141 . . . . 58.53 107.92 177.376 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -97.79 15.65 23.08 Favored 'General case' 0 N--CA 1.462 0.125 0 C-N-CA 118.242 -1.383 . . . . 76.47 110.284 -177.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -150.05 -124.81 1.28 Allowed Glycine 0 C--O 1.253 1.299 0 C-N-CA 120.39 -0.91 . . . . 48.56 111.828 172.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -138.45 163.02 32.99 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-N 112.589 -1.805 . . . . 45.21 108.263 -166.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.5 p -142.47 147.31 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 103.452 -2.795 . . . . 31.49 103.452 178.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -86.09 108.87 18.48 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 115.471 -0.786 . . . . 27.51 109.707 170.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -92.62 120.27 32.88 Favored 'General case' 0 C--O 1.202 -1.423 0 CA-C-N 115.053 -0.976 . . . . 48.46 109.042 -173.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.41 133.4 51.26 Favored 'General case' 0 C--O 1.266 1.943 0 O-C-N 120.863 -1.148 . . . . 28.42 110.089 -174.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 34.3 mt -113.75 142.88 45.51 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 115.081 1.511 . . . . 28.53 115.081 178.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.1 m -96.53 160.66 14.28 Favored 'General case' 0 CA--C 1.508 -0.665 0 C-N-CA 126.267 1.827 . . . . 47.23 109.458 162.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.8 -38.32 61.02 Favored 'General case' 0 C--N 1.362 1.142 0 O-C-N 125.823 1.952 . . . . 57.0 110.752 -178.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -84.55 0.06 51.33 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 119.146 -1.022 . . . . 49.51 113.231 -175.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -82.25 146.16 29.63 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 122.883 1.325 . . . . 43.08 113.186 -174.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -79.01 143.72 35.39 Favored 'General case' 0 C--O 1.247 0.972 0 N-CA-C 107.087 -1.449 . . . . 41.28 107.087 173.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.6 mt -109.5 122.99 65.01 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 CA-C-N 114.878 -1.055 . . . . 35.06 109.49 -179.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -86.89 143.26 35.02 Favored Pre-proline 0 C--O 1.237 0.425 0 C-N-CA 119.55 -0.86 . . . . 48.81 111.554 174.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -75.75 162.06 35.71 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.445 2.096 . . . . 61.59 112.761 175.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 99' ' ' GLU . 2.4 p -120.89 133.24 68.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 N-CA-C 107.989 -1.115 . . . . 93.01 107.989 173.479 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 8.4 m80 58.87 -132.05 1.09 Allowed 'General case' 0 C--N 1.341 0.237 0 C-N-CA 123.361 0.664 . . . . 106.94 109.914 -172.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -93.45 80.44 1.04 Allowed Glycine 0 CA--C 1.524 0.616 0 CA-C-O 119.558 -0.579 . . . . 91.15 113.311 -163.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 54.46 28.38 9.54 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 125.48 1.512 . . . . 96.5 110.411 -175.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 95' ' ' VAL . 7.2 tt0 -93.65 123.88 37.28 Favored 'General case' 0 C--O 1.248 0.986 0 O-C-N 124.507 1.129 . . . . 66.4 109.419 -176.584 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -109.54 120.76 43.48 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 126.208 2.193 . . . . 41.56 107.855 -179.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 96.8 t -132.09 123.11 50.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 N-CA-C 106.197 -1.779 . . . . 29.41 106.197 -177.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.1 mt -120.36 166.57 13.36 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 125.538 1.774 . . . . 30.07 107.813 -178.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -134.02 126.45 30.24 Favored 'General case' 0 C--O 1.209 -1.071 0 N-CA-C 105.804 -1.924 . . . . 44.07 105.804 171.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -99.92 123.96 8.09 Favored Glycine 0 C--N 1.346 1.135 0 N-CA-C 109.39 -1.484 . . . . 19.89 109.39 165.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 44.6 m -103.88 125.8 50.55 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 105.669 -1.975 . . . . 25.0 105.669 -175.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.89 129.88 43.67 Favored 'General case' 0 C--O 1.243 0.747 0 C-N-CA 118.368 -1.333 . . . . 32.51 111.184 -175.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 88.0 mt -76.06 132.73 32.56 Favored 'Isoleucine or valine' 0 C--O 1.25 1.107 0 O-C-N 124.579 1.174 . . . . 24.32 109.969 175.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 89.6 mt -111.2 93.04 4.28 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 125.198 1.562 . . . . 29.6 107.155 -172.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 . . . . . 0 C--O 1.261 1.683 0 C-N-CA 116.703 -1.999 . . . . 46.41 107.458 174.643 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . 0.678 ' O ' ' OD1' ' A' ' 46' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.5 ttp-105 . . . . . 0 N--CA 1.472 0.673 0 N-CA-C 109.088 -0.708 . . . . 81.950000000000003 109.088 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . 0.529 HD13 ' HB3' ' A' ' 39' ' ' GLU . 2.0 pp -128.26 142.58 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 122.853 1.311 . . . . 58.759999999999998 107.505 -179.868 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.9 m -120.06 147.82 45.46 Favored Pre-proline 0 C--N 1.316 -0.864 0 CA-C-N 114.82 -1.082 . . . . 43.530000000000001 110.092 178.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -76.77 132.66 13.31 Favored 'Trans proline' 0 C--O 1.216 -0.58 0 C-N-CA 121.426 1.417 . . . . 42.259999999999998 111.39 176.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 86.9 t -128.41 131.25 69.13 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.431 0 N-CA-C 109.09 -0.708 . . . . 29.68 109.09 176.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.1 t -106.36 134.8 46.92 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.294 0 N-CA-C 106.478 -1.675 . . . . 28.18 106.478 171.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -133.37 146.15 51.01 Favored 'General case' 0 C--O 1.25 1.116 0 C-N-CA 117.649 -1.62 . . . . 25.100000000000001 111.236 174.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -109.14 129.8 55.48 Favored 'General case' 0 C--N 1.348 0.502 0 C-N-CA 124.411 1.084 . . . . 33.119999999999997 108.193 176.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.3 mt -100.45 139.92 35.45 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 116.576 -2.05 . . . . 26.0 108.043 172.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' SER . . . . . 0.401 ' HB2' ' HG3' ' A' ' 31' ' ' ARG . 30.6 t -122.49 121.95 37.79 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 105.926 -1.879 . . . . 35.200000000000003 105.926 -174.933 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -108.68 -84.52 0.54 Allowed 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 118.766 -1.174 . . . . 74.870000000000005 108.704 177.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -78.31 -26.41 46.92 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.329 -0.85 . . . . 90.709999999999994 108.737 172.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 157.21 49.16 0.01 OUTLIER Glycine 0 C--N 1.338 0.642 0 N-CA-C 110.249 -1.141 . . . . 102.55 110.249 -175.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ARG . . . . . 0.407 ' C ' ' H ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER 68.83 43.7 1.19 Allowed 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.031 0.932 . . . . 96.140000000000001 111.803 160.945 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mp -60.98 15.13 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 118.138 -0.934 . . . . 73.959999999999994 112.429 -173.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ASP . . . . . 0.407 ' H ' ' C ' ' A' ' 31' ' ' ARG . 25.2 t0 -149.6 155.43 40.27 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 123.123 1.44 . . . . 53.859999999999999 113.309 -168.594 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -63.71 154.84 79.13 Favored Pre-proline 0 C--O 1.26 1.622 0 N-CA-C 107.114 -1.439 . . . . 40.159999999999997 107.114 176.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -67.52 167.38 20.93 Favored 'Trans proline' 0 N--CA 1.436 -1.907 0 C-N-CA 121.932 1.755 . . . . 29.030000000000001 110.53 170.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -113.01 149.17 33.7 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 126.511 2.382 . . . . 37.079999999999998 108.682 177.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -116.11 129.09 56.17 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 117.746 -1.121 . . . . 40.119999999999997 110.237 171.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.2 pt -133.48 161.53 41.13 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 O-C-N 124.545 1.153 . . . . 27.43 109.169 173.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLU . . . . . 0.529 ' HB3' HD13 ' A' ' 19' ' ' ILE . 73.7 mt-10 -104.11 131.0 51.84 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 124.644 1.215 . . . . 54.049999999999997 109.232 169.545 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 81.7 t -113.0 121.0 39.34 Favored Pre-proline 0 C--N 1.343 0.303 0 O-C-N 123.346 0.404 . . . . 37.840000000000003 111.524 -174.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -65.65 130.48 25.0 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 120.688 0.925 . . . . 41.060000000000002 111.987 171.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.3 mt -81.55 141.36 33.85 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 125.983 1.713 . . . . 60.700000000000003 111.127 178.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.8 p -92.27 -39.01 11.75 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.191 -0.913 . . . . 59.640000000000001 109.266 174.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.2 t -117.83 148.7 41.85 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-O 121.488 0.661 . . . . 64.540000000000006 110.888 173.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.379 3.1 m-70 -90.93 12.17 20.43 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 117.427 -1.709 . . . . 75.469999999999999 112.533 -168.292 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASN . . . . . 0.678 ' OD1' ' O ' ' A' ' 301' ' ' HOH 0.274 15.6 m120 -124.17 14.26 9.05 Favored 'General case' 0 C--O 1.25 1.084 0 C-N-CA 116.975 -1.89 . . . . 65.790000000000006 112.368 176.384 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 176.07 143.82 4.85 Favored Glycine 0 C--N 1.348 1.224 0 CA-C-O 124.872 2.373 . . . . 48.009999999999998 115.336 -167.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.7 tp -100.11 137.21 38.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 111.822 -2.189 . . . . 38.240000000000002 109.415 175.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -113.16 155.95 24.07 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 124.392 1.058 . . . . 40.0 108.952 175.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.7 tp -58.9 -36.67 75.07 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 115.798 -2.361 . . . . 28.640000000000001 110.334 -177.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -58.36 -32.73 68.84 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-O 118.542 -0.742 . . . . 55.280000000000001 110.545 179.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -63.42 -44.94 93.16 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-N 120.233 1.378 . . . . 40.909999999999997 110.55 178.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 93.1 t -62.41 -46.19 97.0 Favored 'Isoleucine or valine' 0 C--N 1.355 0.83 0 C-N-CA 125.239 1.415 . . . . 26.859999999999999 110.124 177.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.3 mm -65.98 -40.79 88.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 121.555 0.693 . . . . 31.309999999999999 110.594 -178.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -57.81 -40.67 80.49 Favored 'General case' 0 C--O 1.255 1.343 0 C-N-CA 118.258 -1.377 . . . . 41.5 113.333 175.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -68.43 -43.72 76.52 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 121.531 -0.73 . . . . 42.229999999999997 109.467 179.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.54 -40.51 97.04 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 117.144 -1.822 . . . . 23.02 111.298 177.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -55.5 -41.62 73.32 Favored 'General case' 0 C--O 1.248 1.008 0 O-C-N 120.968 -1.083 . . . . 26.890000000000001 109.858 177.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -66.71 -44.56 81.33 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 118.876 -1.129 . . . . 44.280000000000001 112.186 179.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.6 mt -76.78 -43.6 36.21 Favored 'General case' 0 C--O 1.253 1.26 0 N-CA-C 114.668 1.358 . . . . 31.289999999999999 114.668 -175.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -112.67 -5.76 13.94 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 115.825 -2.036 . . . . 48.090000000000003 112.941 -166.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.4 153.89 28.79 Favored Glycine 0 CA--C 1.533 1.218 0 N-CA-C 108.992 -1.643 . . . . 20.399999999999999 108.992 179.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -62.4 -23.26 66.74 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 117.963 -1.495 . . . . 43.049999999999997 113.852 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.79 3.82 77.58 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 118.074 -2.012 . . . . 22.739999999999998 116.748 -177.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' MSE . . . . . . . . . . . . . 2.2 tmt? -91.35 -59.5 2.13 Favored 'General case' 0 C--O 1.265 1.909 0 CA-C-N 118.825 1.313 . . . . 27.27 109.943 -176.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.19 -24.09 65.82 Favored 'General case' 0 C--N 1.359 0.978 0 C-N-CA 117.96 -1.496 . . . . 20.48 111.341 -163.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 12.9 p -73.8 -4.98 38.05 Favored 'General case' 0 C--O 1.275 2.43 0 CA-C-O 115.007 -2.425 . . . . 25.780000000000001 110.827 179.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 89.6 mt -82.87 -4.81 58.58 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 120.055 1.298 . . . . 23.699999999999999 111.674 176.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -129.54 146.68 51.34 Favored 'General case' 0 C--O 1.246 0.902 0 CA-C-O 121.509 0.671 . . . . 24.59 110.091 -169.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.2 t -94.85 129.74 41.72 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 107.888 -1.152 . . . . 28.760000000000002 107.888 167.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -104.62 141.81 35.76 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 119.063 -1.055 . . . . 20.390000000000001 112.466 -167.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.5 m -142.7 152.81 42.76 Favored 'General case' 0 C--O 1.244 0.798 0 N-CA-C 106.484 -1.672 . . . . 21.41 106.484 -179.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 96.2 p -112.98 145.67 40.4 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 118.833 -1.147 . . . . 28.510000000000002 108.316 170.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -71.96 135.36 46.42 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-O 124.122 1.915 . . . . 39.0 109.716 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.0 tpp85 -143.74 147.22 33.88 Favored 'General case' 0 C--O 1.211 -0.932 0 O-C-N 120.359 -1.463 . . . . 49.539999999999999 109.699 -176.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.5 p -63.66 144.02 57.36 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.096 -1.627 . . . . 43.469999999999999 111.431 179.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -159.79 123.57 3.7 Favored 'General case' 0 C--N 1.345 0.408 0 N-CA-C 108.508 -0.923 . . . . 40.939999999999998 108.508 -178.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 51.74 -126.62 2.4 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 107.92 -1.141 . . . . 58.530000000000001 107.92 177.376 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -97.79 15.65 23.08 Favored 'General case' 0 N--CA 1.462 0.125 0 C-N-CA 118.242 -1.383 . . . . 76.469999999999999 110.284 -177.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -150.05 -124.81 1.28 Allowed Glycine 0 C--O 1.253 1.299 0 C-N-CA 120.39 -0.91 . . . . 48.560000000000002 111.828 172.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -138.45 163.02 32.99 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-N 112.589 -1.805 . . . . 45.210000000000001 108.263 -166.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.5 p -142.47 147.31 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 103.452 -2.795 . . . . 31.489999999999998 103.452 178.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -86.09 108.87 18.48 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 115.471 -0.786 . . . . 27.510000000000002 109.707 170.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -92.62 120.27 32.88 Favored 'General case' 0 C--O 1.202 -1.423 0 CA-C-N 115.053 -0.976 . . . . 48.460000000000001 109.042 -173.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.41 133.4 51.26 Favored 'General case' 0 C--O 1.266 1.943 0 O-C-N 120.863 -1.148 . . . . 28.420000000000002 110.089 -174.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 34.3 mt -113.75 142.88 45.51 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 115.081 1.511 . . . . 28.530000000000001 115.081 178.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.1 m -96.53 160.66 14.28 Favored 'General case' 0 CA--C 1.508 -0.665 0 C-N-CA 126.267 1.827 . . . . 47.229999999999997 109.458 162.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.8 -38.32 61.02 Favored 'General case' 0 C--N 1.362 1.142 0 O-C-N 125.823 1.952 . . . . 57.0 110.752 -178.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -84.55 0.06 51.33 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 119.146 -1.022 . . . . 49.509999999999998 113.231 -175.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -82.25 146.16 29.63 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 122.883 1.325 . . . . 43.079999999999998 113.186 -174.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -79.01 143.72 35.39 Favored 'General case' 0 C--O 1.247 0.972 0 N-CA-C 107.087 -1.449 . . . . 41.280000000000001 107.087 173.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.6 mt -109.5 122.99 65.01 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 CA-C-N 114.878 -1.055 . . . . 35.060000000000002 109.49 -179.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -86.89 143.26 35.02 Favored Pre-proline 0 C--O 1.237 0.425 0 C-N-CA 119.55 -0.86 . . . . 48.810000000000002 111.554 174.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -75.75 162.06 35.71 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.445 2.096 . . . . 61.590000000000003 112.761 175.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' VAL . . . . . 0.572 ' O ' ' HB3' ' A' ' 99' ' ' GLU . 2.4 p -120.89 133.24 68.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 N-CA-C 107.989 -1.115 . . . . 93.010000000000005 107.989 173.479 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 8.4 m80 58.87 -132.05 1.09 Allowed 'General case' 0 C--N 1.341 0.237 0 C-N-CA 123.361 0.664 . . . . 106.94 109.914 -172.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -93.45 80.44 1.04 Allowed Glycine 0 CA--C 1.524 0.616 0 CA-C-O 119.558 -0.579 . . . . 91.150000000000006 113.311 -163.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 54.46 28.38 9.54 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 125.48 1.512 . . . . 96.5 110.411 -175.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLU . . . . . 0.572 ' HB3' ' O ' ' A' ' 95' ' ' VAL . 7.2 tt0 -93.65 123.88 37.28 Favored 'General case' 0 C--O 1.248 0.986 0 O-C-N 124.507 1.129 . . . . 66.400000000000006 109.419 -176.584 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -109.54 120.76 43.48 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 126.208 2.193 . . . . 41.560000000000002 107.855 -179.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 96.8 t -132.09 123.11 50.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 N-CA-C 106.197 -1.779 . . . . 29.41 106.197 -177.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.1 mt -120.36 166.57 13.36 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 125.538 1.774 . . . . 30.07 107.813 -178.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -134.02 126.45 30.24 Favored 'General case' 0 C--O 1.209 -1.071 0 N-CA-C 105.804 -1.924 . . . . 44.07 105.804 171.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -99.92 123.96 8.09 Favored Glycine 0 C--N 1.346 1.135 0 N-CA-C 109.39 -1.484 . . . . 19.890000000000001 109.39 165.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 44.6 m -103.88 125.8 50.55 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 105.669 -1.975 . . . . 25.0 105.669 -175.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.89 129.88 43.67 Favored 'General case' 0 C--O 1.243 0.747 0 C-N-CA 118.368 -1.333 . . . . 32.509999999999998 111.184 -175.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 88.0 mt -76.06 132.73 32.56 Favored 'Isoleucine or valine' 0 C--O 1.25 1.107 0 O-C-N 124.579 1.174 . . . . 24.32 109.969 175.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 89.6 mt -111.2 93.04 4.28 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 125.198 1.562 . . . . 29.600000000000001 107.155 -172.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 . . . . . 0 C--O 1.261 1.683 0 C-N-CA 116.703 -1.999 . . . . 46.409999999999997 107.458 174.643 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . 0.678 ' O ' ' OD1' ' A' ' 46' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.5 ttp-105 . . . . . 0 N--CA 1.472 0.673 0 N-CA-C 109.088 -0.708 . . . . 81.95 109.088 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.529 HD13 ' HB3' ' A' ' 39' ' ' GLU . 2.0 pp -128.26 142.58 43.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 122.853 1.311 . . . . 58.76 107.505 -179.868 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.9 m -120.06 147.82 45.46 Favored Pre-proline 0 C--N 1.316 -0.864 0 CA-C-N 114.82 -1.082 . . . . 43.53 110.092 178.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -76.77 132.66 13.31 Favored 'Trans proline' 0 C--O 1.216 -0.58 0 C-N-CA 121.426 1.417 . . . . 42.26 111.39 176.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 86.9 t -128.41 131.25 69.13 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.431 0 N-CA-C 109.09 -0.708 . . . . 29.68 109.09 176.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.1 t -106.36 134.8 46.92 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.294 0 N-CA-C 106.478 -1.675 . . . . 28.18 106.478 171.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -133.37 146.15 51.01 Favored 'General case' 0 C--O 1.25 1.116 0 C-N-CA 117.649 -1.62 . . . . 25.1 111.236 174.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -109.14 129.8 55.48 Favored 'General case' 0 C--N 1.348 0.502 0 C-N-CA 124.411 1.084 . . . . 33.12 108.193 176.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.3 mt -100.45 139.92 35.45 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 116.576 -2.05 . . . . 26.0 108.043 172.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' SER . . . . . 0.401 ' HB2' ' HG3' ' A' ' 31' ' ' ARG . 30.6 t -122.49 121.95 37.79 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 105.926 -1.879 . . . . 35.2 105.926 -174.933 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -108.68 -84.52 0.54 Allowed 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 118.766 -1.174 . . . . 74.87 108.704 177.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.79 HD22 HD11 ' A' ' 32' ' ' LEU . 29.1 m-80 -78.31 -26.41 46.92 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.329 -0.85 . . . . 90.71 108.737 172.055 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 157.21 49.16 0.01 OUTLIER Glycine 0 C--N 1.338 0.642 0 N-CA-C 110.249 -1.141 . . . . 102.55 110.249 -175.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.407 ' C ' ' H ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER 68.83 43.7 1.19 Allowed 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.031 0.932 . . . . 96.14 111.803 160.945 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.79 HD11 HD22 ' A' ' 29' ' ' ASN . 2.5 mp -60.98 15.13 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 118.138 -0.934 . . . . 73.96 112.429 -173.97 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.407 ' H ' ' C ' ' A' ' 31' ' ' ARG . 25.2 t0 -149.6 155.43 40.27 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 123.123 1.44 . . . . 53.86 113.309 -168.594 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -63.71 154.84 79.13 Favored Pre-proline 0 C--O 1.26 1.622 0 N-CA-C 107.114 -1.439 . . . . 40.16 107.114 176.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -67.52 167.38 20.93 Favored 'Trans proline' 0 N--CA 1.436 -1.907 0 C-N-CA 121.932 1.755 . . . . 29.03 110.53 170.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -113.01 149.17 33.7 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 126.511 2.382 . . . . 37.08 108.682 177.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -116.11 129.09 56.17 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 117.746 -1.121 . . . . 40.12 110.237 171.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.2 pt -133.48 161.53 41.13 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 O-C-N 124.545 1.153 . . . . 27.43 109.169 173.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.529 ' HB3' HD13 ' A' ' 19' ' ' ILE . 73.7 mt-10 -104.11 131.0 51.84 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 124.644 1.215 . . . . 54.05 109.232 169.545 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 81.7 t -113.0 121.0 39.34 Favored Pre-proline 0 C--N 1.343 0.303 0 O-C-N 123.346 0.404 . . . . 37.84 111.524 -174.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -65.65 130.48 25.0 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 120.688 0.925 . . . . 41.06 111.987 171.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.3 mt -81.55 141.36 33.85 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 125.983 1.713 . . . . 60.7 111.127 178.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.8 p -92.27 -39.01 11.75 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.191 -0.913 . . . . 59.64 109.266 174.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.2 t -117.83 148.7 41.85 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-O 121.488 0.661 . . . . 64.54 110.888 173.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . 0.379 3.1 m-70 -90.93 12.17 20.43 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 117.427 -1.709 . . . . 75.47 112.533 -168.292 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.678 ' OD1' ' O ' ' A' ' 301' ' ' HOH 0.274 15.6 m120 -124.17 14.26 9.05 Favored 'General case' 0 C--O 1.25 1.084 0 C-N-CA 116.975 -1.89 . . . . 65.79 112.368 176.384 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 176.07 143.82 4.85 Favored Glycine 0 C--N 1.348 1.224 0 CA-C-O 124.872 2.373 . . . . 48.01 115.336 -167.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.7 tp -100.11 137.21 38.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 111.822 -2.189 . . . . 38.24 109.415 175.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -113.16 155.95 24.07 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 124.392 1.058 . . . . 40.0 108.952 175.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.7 tp -58.9 -36.67 75.07 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 115.798 -2.361 . . . . 28.64 110.334 -177.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -58.36 -32.73 68.84 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-O 118.542 -0.742 . . . . 55.28 110.545 179.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -63.42 -44.94 93.16 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-N 120.233 1.378 . . . . 40.91 110.55 178.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 93.1 t -62.41 -46.19 97.0 Favored 'Isoleucine or valine' 0 C--N 1.355 0.83 0 C-N-CA 125.239 1.415 . . . . 26.86 110.124 177.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.3 mm -65.98 -40.79 88.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 121.555 0.693 . . . . 31.31 110.594 -178.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -57.81 -40.67 80.49 Favored 'General case' 0 C--O 1.255 1.343 0 C-N-CA 118.258 -1.377 . . . . 41.5 113.333 175.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -68.43 -43.72 76.52 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 121.531 -0.73 . . . . 42.23 109.467 179.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.54 -40.51 97.04 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 117.144 -1.822 . . . . 23.02 111.298 177.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -55.5 -41.62 73.32 Favored 'General case' 0 C--O 1.248 1.008 0 O-C-N 120.968 -1.083 . . . . 26.89 109.858 177.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -66.71 -44.56 81.33 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 118.876 -1.129 . . . . 44.28 112.186 179.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.6 mt -76.78 -43.6 36.21 Favored 'General case' 0 C--O 1.253 1.26 0 N-CA-C 114.668 1.358 . . . . 31.29 114.668 -175.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -112.67 -5.76 13.94 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 115.825 -2.036 . . . . 48.09 112.941 -166.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.4 153.89 28.79 Favored Glycine 0 CA--C 1.533 1.218 0 N-CA-C 108.992 -1.643 . . . . 20.4 108.992 179.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -62.4 -23.26 66.74 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 117.963 -1.495 . . . . 43.05 113.852 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -81.79 3.82 77.58 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 118.074 -2.012 . . . . 22.74 116.748 -177.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' MSE . . . . . . . . . . . . . 2.2 tmt? -91.35 -59.5 2.13 Favored 'General case' 0 C--O 1.265 1.909 0 CA-C-N 118.825 1.313 . . . . 27.27 109.943 -176.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.19 -24.09 65.82 Favored 'General case' 0 C--N 1.359 0.978 0 C-N-CA 117.96 -1.496 . . . . 20.48 111.341 -163.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 12.9 p -73.8 -4.98 38.05 Favored 'General case' 0 C--O 1.275 2.43 0 CA-C-O 115.007 -2.425 . . . . 25.78 110.827 179.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 89.6 mt -82.87 -4.81 58.58 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 120.055 1.298 . . . . 23.7 111.674 176.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -129.54 146.68 51.34 Favored 'General case' 0 C--O 1.246 0.902 0 CA-C-O 121.509 0.671 . . . . 24.59 110.091 -169.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.2 t -94.85 129.74 41.72 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 107.888 -1.152 . . . . 28.76 107.888 167.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -104.62 141.81 35.76 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 119.063 -1.055 . . . . 20.39 112.466 -167.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.5 m -142.7 152.81 42.76 Favored 'General case' 0 C--O 1.244 0.798 0 N-CA-C 106.484 -1.672 . . . . 21.41 106.484 -179.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 96.2 p -112.98 145.67 40.4 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 118.833 -1.147 . . . . 28.51 108.316 170.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -71.96 135.36 46.42 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-O 124.122 1.915 . . . . 39.0 109.716 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.0 tpp85 -143.74 147.22 33.88 Favored 'General case' 0 C--O 1.211 -0.932 0 O-C-N 120.359 -1.463 . . . . 49.54 109.699 -176.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.5 p -63.66 144.02 57.36 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.096 -1.627 . . . . 43.47 111.431 179.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -159.79 123.57 3.7 Favored 'General case' 0 C--N 1.345 0.408 0 N-CA-C 108.508 -0.923 . . . . 40.94 108.508 -178.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 51.74 -126.62 2.4 Favored 'General case' 0 C--N 1.347 0.475 0 N-CA-C 107.92 -1.141 . . . . 58.53 107.92 177.376 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -97.79 15.65 23.08 Favored 'General case' 0 N--CA 1.462 0.125 0 C-N-CA 118.242 -1.383 . . . . 76.47 110.284 -177.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -150.05 -124.81 1.28 Allowed Glycine 0 C--O 1.253 1.299 0 C-N-CA 120.39 -0.91 . . . . 48.56 111.828 172.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -138.45 163.02 32.99 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-N 112.589 -1.805 . . . . 45.21 108.263 -166.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.5 p -142.47 147.31 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 103.452 -2.795 . . . . 31.49 103.452 178.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -86.09 108.87 18.48 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 115.471 -0.786 . . . . 27.51 109.707 170.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -92.62 120.27 32.88 Favored 'General case' 0 C--O 1.202 -1.423 0 CA-C-N 115.053 -0.976 . . . . 48.46 109.042 -173.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.41 133.4 51.26 Favored 'General case' 0 C--O 1.266 1.943 0 O-C-N 120.863 -1.148 . . . . 28.42 110.089 -174.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 34.3 mt -113.75 142.88 45.51 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 115.081 1.511 . . . . 28.53 115.081 178.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.1 m -96.53 160.66 14.28 Favored 'General case' 0 CA--C 1.508 -0.665 0 C-N-CA 126.267 1.827 . . . . 47.23 109.458 162.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -52.8 -38.32 61.02 Favored 'General case' 0 C--N 1.362 1.142 0 O-C-N 125.823 1.952 . . . . 57.0 110.752 -178.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.8 pm0 -84.55 0.06 51.33 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 119.146 -1.022 . . . . 49.51 113.231 -175.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -82.25 146.16 29.63 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 122.883 1.325 . . . . 43.08 113.186 -174.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -79.01 143.72 35.39 Favored 'General case' 0 C--O 1.247 0.972 0 N-CA-C 107.087 -1.449 . . . . 41.28 107.087 173.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.6 mt -109.5 122.99 65.01 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 CA-C-N 114.878 -1.055 . . . . 35.06 109.49 -179.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -86.89 143.26 35.02 Favored Pre-proline 0 C--O 1.237 0.425 0 C-N-CA 119.55 -0.86 . . . . 48.81 111.554 174.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -75.75 162.06 35.71 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.445 2.096 . . . . 61.59 112.761 175.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.572 ' O ' ' HB3' ' A' ' 99' ' ' GLU . 2.4 p -120.89 133.24 68.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 N-CA-C 107.989 -1.115 . . . . 93.01 107.989 173.479 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 8.4 m80 58.87 -132.05 1.09 Allowed 'General case' 0 C--N 1.341 0.237 0 C-N-CA 123.361 0.664 . . . . 106.94 109.914 -172.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -93.45 80.44 1.04 Allowed Glycine 0 CA--C 1.524 0.616 0 CA-C-O 119.558 -0.579 . . . . 91.15 113.311 -163.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 54.46 28.38 9.54 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 125.48 1.512 . . . . 96.5 110.411 -175.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.572 ' HB3' ' O ' ' A' ' 95' ' ' VAL . 7.2 tt0 -93.65 123.88 37.28 Favored 'General case' 0 C--O 1.248 0.986 0 O-C-N 124.507 1.129 . . . . 66.4 109.419 -176.584 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -109.54 120.76 43.48 Favored 'General case' 0 C--O 1.24 0.591 0 O-C-N 126.208 2.193 . . . . 41.56 107.855 -179.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 96.8 t -132.09 123.11 50.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 N-CA-C 106.197 -1.779 . . . . 29.41 106.197 -177.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.1 mt -120.36 166.57 13.36 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 125.538 1.774 . . . . 30.07 107.813 -178.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -134.02 126.45 30.24 Favored 'General case' 0 C--O 1.209 -1.071 0 N-CA-C 105.804 -1.924 . . . . 44.07 105.804 171.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -99.92 123.96 8.09 Favored Glycine 0 C--N 1.346 1.135 0 N-CA-C 109.39 -1.484 . . . . 19.89 109.39 165.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 44.6 m -103.88 125.8 50.55 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 105.669 -1.975 . . . . 25.0 105.669 -175.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.89 129.88 43.67 Favored 'General case' 0 C--O 1.243 0.747 0 C-N-CA 118.368 -1.333 . . . . 32.51 111.184 -175.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 88.0 mt -76.06 132.73 32.56 Favored 'Isoleucine or valine' 0 C--O 1.25 1.107 0 O-C-N 124.579 1.174 . . . . 24.32 109.969 175.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 89.6 mt -111.2 93.04 4.28 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 125.198 1.562 . . . . 29.6 107.155 -172.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 . . . . . 0 C--O 1.261 1.683 0 C-N-CA 116.703 -1.999 . . . . 46.41 107.458 174.643 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.678 ' O ' ' OD1' ' A' ' 46' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_