data_6psh_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 6psh _Structure_validation_residue.Date_analyzed 2020-06-19 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' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 121.228 0.537 . . . . 104.95 111.236 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.2 m -128.69 105.24 12.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 N-CA-C 106.801 -1.555 . . . . 114.53 106.801 -177.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -62.27 102.59 0.32 Allowed Pre-proline 0 C--O 1.239 0.508 0 C-N-CA 124.18 0.992 . . . . 103.18 111.503 -173.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -72.62 -2.02 11.19 Favored 'Trans proline' 0 CA--C 1.516 -0.423 0 C-N-CA 120.136 0.557 . . . . 100.14 113.407 179.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -101.86 -42.06 6.28 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 123.396 0.678 . . . . 111.82 112.519 -178.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -65.35 -29.91 70.69 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.938 -0.305 . . . . 80.64 111.259 170.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -65.32 -53.81 38.27 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 120.748 -0.381 . . . . 94.08 111.147 -178.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -66.92 -24.66 66.11 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.499 -0.88 . . . . 91.47 111.423 179.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -63.65 -46.58 84.98 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 117.977 0.353 . . . . 51.74 110.874 170.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.8 tpt -69.67 -46.13 66.77 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.82 0.343 . . . . 47.32 111.038 -178.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -52.59 -50.9 62.11 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.542 -0.463 . . . . 91.3 111.124 179.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.7 t -61.42 -41.18 96.76 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.401 -0.52 . . . . 45.0 111.306 176.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.3 -39.24 94.28 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 119.462 -1.352 . . . . 32.91 112.555 179.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.4 mt -67.79 -44.16 85.78 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 C-N-CA 119.589 -0.844 . . . . 57.05 110.397 178.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -59.72 -43.4 94.19 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 121.994 -0.442 . . . . 73.22 111.772 -179.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -71.41 -33.68 69.68 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 119.43 -0.908 . . . . 51.41 111.427 -176.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.4 t -67.01 -39.16 82.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 C-N-CA 119.109 -1.036 . . . . 48.3 110.034 173.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -57.09 -51.56 68.8 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.715 -0.794 . . . . 61.32 110.719 174.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 40.3 mtt -58.89 -41.44 87.2 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 122.126 -0.359 . . . . 51.35 111.898 178.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mp -67.73 -33.81 75.61 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.08 -0.648 . . . . 58.3 111.289 -175.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.9 m-30 -83.44 2.0 38.78 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.403 0.89 . . . . 71.11 113.403 -178.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.86 -52.23 66.33 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 118.406 0.548 . . . . 59.71 111.294 -174.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -62.78 -34.18 76.71 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.029 -0.669 . . . . 71.03 112.015 -174.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -70.5 -43.56 69.45 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.418 -0.513 . . . . 71.56 112.082 177.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.6 m -66.94 -41.48 86.89 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 119.319 -0.952 . . . . 52.41 110.514 -177.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 56.9 t -62.2 -50.16 81.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.137 0.494 . . . . 45.52 110.177 175.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -57.46 -48.95 77.83 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.116 -0.634 . . . . 81.38 110.815 -177.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.0 p -75.75 -23.75 56.04 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 120.096 -0.641 . . . . 72.39 111.9 -174.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.7 m -72.0 -46.52 56.91 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 121.951 -0.468 . . . . 45.8 110.907 172.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -53.14 -53.28 52.85 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.084 0.468 . . . . 80.01 110.707 173.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -67.28 -39.04 85.97 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 120.562 -0.455 . . . . 98.0 111.735 -173.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -55.49 -52.28 64.17 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 119.06 -1.056 . . . . 45.33 110.823 175.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -62.92 -40.4 97.51 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.727 -0.789 . . . . 64.29 110.914 -179.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.9 m -64.77 -50.98 64.68 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 120.173 -0.611 . . . . 50.93 110.842 179.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -50.71 -45.23 58.31 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.377 -0.374 . . . . 51.66 111.397 177.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 88.1 mmm -75.32 -33.73 61.17 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.266 -0.974 . . . . 40.91 112.233 -175.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ARG . . . . . 0.43 ' NH1' ' O ' ' A' ' 301' ' ' HOH . 4.1 ttt-85 -71.94 -38.02 69.91 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 118.98 -1.088 . . . . 92.1 111.631 174.846 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.7 m -62.75 -52.16 64.3 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 121.0 -0.28 . . . . 64.81 111.28 176.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 61.7 p -66.74 -25.3 66.44 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 119.44 -0.904 . . . . 59.42 112.161 -177.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -71.42 -45.64 62.17 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.735 -0.786 . . . . 72.12 111.602 172.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.18 -31.45 68.93 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.425 -0.51 . . . . 91.03 111.514 -175.267 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -79.93 -6.4 57.41 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 113.223 0.823 . . . . 67.38 113.223 -179.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -172.67 71.13 0.42 Allowed Pre-proline 0 C--O 1.239 0.503 0 C-N-CA 123.611 0.765 . . . . 83.42 110.172 179.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -67.82 134.84 33.58 Favored 'Trans proline' 0 C--N 1.332 -0.32 0 CA-C-N 118.7 0.571 . . . . 79.99 112.944 -171.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 25.9 p -65.64 156.48 32.71 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.285 -0.871 . . . . 78.88 110.086 166.371 67.179 107.942 89.824 107.545 2.042 104.037 -45.259 -74.862 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.1 t -115.67 -53.81 2.56 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.258 -0.883 . . . . 89.38 113.057 -179.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.8 p -97.24 168.48 10.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.995 0.902 . . . . 79.08 110.922 -174.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -57.16 -53.03 62.67 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 114.903 -1.044 . . . . 79.39 111.032 177.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -52.4 -49.21 64.93 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 120.572 -0.451 . . . . 68.95 111.137 -179.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -71.5 -32.92 68.77 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 119.692 -0.803 . . . . 90.45 111.509 -177.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 57.1 m -66.83 -49.32 66.11 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 119.789 -0.764 . . . . 74.74 111.151 178.231 -74.862 -45.259 89.824 104.037 2.042 107.545 107.942 67.179 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.9 mp -59.34 -44.68 92.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 C-N-CA 120.187 -0.605 . . . . 67.7 110.202 175.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -68.79 -44.43 73.63 Favored 'General case' 0 C--O 1.238 0.472 0 O-C-N 122.009 -0.432 . . . . 80.9 111.518 -174.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ARG . . . . . 0.626 ' NH2' ' OE1' ' A' ' 81' ' ' GLU . 9.4 tpt180 -63.25 -38.63 91.92 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 119.253 -0.979 . . . . 88.74 111.233 175.664 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.3 -42.48 56.26 Favored Glycine 0 C--N 1.338 0.663 0 C-N-CA 120.42 -0.895 . . . . 52.13 112.503 172.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.06 -40.96 71.34 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.066 -0.654 . . . . 56.96 111.581 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLU . . . . . 0.626 ' OE1' ' NH2' ' A' ' 78' ' ' ARG . 2.6 mt-10 -63.88 -44.29 93.47 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.064 0.459 . . . . 112.2 111.116 -178.889 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 31.8 mmt -74.31 -24.55 59.24 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 118.68 -1.208 . . . . 59.68 112.197 -178.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.79 -43.76 90.57 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.217 -0.593 . . . . 57.55 111.093 167.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -67.06 -39.17 86.83 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 119.654 -0.819 . . . . 76.32 111.085 178.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 m -66.53 -42.05 87.84 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.235 -0.586 . . . . 68.69 111.006 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -58.49 -38.98 78.77 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.834 -0.746 . . . . 65.0 111.004 173.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.0 -49.5 69.99 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 120.618 -0.433 . . . . 75.72 110.775 -179.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.5 ttp85 -56.37 -37.73 70.47 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 120.589 -0.444 . . . . 86.58 112.079 177.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 63.0 mt -72.17 -11.57 15.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 120.716 -0.393 . . . . 84.72 111.883 174.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.9 mmt -103.76 -17.4 15.1 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 113.214 0.82 . . . . 103.0 113.214 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -85.21 -28.88 25.12 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 118.571 0.623 . . . . 111.35 111.753 168.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.9 mm -70.37 136.33 26.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 N-CA-C 107.254 -1.387 . . . . 103.96 107.254 150.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -100.7 61.44 1.0 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.809 0.814 . . . . 135.15 111.892 -161.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.951 -0.568 . . . . 118.31 110.087 175.842 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . 0.43 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 121.228 0.537 . . . . 104.95 111.236 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.2 m -128.69 105.24 12.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 N-CA-C 106.801 -1.555 . . . . 114.53 106.801 -177.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -62.27 102.59 0.32 Allowed Pre-proline 0 C--O 1.239 0.508 0 C-N-CA 124.18 0.992 . . . . 103.18 111.503 -173.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -72.62 -2.02 11.19 Favored 'Trans proline' 0 CA--C 1.516 -0.423 0 C-N-CA 120.136 0.557 . . . . 100.14 113.407 179.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -101.86 -42.06 6.28 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 123.396 0.678 . . . . 111.82 112.519 -178.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -65.35 -29.91 70.69 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.938 -0.305 . . . . 80.64 111.259 170.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -65.32 -53.81 38.27 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 120.748 -0.381 . . . . 94.08 111.147 -178.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -66.92 -24.66 66.11 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.499 -0.88 . . . . 91.47 111.423 179.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -63.65 -46.58 84.98 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 117.977 0.353 . . . . 51.74 110.874 170.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.8 tpt -69.67 -46.13 66.77 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.82 0.343 . . . . 47.32 111.038 -178.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -52.59 -50.9 62.11 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.542 -0.463 . . . . 91.3 111.124 179.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.7 t -61.42 -41.18 96.76 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.401 -0.52 . . . . 45.0 111.306 176.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.3 -39.24 94.28 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 119.462 -1.352 . . . . 32.91 112.555 179.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.4 mt -67.79 -44.16 85.78 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 C-N-CA 119.589 -0.844 . . . . 57.05 110.397 178.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -59.72 -43.4 94.19 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 121.994 -0.442 . . . . 73.22 111.772 -179.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -71.41 -33.68 69.68 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 119.43 -0.908 . . . . 51.41 111.427 -176.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.4 t -67.01 -39.16 82.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 C-N-CA 119.109 -1.036 . . . . 48.3 110.034 173.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -57.09 -51.56 68.8 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.715 -0.794 . . . . 61.32 110.719 174.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 40.3 mtt -58.89 -41.44 87.2 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 122.126 -0.359 . . . . 51.35 111.898 178.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mp -67.73 -33.81 75.61 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.08 -0.648 . . . . 58.3 111.289 -175.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.9 m-30 -83.44 2.0 38.78 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.403 0.89 . . . . 71.11 113.403 -178.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.86 -52.23 66.33 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 118.406 0.548 . . . . 59.71 111.294 -174.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -62.78 -34.18 76.71 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.029 -0.669 . . . . 71.03 112.015 -174.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -70.5 -43.56 69.45 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.418 -0.513 . . . . 71.56 112.082 177.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.6 m -66.94 -41.48 86.89 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 119.319 -0.952 . . . . 52.41 110.514 -177.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 56.9 t -62.2 -50.16 81.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.137 0.494 . . . . 45.52 110.177 175.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . 0.401 ' HG2' ' OE1' ' A' ' 55' ' ' GLN . 27.6 tt0 -57.46 -48.95 77.83 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.116 -0.634 . . . . 81.38 110.815 -177.13 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.0 p -75.75 -23.75 56.04 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 120.096 -0.641 . . . . 72.39 111.9 -174.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.7 m -72.0 -46.52 56.91 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 121.951 -0.468 . . . . 45.8 110.907 172.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -53.14 -53.28 52.85 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.084 0.468 . . . . 80.01 110.707 173.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLN . . . . . 0.401 ' OE1' ' HG2' ' A' ' 51' ' ' GLU . 26.7 mt-30 -67.28 -39.04 85.97 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 120.562 -0.455 . . . . 98.0 111.735 -173.292 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -55.49 -52.28 64.17 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 119.06 -1.056 . . . . 45.33 110.823 175.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -62.92 -40.4 97.51 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.727 -0.789 . . . . 64.29 110.914 -179.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.9 m -64.77 -50.98 64.68 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 120.173 -0.611 . . . . 50.93 110.842 179.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -50.71 -45.23 58.31 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.377 -0.374 . . . . 51.66 111.397 177.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 88.1 mmm -75.32 -33.73 61.17 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.266 -0.974 . . . . 40.91 112.233 -175.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ARG . . . . . 0.43 ' NH1' ' O ' ' A' ' 301' ' ' HOH . 4.1 ttt-85 -71.94 -38.02 69.91 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 118.98 -1.088 . . . . 92.1 111.631 174.846 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.7 m -62.75 -52.16 64.3 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 121.0 -0.28 . . . . 64.81 111.28 176.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 61.7 p -66.74 -25.3 66.44 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 119.44 -0.904 . . . . 59.42 112.161 -177.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -71.42 -45.64 62.17 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.735 -0.786 . . . . 72.12 111.602 172.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.18 -31.45 68.93 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.425 -0.51 . . . . 91.03 111.514 -175.267 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -79.93 -6.4 57.41 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 113.223 0.823 . . . . 67.38 113.223 -179.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -172.67 71.13 0.42 Allowed Pre-proline 0 C--O 1.239 0.503 0 C-N-CA 123.611 0.765 . . . . 83.42 110.172 179.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -67.82 134.84 33.58 Favored 'Trans proline' 0 C--N 1.332 -0.32 0 CA-C-N 118.7 0.571 . . . . 79.99 112.944 -171.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 25.9 p -65.64 156.48 32.71 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.285 -0.871 . . . . 78.88 110.086 166.371 67.179 107.942 89.824 107.545 2.042 104.037 -45.259 -74.862 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.1 t -115.67 -53.81 2.56 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.258 -0.883 . . . . 89.38 113.057 -179.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.8 p -97.24 168.48 10.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.995 0.902 . . . . 79.08 110.922 -174.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -57.16 -53.03 62.67 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 114.903 -1.044 . . . . 79.39 111.032 177.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -52.4 -49.21 64.93 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 120.572 -0.451 . . . . 68.95 111.137 -179.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -71.5 -32.92 68.77 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 119.692 -0.803 . . . . 90.45 111.509 -177.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 57.1 m -66.83 -49.32 66.11 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 119.789 -0.764 . . . . 74.74 111.151 178.231 -74.862 -45.259 89.824 104.037 2.042 107.545 107.942 67.179 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.9 mp -59.34 -44.68 92.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 C-N-CA 120.187 -0.605 . . . . 67.7 110.202 175.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -68.79 -44.43 73.63 Favored 'General case' 0 C--O 1.238 0.472 0 O-C-N 122.009 -0.432 . . . . 80.9 111.518 -174.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ARG . . . . . 0.626 ' NH2' ' OE1' ' A' ' 81' ' ' GLU . 9.4 tpt180 -63.25 -38.63 91.92 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 119.253 -0.979 . . . . 88.74 111.233 175.664 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.3 -42.48 56.26 Favored Glycine 0 C--N 1.338 0.663 0 C-N-CA 120.42 -0.895 . . . . 52.13 112.503 172.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.06 -40.96 71.34 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.066 -0.654 . . . . 56.96 111.581 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLU . . . . . 0.626 ' OE1' ' NH2' ' A' ' 78' ' ' ARG . 2.6 mt-10 -63.88 -44.29 93.47 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.064 0.459 . . . . 112.2 111.116 -178.889 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 31.8 mmt -74.31 -24.55 59.24 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 118.68 -1.208 . . . . 59.68 112.197 -178.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.79 -43.76 90.57 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.217 -0.593 . . . . 57.55 111.093 167.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -67.06 -39.17 86.83 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 119.654 -0.819 . . . . 76.32 111.085 178.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 m -66.53 -42.05 87.84 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.235 -0.586 . . . . 68.69 111.006 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -58.49 -38.98 78.77 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.834 -0.746 . . . . 65.0 111.004 173.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.0 -49.5 69.99 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 120.618 -0.433 . . . . 75.72 110.775 -179.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.5 ttp85 -56.37 -37.73 70.47 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 120.589 -0.444 . . . . 86.58 112.079 177.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 63.0 mt -72.17 -11.57 15.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 120.716 -0.393 . . . . 84.72 111.883 174.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.9 mmt -103.76 -17.4 15.1 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 113.214 0.82 . . . . 103.0 113.214 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -85.21 -28.88 25.12 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 118.571 0.623 . . . . 111.35 111.753 168.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.9 mm -70.37 136.33 26.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 N-CA-C 107.254 -1.387 . . . . 103.96 107.254 150.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -100.7 61.44 1.0 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.809 0.814 . . . . 135.15 111.892 -161.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.951 -0.568 . . . . 118.31 110.087 175.842 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . 0.43 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 121.228 0.537 . . . . 104.95 111.236 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.2 m -128.69 105.24 12.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 N-CA-C 106.801 -1.555 . . . . 114.53 106.801 -177.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -62.27 102.59 0.32 Allowed Pre-proline 0 C--O 1.239 0.508 0 C-N-CA 124.18 0.992 . . . . 103.18 111.503 -173.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -72.62 -2.02 11.19 Favored 'Trans proline' 0 CA--C 1.516 -0.423 0 C-N-CA 120.136 0.557 . . . . 100.14 113.407 179.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -101.86 -42.06 6.28 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 123.396 0.678 . . . . 111.82 112.519 -178.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -65.35 -29.91 70.69 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.938 -0.305 . . . . 80.64 111.259 170.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -65.32 -53.81 38.27 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 120.748 -0.381 . . . . 94.08 111.147 -178.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -66.92 -24.66 66.11 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.499 -0.88 . . . . 91.47 111.423 179.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -63.65 -46.58 84.98 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 117.977 0.353 . . . . 51.74 110.874 170.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.8 tpt -69.67 -46.13 66.77 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.82 0.343 . . . . 47.32 111.038 -178.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -52.59 -50.9 62.11 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.542 -0.463 . . . . 91.3 111.124 179.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.7 t -61.42 -41.18 96.76 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.401 -0.52 . . . . 45.0 111.306 176.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.3 -39.24 94.28 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 119.462 -1.352 . . . . 32.91 112.555 179.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.4 mt -67.79 -44.16 85.78 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 C-N-CA 119.589 -0.844 . . . . 57.05 110.397 178.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -59.72 -43.4 94.19 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 121.994 -0.442 . . . . 73.22 111.772 -179.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -71.41 -33.68 69.68 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 119.43 -0.908 . . . . 51.41 111.427 -176.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.4 t -67.01 -39.16 82.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 C-N-CA 119.109 -1.036 . . . . 48.3 110.034 173.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -57.09 -51.56 68.8 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.715 -0.794 . . . . 61.32 110.719 174.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 40.3 mtt -58.89 -41.44 87.2 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 122.126 -0.359 . . . . 51.35 111.898 178.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 mp -67.73 -33.81 75.61 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.08 -0.648 . . . . 58.3 111.289 -175.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.9 m-30 -83.44 2.0 38.78 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.403 0.89 . . . . 71.11 113.403 -178.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -57.86 -52.23 66.33 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 118.406 0.548 . . . . 59.71 111.294 -174.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -62.78 -34.18 76.71 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.029 -0.669 . . . . 71.03 112.015 -174.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -70.5 -43.56 69.45 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.418 -0.513 . . . . 71.56 112.082 177.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.6 m -66.94 -41.48 86.89 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 119.319 -0.952 . . . . 52.41 110.514 -177.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 56.9 t -62.2 -50.16 81.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.137 0.494 . . . . 45.52 110.177 175.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.551 ' HG2' ' NE2' ' A' ' 55' ' ' GLN . 27.6 tt0 -57.46 -48.95 77.83 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.116 -0.634 . . . . 81.38 110.815 -177.13 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.0 p -75.75 -23.75 56.04 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 120.096 -0.641 . . . . 72.39 111.9 -174.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 28.7 m -72.0 -46.52 56.91 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 121.951 -0.468 . . . . 45.8 110.907 172.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -53.14 -53.28 52.85 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.084 0.468 . . . . 80.01 110.707 173.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.551 ' NE2' ' HG2' ' A' ' 51' ' ' GLU . 36.1 mt-30 -67.28 -39.04 85.97 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 120.562 -0.455 . . . . 98.0 111.735 -173.292 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -55.49 -52.28 64.17 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 119.06 -1.056 . . . . 45.33 110.823 175.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -62.92 -40.4 97.51 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.727 -0.789 . . . . 64.29 110.914 -179.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.9 m -64.77 -50.98 64.68 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 120.173 -0.611 . . . . 50.93 110.842 179.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -50.71 -45.23 58.31 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.377 -0.374 . . . . 51.66 111.397 177.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 88.1 mmm -75.32 -33.73 61.17 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.266 -0.974 . . . . 40.91 112.233 -175.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.43 ' NH1' ' O ' ' A' ' 301' ' ' HOH . 4.1 ttt-85 -71.94 -38.02 69.91 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 118.98 -1.088 . . . . 92.1 111.631 174.846 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.7 m -62.75 -52.16 64.3 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 121.0 -0.28 . . . . 64.81 111.28 176.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 61.7 p -66.74 -25.3 66.44 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 119.44 -0.904 . . . . 59.42 112.161 -177.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -71.42 -45.64 62.17 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.735 -0.786 . . . . 72.12 111.602 172.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.18 -31.45 68.93 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.425 -0.51 . . . . 91.03 111.514 -175.267 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -79.93 -6.4 57.41 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 113.223 0.823 . . . . 67.38 113.223 -179.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -172.67 71.13 0.42 Allowed Pre-proline 0 C--O 1.239 0.503 0 C-N-CA 123.611 0.765 . . . . 83.42 110.172 179.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -67.82 134.84 33.58 Favored 'Trans proline' 0 C--N 1.332 -0.32 0 CA-C-N 118.7 0.571 . . . . 79.99 112.944 -171.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 25.9 p -65.64 156.48 32.71 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.285 -0.871 . . . . 78.88 110.086 166.371 67.179 107.942 89.824 107.545 2.042 104.037 -45.259 -74.862 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.1 t -115.67 -53.81 2.56 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.258 -0.883 . . . . 89.38 113.057 -179.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.8 p -97.24 168.48 10.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.995 0.902 . . . . 79.08 110.922 -174.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -57.16 -53.03 62.67 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 114.903 -1.044 . . . . 79.39 111.032 177.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -52.4 -49.21 64.93 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 120.572 -0.451 . . . . 68.95 111.137 -179.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -71.5 -32.92 68.77 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 119.692 -0.803 . . . . 90.45 111.509 -177.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 57.1 m -66.83 -49.32 66.11 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 119.789 -0.764 . . . . 74.74 111.151 178.231 -74.862 -45.259 89.824 104.037 2.042 107.545 107.942 67.179 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.9 mp -59.34 -44.68 92.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 C-N-CA 120.187 -0.605 . . . . 67.7 110.202 175.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -68.79 -44.43 73.63 Favored 'General case' 0 C--O 1.238 0.472 0 O-C-N 122.009 -0.432 . . . . 80.9 111.518 -174.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.626 ' NH2' ' OE1' ' A' ' 81' ' ' GLU . 9.4 tpt180 -63.25 -38.63 91.92 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 119.253 -0.979 . . . . 88.74 111.233 175.664 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.3 -42.48 56.26 Favored Glycine 0 C--N 1.338 0.663 0 C-N-CA 120.42 -0.895 . . . . 52.13 112.503 172.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.06 -40.96 71.34 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.066 -0.654 . . . . 56.96 111.581 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.626 ' OE1' ' NH2' ' A' ' 78' ' ' ARG . 2.6 mt-10 -63.88 -44.29 93.47 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.064 0.459 . . . . 112.2 111.116 -178.889 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 31.8 mmt -74.31 -24.55 59.24 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 118.68 -1.208 . . . . 59.68 112.197 -178.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.79 -43.76 90.57 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.217 -0.593 . . . . 57.55 111.093 167.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -67.06 -39.17 86.83 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 119.654 -0.819 . . . . 76.32 111.085 178.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 m -66.53 -42.05 87.84 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.235 -0.586 . . . . 68.69 111.006 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -58.49 -38.98 78.77 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.834 -0.746 . . . . 65.0 111.004 173.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.0 -49.5 69.99 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 120.618 -0.433 . . . . 75.72 110.775 -179.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.5 ttp85 -56.37 -37.73 70.47 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 120.589 -0.444 . . . . 86.58 112.079 177.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 63.0 mt -72.17 -11.57 15.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 120.716 -0.393 . . . . 84.72 111.883 174.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 2.9 mmt -103.76 -17.4 15.1 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 113.214 0.82 . . . . 103.0 113.214 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -85.21 -28.88 25.12 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 118.571 0.623 . . . . 111.35 111.753 168.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.9 mm -70.37 136.33 26.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 N-CA-C 107.254 -1.387 . . . . 103.96 107.254 150.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -100.7 61.44 1.0 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.809 0.814 . . . . 135.15 111.892 -161.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.951 -0.568 . . . . 118.31 110.087 175.842 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.43 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 stop_ save_