data_6i6b_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 6i6b _Structure_validation_residue.Date_analyzed 2019-02-22 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 tpt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.68 0.276 . . . . 67.93 111.035 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -129.35 178.95 6.07 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.163 -0.68 . . . . 68.32 109.163 178.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.4 tt -76.24 -25.68 16.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 CA-C-N 115.748 -0.66 . . . . 39.99 111.705 -172.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -84.37 -32.73 24.04 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 121.455 -0.778 . . . . 40.07 112.122 -175.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.8 ttt85 -69.21 -33.77 73.85 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.491 -0.884 . . . . 63.67 110.795 166.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.27 -57.93 8.83 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.942 0.401 . . . . 41.2 111.018 176.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.9 p -66.82 -31.67 72.45 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.456 -0.498 . . . . 29.67 111.839 -179.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.51 -39.86 97.19 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 119.983 -1.103 . . . . 27.0 112.42 176.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -67.64 -39.74 84.63 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.334 -0.546 . . . . 45.18 111.075 175.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 71.5 mt -65.87 -39.0 90.29 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.354 -0.539 . . . . 24.22 111.099 176.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.2 -40.58 96.37 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.325 -0.55 . . . . 26.45 110.85 173.482 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -60.31 -39.4 86.87 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.752 -0.379 . . . . 28.29 110.945 172.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.7 tp -70.24 -39.34 75.09 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.39 -0.524 . . . . 26.69 111.383 179.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.85 -41.51 96.0 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.464 -0.494 . . . . 20.59 111.412 -177.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.22 95.02 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.421 -0.511 . . . . 20.53 111.317 179.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.13 -41.44 92.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 120.72 -0.392 . . . . 21.92 110.493 179.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.6 mm -65.72 -39.14 84.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 O-C-N 121.952 -0.468 . . . . 21.23 110.587 177.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.4 mt -61.46 -45.81 97.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-O 121.094 0.474 . . . . 22.82 110.309 -179.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.8 tp -68.01 -39.92 83.08 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.304 -0.559 . . . . 21.39 111.265 179.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.1 tp -66.84 -40.65 88.0 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.349 -0.54 . . . . 26.65 111.309 179.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.8 mt -73.92 -33.46 63.97 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.138 -0.625 . . . . 35.84 111.781 178.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -65.55 -44.41 86.89 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.425 -0.51 . . . . 36.9 111.025 178.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.7 mt -64.05 -37.78 80.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-O 121.04 0.448 . . . . 20.66 110.447 177.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -69.34 -46.42 67.1 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 121.859 -0.526 . . . . 32.86 111.419 -176.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.28 -45.86 53.14 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.164 -0.614 . . . . 53.13 111.565 -177.393 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.8 p -69.54 -9.75 55.22 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 112.656 0.613 . . . . 28.79 112.656 178.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ARG . . . . . 0.531 ' NH2' ' O ' ' A' ' 406' ' ' HOH . 7.8 mmm180 53.2 37.08 24.21 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.702 0.763 . . . . 35.16 110.48 -176.215 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 t -152.95 140.31 19.59 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.744 -0.662 . . . . 30.06 109.709 -169.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.2 p -125.25 23.8 7.55 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.715 -0.675 . . . . 31.31 111.01 170.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . 0.466 ' O ' ' OG1' ' A' ' 146' ' ' THR . . . -62.16 136.35 57.9 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.268 0.556 . . . . 30.57 110.609 -178.95 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.48 -9.2 71.64 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-O 119.194 -0.781 . . . . 27.26 114.879 -177.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 42.3 mm -94.16 135.81 27.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-N 118.259 1.03 . . . . 30.48 108.858 178.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 t -90.35 109.58 20.69 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 108.397 -0.964 . . . . 25.49 108.397 176.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.49 -28.76 73.93 Favored Glycine 0 C--N 1.335 0.509 0 C-N-CA 120.124 -1.036 . . . . 24.63 112.946 176.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -58.22 -44.42 88.18 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 117.249 0.525 . . . . 26.89 110.976 174.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.0 t -63.69 -46.72 84.22 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.479 -0.488 . . . . 24.73 110.888 176.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -62.79 -33.65 75.64 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.648 -0.421 . . . . 17.73 111.569 178.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.6 mt -64.73 -39.26 93.34 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.282 -0.567 . . . . 22.98 110.985 174.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.0 mt -67.01 -42.6 84.66 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.534 -0.466 . . . . 24.79 111.301 179.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -65.18 -31.11 72.12 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.183 -0.607 . . . . 28.4 111.502 177.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.4 -34.49 67.94 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.236 -0.586 . . . . 18.1 111.314 173.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.6 tp -67.7 -32.5 73.19 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.526 -0.47 . . . . 24.06 111.224 172.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 t -59.83 -53.41 48.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 121.084 0.469 . . . . 22.25 110.256 175.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -62.97 -30.94 71.97 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.601 -0.44 . . . . 35.68 111.679 179.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.5 m -68.33 -46.77 69.28 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.436 -0.506 . . . . 24.67 111.167 -179.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.7 p -82.47 -19.66 38.41 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 112.789 0.662 . . . . 28.08 112.789 -179.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ARG . . . . . 0.581 ' NH1' ' O ' ' A' ' 405' ' ' HOH . 38.1 ttm180 -81.01 -36.23 30.88 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 118.3 0.5 . . . . 38.27 111.479 177.643 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 19.3 m-30 -103.05 24.86 10.16 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 112.444 0.535 . . . . 35.28 112.444 -175.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.01 -12.35 49.4 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.269 -0.573 . . . . 45.14 112.141 170.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -71.65 2.0 5.89 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 113.022 0.749 . . . . 59.91 113.022 176.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.7 mt -74.44 -26.36 60.01 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 118.898 0.772 . . . . 53.89 112.064 175.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -89.0 11.78 17.31 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 123.193 0.597 . . . . 47.05 112.565 178.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.1 t -143.13 -21.1 0.63 Allowed 'General case' 0 C--O 1.239 0.5 0 CA-C-N 118.152 0.433 . . . . 54.6 111.322 -175.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 97.7 p -157.25 111.7 2.69 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 109.062 -0.718 . . . . 70.15 109.062 -167.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -102.79 116.3 32.29 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.86 -1.163 . . . . 62.88 107.86 171.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.3 mt -93.71 -61.82 1.96 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 109.702 -0.481 . . . . 64.27 109.702 -171.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.5 t -144.38 160.58 40.8 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.897 -0.779 . . . . 51.49 108.897 -175.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.78 -41.68 87.28 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.455 -0.793 . . . . 38.45 110.939 175.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -66.14 -39.45 89.84 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.349 -0.54 . . . . 56.64 111.162 174.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -67.93 -38.73 83.22 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.56 -0.456 . . . . 39.89 111.268 179.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 93.9 m -71.57 -39.53 70.54 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.391 -0.524 . . . . 25.5 111.131 179.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.3 m -64.18 -42.83 96.53 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.489 -0.484 . . . . 28.29 111.466 -178.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 98.3 mmm -61.09 -40.61 94.37 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.252 -0.579 . . . . 43.64 111.237 179.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -64.39 -48.32 75.89 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.462 -0.495 . . . . 49.55 110.906 177.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.2 mt -64.14 -34.0 77.07 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.394 -0.522 . . . . 20.85 111.595 179.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.7 mt -72.06 -44.54 65.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 C-N-CA 120.311 -0.555 . . . . 27.19 110.414 177.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -56.54 -46.83 80.44 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 121.93 -0.481 . . . . 31.15 111.082 175.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.1 mt -67.02 -47.82 81.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 120.89 0.376 . . . . 20.99 110.517 -177.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.78 -33.99 77.29 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.276 -0.57 . . . . 21.34 111.436 -178.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.4 m -72.73 -46.19 54.86 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 119.804 -0.758 . . . . 37.55 111.562 -174.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 60.1 p -76.67 -31.07 57.06 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.096 0.406 . . . . 23.95 112.096 179.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -60.75 -41.94 96.43 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.324 -0.55 . . . . 20.88 110.7 170.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.37 -37.11 84.55 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.836 -0.345 . . . . 18.74 111.278 178.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.0 m -61.86 -39.93 93.59 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.246 -0.582 . . . . 24.98 110.944 176.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.5 -40.39 86.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 C-N-CA 120.714 -0.394 . . . . 20.76 110.454 177.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -62.13 -37.14 84.0 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.172 -0.611 . . . . 34.7 111.126 175.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.1 mp -75.29 -8.62 57.14 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 113.238 0.829 . . . . 35.1 113.238 -179.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 90.1 mt -101.75 -41.38 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 118.571 0.623 . . . . 31.85 111.677 179.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -102.7 -18.07 15.35 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 114.154 1.168 . . . . 28.13 114.154 -169.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -112.64 -87.76 0.55 Allowed 'General case' 0 C--O 1.247 0.969 0 N-CA-C 107.45 -1.315 . . . . 77.93 107.45 175.389 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -62.04 148.91 42.52 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 120.718 -1.238 . . . . 51.69 109.876 173.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 58.45 16.83 4.41 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 123.53 0.732 . . . . 42.9 112.514 178.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -65.48 -20.52 66.38 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 112.219 0.451 . . . . 42.21 112.219 179.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.68 -16.96 64.41 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 112.199 0.444 . . . . 25.5 112.199 176.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 18.3 p -98.72 -5.38 31.58 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 112.944 0.72 . . . . 26.5 112.944 175.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' TYR . . . . . 0.428 ' OH ' ' OD2' ' A' ' 91' ' ' ASP . 21.1 t80 -71.82 115.73 11.38 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.77 -0.456 . . . . 29.82 109.77 178.595 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -80.92 72.09 7.9 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 122.573 1.177 . . . . 39.15 109.217 179.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -68.69 -21.39 74.79 Favored Glycine 0 C--N 1.334 0.456 0 CA-C-N 114.884 -1.053 . . . . 35.22 113.931 178.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 89' ' ' ASN . 1.8 p-10 -69.14 -19.39 64.02 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 117.739 0.77 . . . . 59.47 112.307 178.115 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -110.46 -28.11 8.69 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 113.465 0.913 . . . . 33.01 113.465 178.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ASP . . . . . 0.428 ' OD2' ' OH ' ' A' ' 86' ' ' TYR . 18.1 t0 -78.59 79.73 5.0 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 107.296 -1.372 . . . . 43.08 107.296 170.886 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 t -130.32 30.19 4.77 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.184 -0.916 . . . . 41.97 111.728 -171.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -75.26 122.83 24.28 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.411 -0.589 . . . . 33.06 109.411 177.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 19.6 mtm-85 -70.51 89.53 0.71 Allowed 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.83 -0.433 . . . . 89.41 109.83 177.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 12.9 m -74.64 -5.27 6.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 N-CA-C 113.758 1.021 . . . . 35.23 113.758 -171.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.4 pm0 -66.87 -27.55 67.61 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.464 -0.894 . . . . 40.58 111.338 176.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -75.33 3.42 9.04 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 112.585 0.587 . . . . 51.71 112.585 174.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.5 tt -113.95 -48.74 2.89 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.628 0.771 . . . . 31.19 112.325 179.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 12.1 mt -71.5 -34.42 52.97 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 C-N-CA 120.75 -0.38 . . . . 27.29 110.967 -179.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 14.7 t -64.38 -49.27 72.89 Favored Pre-proline 0 C--O 1.243 0.711 0 CA-C-O 118.558 -0.734 . . . . 30.38 111.846 179.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -65.08 -40.58 19.63 Favored 'Trans proline' 0 C--O 1.237 0.431 0 CA-C-N 121.145 1.445 . . . . 24.96 113.121 174.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.0 t -62.83 -44.42 99.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 121.151 0.5 . . . . 26.88 110.354 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.76 -44.4 97.95 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 119.925 -1.131 . . . . 26.84 112.255 177.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.31 -36.42 92.72 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 119.98 -1.105 . . . . 27.55 112.611 176.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 43.4 tp -66.13 -43.8 86.08 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 122.254 -0.556 . . . . 33.06 111.191 178.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 91.8 p -66.22 -25.87 67.11 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.423 -0.511 . . . . 35.51 111.478 176.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -71.6 -27.98 63.49 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.793 -0.363 . . . . 41.17 111.56 176.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.6 mp -104.41 -34.53 8.24 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 113.442 0.904 . . . . 33.31 113.442 -173.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.9 t -116.26 106.68 20.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 N-CA-C 107.707 -1.22 . . . . 24.11 107.707 -178.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -154.88 169.48 23.92 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.698 -0.852 . . . . 39.89 108.698 177.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -83.06 -13.67 55.35 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.521 -0.763 . . . . 42.32 112.861 177.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -169.98 136.49 1.5 Allowed 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 108.249 -1.019 . . . . 49.01 108.249 -178.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -83.02 70.62 10.06 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 122.822 1.296 . . . . 42.92 108.923 177.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.5 t -124.8 144.22 46.05 Favored Pre-proline 0 C--O 1.237 0.413 0 CA-C-N 114.354 -1.294 . . . . 50.41 108.746 178.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -54.99 -46.87 29.93 Favored 'Trans proline' 0 N--CA 1.477 0.522 0 N-CA-C 113.785 0.648 . . . . 39.98 113.785 -174.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.3 mt -69.24 -35.99 76.71 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.194 -0.602 . . . . 39.31 111.36 179.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -70.28 -34.12 72.39 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.17 -0.612 . . . . 46.24 111.692 178.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.84 -43.79 93.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 C-N-CA 120.44 -0.504 . . . . 45.58 110.349 176.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.6 mt -73.87 -24.35 59.73 Favored 'General case' 0 C--O 1.236 0.344 0 O-C-N 121.853 -0.53 . . . . 34.41 112.326 -179.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -71.65 -42.31 67.69 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 119.841 -0.744 . . . . 27.84 110.767 170.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.2 m -64.03 -35.46 80.78 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.66 -0.416 . . . . 29.39 110.955 176.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -61.9 -44.47 96.72 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.45 -0.5 . . . . 26.0 111.088 175.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 16.3 p -64.48 -34.03 77.26 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.641 -0.423 . . . . 24.55 111.754 179.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.4 mp -71.23 -40.7 74.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 C-N-CA 120.412 -0.515 . . . . 23.55 110.389 179.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -73.26 -35.9 66.28 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 121.823 -0.548 . . . . 27.1 111.282 177.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 61.2 tp -70.21 -37.48 75.07 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.443 -0.503 . . . . 19.64 111.473 -178.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.03 -27.04 67.81 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 117.985 -1.007 . . . . 38.74 110.432 -179.092 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 59.5 p -72.03 -27.11 62.5 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 124.261 0.976 . . . . 27.35 111.828 -179.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.9 m -118.21 3.55 7.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 112.788 0.662 . . . . 21.12 112.788 -177.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.74 -20.01 66.1 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 118.612 0.642 . . . . 22.1 112.505 -177.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 3.9 tp -78.72 -6.67 9.6 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 112.662 0.616 . . . . 23.55 112.662 179.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 20.5 mt -63.99 -43.05 73.75 Favored Pre-proline 0 C--O 1.243 0.746 0 CA-C-O 117.903 -1.046 . . . . 28.09 113.516 -173.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -62.83 -34.45 72.35 Favored 'Trans proline' 0 C--O 1.239 0.53 0 CA-C-N 121.64 1.621 . . . . 24.15 113.492 177.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -69.62 -37.86 77.01 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.358 -0.537 . . . . 25.86 111.172 177.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.4 mp -66.86 -38.28 86.05 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.401 -0.52 . . . . 28.25 111.085 176.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -59.39 -38.78 81.39 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.704 0.288 . . . . 47.56 110.947 173.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 8.3 ttt -70.01 -42.29 73.19 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 121.065 -0.254 . . . . 34.36 111.468 -177.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 6.4 mt -69.63 -43.88 79.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 C-N-CA 120.654 -0.418 . . . . 31.54 110.768 -177.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.2 m -62.93 -33.98 76.48 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.984 -0.687 . . . . 34.08 111.049 -178.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -69.06 -53.54 19.87 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.637 -0.425 . . . . 51.48 111.245 179.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 75.8 p -87.52 -26.6 23.1 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 113.387 0.884 . . . . 44.66 113.387 -173.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 68.95 6.8 54.29 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-O 119.137 -0.813 . . . . 43.49 114.763 -169.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -124.58 148.58 47.75 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.346 1.073 . . . . 60.55 110.033 -177.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -155.34 77.5 1.0 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.416 -0.811 . . . . 45.55 108.91 176.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -62.63 -47.8 82.14 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.429 -0.35 . . . . 63.34 111.712 -167.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 30' ' ' ALA . 1.8 m -74.61 -12.52 60.47 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 112.952 0.723 . . . . 34.94 112.952 -174.802 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 22.0 mt -83.3 122.4 37.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 N-CA-C 108.936 -0.765 . . . . 35.63 108.936 -177.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 56.3 p -111.23 155.1 23.48 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.064 0.546 . . . . 30.93 110.327 -178.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 18.4 p -59.01 -43.59 91.57 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.5 -0.773 . . . . 37.89 111.853 -173.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -69.33 -23.29 63.77 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.986 -0.686 . . . . 62.22 112.256 -177.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -63.32 -38.69 92.12 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.997 -0.681 . . . . 29.66 110.797 170.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -69.12 -37.8 78.55 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.385 -0.526 . . . . 25.26 111.273 174.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -58.51 -44.97 89.69 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.734 -0.386 . . . . 37.42 111.384 -176.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -77.79 -15.3 59.19 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 112.433 0.531 . . . . 32.18 112.433 178.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 10.1 mt -76.74 -39.9 50.3 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.467 -0.493 . . . . 31.03 111.045 169.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -72.72 -41.78 48.97 Favored Glycine 0 C--N 1.334 0.458 0 C-N-CA 120.052 -1.071 . . . . 20.74 112.467 176.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 19.5 tp -60.88 -31.94 71.4 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 122.305 -0.527 . . . . 30.99 111.309 175.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -66.82 -49.25 66.38 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.663 0.268 . . . . 33.25 111.055 177.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' ARG . . . . . 0.495 ' NH2' ' O ' ' A' ' 408' ' ' HOH . 22.8 mmm180 -68.42 -35.96 78.4 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.066 -0.654 . . . . 28.03 111.271 178.94 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.35 -32.38 70.06 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.24 -0.584 . . . . 25.7 111.764 179.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 24.4 mt -75.13 -29.24 60.47 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.751 -0.78 . . . . 28.05 111.451 178.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -73.17 -23.11 60.4 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.167 -0.613 . . . . 40.07 111.783 172.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -60.4 -47.99 83.68 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.92 0.391 . . . . 36.45 110.51 168.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' VAL . . . . . . . . . . . . . 20.3 t -69.06 -33.5 59.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 C-N-CA 120.663 -0.415 . . . . 31.1 110.635 176.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -60.42 -38.7 84.88 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.511 -0.476 . . . . 35.73 111.229 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' TRP . . . . . . . . . . . . . 31.8 m0 -67.09 -35.11 79.09 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.437 -0.505 . . . . 35.09 111.35 178.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 74.9 mt -77.39 -48.35 24.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 C-N-CA 120.757 -0.377 . . . . 50.39 110.847 -176.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' TRP . . . . . . . . . . . . . 48.8 t90 -61.31 -36.83 81.17 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.41 -0.516 . . . . 81.79 111.108 178.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -62.93 -41.78 99.59 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.679 -0.408 . . . . 53.53 111.322 179.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -73.78 -43.42 59.0 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.969 -0.693 . . . . 66.63 111.548 -176.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -74.9 -30.61 61.33 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.001 -0.68 . . . . 52.65 112.137 -172.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -103.33 -9.72 19.24 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 113.597 0.962 . . . . 68.44 113.597 -176.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -133.58 -8.09 2.85 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 114.247 1.203 . . . . 75.16 114.247 179.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 67.77 11.9 61.15 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 119.251 0.932 . . . . 56.45 114.709 -174.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -89.47 135.11 33.78 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 118.069 0.935 . . . . 47.67 109.923 -177.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -148.43 132.43 17.2 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.385 -0.968 . . . . 42.92 108.385 176.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -119.35 102.77 8.92 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 107.935 -1.135 . . . . 40.44 107.935 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -61.46 -39.21 90.03 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.533 -0.467 . . . . 46.21 111.17 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 81.2 mt -65.12 -49.29 80.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 121.209 0.528 . . . . 30.34 110.544 -177.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -70.29 -38.97 75.13 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.298 -0.561 . . . . 27.6 111.516 -177.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 13.6 t -67.44 -46.78 82.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 C-N-CA 120.63 -0.428 . . . . 27.89 110.599 -177.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 20.9 t -60.91 -47.8 91.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 CA-C-O 121.151 0.501 . . . . 28.34 110.427 -179.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -63.21 -35.21 79.55 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.319 -0.552 . . . . 27.63 111.159 177.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -65.97 -34.89 89.79 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 120.221 -0.99 . . . . 22.88 113.188 177.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 60.5 t -66.12 -38.98 83.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-N 117.338 0.569 . . . . 36.72 110.331 175.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 39.6 t -63.3 -43.31 98.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 O-C-N 121.888 -0.508 . . . . 23.51 110.427 175.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 187' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -64.62 -38.74 92.03 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 121.976 -0.453 . . . . 31.06 111.273 179.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 94.3 m -68.81 -42.58 77.06 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.334 -0.546 . . . . 27.31 111.361 -178.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 27.3 t -60.74 -43.25 94.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 C-N-CA 120.549 -0.46 . . . . 20.64 110.488 178.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 65.6 mt -69.1 -29.2 67.23 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.308 -0.557 . . . . 24.06 111.787 178.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 191' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -74.96 -28.0 60.4 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.226 -0.59 . . . . 33.7 111.929 -178.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 67.1 m -71.94 -37.14 70.05 Favored 'General case' 0 C--O 1.186 -2.243 0 C-N-CA 124.934 1.293 . . . . 39.61 108.062 175.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -64.05 -36.45 84.06 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 125.386 1.679 . . . . 48.07 110.54 172.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -59.27 -50.51 73.72 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.74 0.305 . . . . 32.72 110.822 170.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -65.64 -40.91 93.02 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.489 -0.484 . . . . 28.8 111.385 -179.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 196' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -63.99 -44.54 92.36 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.385 -0.526 . . . . 42.79 111.242 179.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 21.4 mt -62.72 -37.65 87.37 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.551 -0.46 . . . . 38.18 111.274 179.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 198' ' ' TYR . . . . . 0.407 ' O ' ' N ' ' A' ' 203' ' ' LEU . 68.5 t80 -64.61 -46.44 82.64 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.455 -0.498 . . . . 38.97 111.038 179.319 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 42.1 t -67.35 -42.73 87.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 C-N-CA 120.547 -0.461 . . . . 41.11 110.765 -178.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 72.5 p -82.06 -32.4 30.37 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 113.013 0.745 . . . . 35.73 113.013 -172.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -111.32 -41.91 4.03 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.864 1.061 . . . . 42.82 113.864 -174.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' VAL . . . . . . . . . . . . . 4.8 t -84.27 -69.29 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 118.486 0.585 . . . . 47.8 109.481 -179.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 198' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.505 -0.316 . . . . 56.81 111.617 -177.331 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' OLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' OLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' OLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 405' ' ' HOH . . . . . 0.581 ' O ' ' NH1' ' A' ' 47' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 406' ' ' HOH . . . . . 0.531 ' O ' ' NH2' ' A' ' 27' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 408' ' ' HOH . . . . . 0.495 ' O ' ' NH2' ' A' ' 159' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 423' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 425' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 426' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 428' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 429' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 430' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 431' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 432' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 433' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 434' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 435' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 436' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 437' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 438' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 439' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 440' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 441' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 442' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 443' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 444' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 445' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 446' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 447' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 448' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 449' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 450' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 451' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 452' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 453' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 tpt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.68 0.276 . . . . 67.93 111.035 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -129.35 178.95 6.07 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.163 -0.68 . . . . 68.32 109.163 178.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.4 tt -76.24 -25.68 16.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 CA-C-N 115.748 -0.66 . . . . 39.99 111.705 -172.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -84.37 -32.73 24.04 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 121.455 -0.778 . . . . 40.07 112.122 -175.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.8 ttt85 -69.21 -33.77 73.85 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.491 -0.884 . . . . 63.67 110.795 166.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.27 -57.93 8.83 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.942 0.401 . . . . 41.2 111.018 176.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.9 p -66.82 -31.67 72.45 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.456 -0.498 . . . . 29.67 111.839 -179.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.51 -39.86 97.19 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 119.983 -1.103 . . . . 27.0 112.42 176.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -67.64 -39.74 84.63 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.334 -0.546 . . . . 45.18 111.075 175.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 71.5 mt -65.87 -39.0 90.29 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.354 -0.539 . . . . 24.22 111.099 176.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.2 -40.58 96.37 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.325 -0.55 . . . . 26.45 110.85 173.482 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' HIS . . . . . 0.423 ' HB2' ' CD1' ' A' ' 158' ' ' TYR . 19.6 t-160 -60.31 -39.4 86.87 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.752 -0.379 . . . . 28.29 110.945 172.764 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.7 tp -70.24 -39.34 75.09 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.39 -0.524 . . . . 26.69 111.383 179.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.85 -41.51 96.0 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.464 -0.494 . . . . 20.59 111.412 -177.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.22 95.02 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.421 -0.511 . . . . 20.53 111.317 179.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.13 -41.44 92.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 120.72 -0.392 . . . . 21.92 110.493 179.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.6 mm -65.72 -39.14 84.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 O-C-N 121.952 -0.468 . . . . 21.23 110.587 177.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.4 mt -61.46 -45.81 97.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-O 121.094 0.474 . . . . 22.82 110.309 -179.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.8 tp -68.01 -39.92 83.08 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.304 -0.559 . . . . 21.39 111.265 179.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.1 tp -66.84 -40.65 88.0 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.349 -0.54 . . . . 26.65 111.309 179.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.8 mt -73.92 -33.46 63.97 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.138 -0.625 . . . . 35.84 111.781 178.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -65.55 -44.41 86.89 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.425 -0.51 . . . . 36.9 111.025 178.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.7 mt -64.05 -37.78 80.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-O 121.04 0.448 . . . . 20.66 110.447 177.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -69.34 -46.42 67.1 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 121.859 -0.526 . . . . 32.86 111.419 -176.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.28 -45.86 53.14 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.164 -0.614 . . . . 53.13 111.565 -177.393 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.8 p -69.54 -9.75 55.22 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 112.656 0.613 . . . . 28.79 112.656 178.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ARG . . . . . 0.531 ' NH2' ' O ' ' A' ' 406' ' ' HOH . 7.8 mmm180 53.2 37.08 24.21 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.702 0.763 . . . . 35.16 110.48 -176.215 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 t -152.95 140.31 19.59 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.744 -0.662 . . . . 30.06 109.709 -169.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.2 p -125.25 23.8 7.55 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.715 -0.675 . . . . 31.31 111.01 170.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.16 136.35 57.9 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.268 0.556 . . . . 30.57 110.609 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.48 -9.2 71.64 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-O 119.194 -0.781 . . . . 27.26 114.879 -177.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 42.3 mm -94.16 135.81 27.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-N 118.259 1.03 . . . . 30.48 108.858 178.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 t -90.35 109.58 20.69 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 108.397 -0.964 . . . . 25.49 108.397 176.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.49 -28.76 73.93 Favored Glycine 0 C--N 1.335 0.509 0 C-N-CA 120.124 -1.036 . . . . 24.63 112.946 176.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -58.22 -44.42 88.18 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 117.249 0.525 . . . . 26.89 110.976 174.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.0 t -63.69 -46.72 84.22 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.479 -0.488 . . . . 24.73 110.888 176.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -62.79 -33.65 75.64 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.648 -0.421 . . . . 17.73 111.569 178.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.6 mt -64.73 -39.26 93.34 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.282 -0.567 . . . . 22.98 110.985 174.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.0 mt -67.01 -42.6 84.66 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.534 -0.466 . . . . 24.79 111.301 179.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -65.18 -31.11 72.12 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.183 -0.607 . . . . 28.4 111.502 177.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.4 -34.49 67.94 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.236 -0.586 . . . . 18.1 111.314 173.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.6 tp -67.7 -32.5 73.19 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.526 -0.47 . . . . 24.06 111.224 172.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' VAL . . . . . 0.643 HG11 ' HG3' ' A' ' 127' ' ' GLU . 11.4 t -59.83 -53.41 48.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 121.084 0.469 . . . . 22.25 110.256 175.728 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -62.97 -30.94 71.97 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.601 -0.44 . . . . 35.68 111.679 179.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.5 m -68.33 -46.77 69.28 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.436 -0.506 . . . . 24.67 111.167 -179.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.7 p -82.47 -19.66 38.41 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 112.789 0.662 . . . . 28.08 112.789 -179.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ARG . . . . . 0.581 ' NH1' ' O ' ' A' ' 405' ' ' HOH . 38.1 ttm180 -81.01 -36.23 30.88 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 118.3 0.5 . . . . 38.27 111.479 177.643 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 19.3 m-30 -103.05 24.86 10.16 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 112.444 0.535 . . . . 35.28 112.444 -175.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.01 -12.35 49.4 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.269 -0.573 . . . . 45.14 112.141 170.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . 0.475 ' HA ' HG22 ' A' ' 53' ' ' THR . 1.3 p30 -71.65 2.0 5.89 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 113.022 0.749 . . . . 59.91 113.022 176.064 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.7 mt -74.44 -26.36 60.01 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 118.898 0.772 . . . . 53.89 112.064 175.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -89.0 11.78 17.31 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 123.193 0.597 . . . . 47.05 112.565 178.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' THR . . . . . 0.512 HG21 HD11 ' A' ' 116' ' ' LEU . 6.1 t -143.13 -21.1 0.63 Allowed 'General case' 0 C--O 1.239 0.5 0 CA-C-N 118.152 0.433 . . . . 54.6 111.322 -175.584 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 97.7 p -157.25 111.7 2.69 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 109.062 -0.718 . . . . 70.15 109.062 -167.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -102.79 116.3 32.29 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.86 -1.163 . . . . 62.88 107.86 171.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.3 mt -93.71 -61.82 1.96 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 109.702 -0.481 . . . . 64.27 109.702 -171.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.5 t -144.38 160.58 40.8 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.897 -0.779 . . . . 51.49 108.897 -175.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.78 -41.68 87.28 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.455 -0.793 . . . . 38.45 110.939 175.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -66.14 -39.45 89.84 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.349 -0.54 . . . . 56.64 111.162 174.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -67.93 -38.73 83.22 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.56 -0.456 . . . . 39.89 111.268 179.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 93.9 m -71.57 -39.53 70.54 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.391 -0.524 . . . . 25.5 111.131 179.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.3 m -64.18 -42.83 96.53 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.489 -0.484 . . . . 28.29 111.466 -178.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 98.3 mmm -61.09 -40.61 94.37 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.252 -0.579 . . . . 43.64 111.237 179.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -64.39 -48.32 75.89 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.462 -0.495 . . . . 49.55 110.906 177.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.2 mt -64.14 -34.0 77.07 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.394 -0.522 . . . . 20.85 111.595 179.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.7 mt -72.06 -44.54 65.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 C-N-CA 120.311 -0.555 . . . . 27.19 110.414 177.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -56.54 -46.83 80.44 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 121.93 -0.481 . . . . 31.15 111.082 175.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.1 mt -67.02 -47.82 81.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 120.89 0.376 . . . . 20.99 110.517 -177.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.78 -33.99 77.29 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.276 -0.57 . . . . 21.34 111.436 -178.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.4 m -72.73 -46.19 54.86 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 119.804 -0.758 . . . . 37.55 111.562 -174.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 60.1 p -76.67 -31.07 57.06 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.096 0.406 . . . . 23.95 112.096 179.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -60.75 -41.94 96.43 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.324 -0.55 . . . . 20.88 110.7 170.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.37 -37.11 84.55 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.836 -0.345 . . . . 18.74 111.278 178.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.0 m -61.86 -39.93 93.59 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.246 -0.582 . . . . 24.98 110.944 176.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.5 -40.39 86.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 C-N-CA 120.714 -0.394 . . . . 20.76 110.454 177.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -62.13 -37.14 84.0 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.172 -0.611 . . . . 34.7 111.126 175.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.1 mp -75.29 -8.62 57.14 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 113.238 0.829 . . . . 35.1 113.238 -179.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 90.1 mt -101.75 -41.38 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 118.571 0.623 . . . . 31.85 111.677 179.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -102.7 -18.07 15.35 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 114.154 1.168 . . . . 28.13 114.154 -169.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -112.64 -87.76 0.55 Allowed 'General case' 0 C--O 1.247 0.969 0 N-CA-C 107.45 -1.315 . . . . 77.93 107.45 175.389 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -62.04 148.91 42.52 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 120.718 -1.238 . . . . 51.69 109.876 173.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 58.45 16.83 4.41 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 123.53 0.732 . . . . 42.9 112.514 178.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -65.48 -20.52 66.38 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 112.219 0.451 . . . . 42.21 112.219 179.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.68 -16.96 64.41 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 112.199 0.444 . . . . 25.5 112.199 176.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 18.3 p -98.72 -5.38 31.58 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 112.944 0.72 . . . . 26.5 112.944 175.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -71.82 115.73 11.38 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.77 -0.456 . . . . 29.82 109.77 178.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -80.92 72.09 7.9 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 122.573 1.177 . . . . 39.15 109.217 179.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -68.69 -21.39 74.79 Favored Glycine 0 C--N 1.334 0.456 0 CA-C-N 114.884 -1.053 . . . . 35.22 113.931 178.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -69.14 -19.39 64.02 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 117.739 0.77 . . . . 59.47 112.307 178.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -110.46 -28.11 8.69 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 113.465 0.913 . . . . 33.01 113.465 178.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -78.59 79.73 5.0 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 107.296 -1.372 . . . . 43.08 107.296 170.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 t -130.32 30.19 4.77 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.184 -0.916 . . . . 41.97 111.728 -171.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -75.26 122.83 24.28 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.411 -0.589 . . . . 33.06 109.411 177.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 19.6 mtm-85 -70.51 89.53 0.71 Allowed 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.83 -0.433 . . . . 89.41 109.83 177.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 12.9 m -74.64 -5.27 6.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 N-CA-C 113.758 1.021 . . . . 35.23 113.758 -171.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.4 pm0 -66.87 -27.55 67.61 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.464 -0.894 . . . . 40.58 111.338 176.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -75.33 3.42 9.04 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 112.585 0.587 . . . . 51.71 112.585 174.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.5 tt -113.95 -48.74 2.89 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.628 0.771 . . . . 31.19 112.325 179.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 12.1 mt -71.5 -34.42 52.97 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 C-N-CA 120.75 -0.38 . . . . 27.29 110.967 -179.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 14.7 t -64.38 -49.27 72.89 Favored Pre-proline 0 C--O 1.243 0.711 0 CA-C-O 118.558 -0.734 . . . . 30.38 111.846 179.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -65.08 -40.58 19.63 Favored 'Trans proline' 0 C--O 1.237 0.431 0 CA-C-N 121.145 1.445 . . . . 24.96 113.121 174.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.0 t -62.83 -44.42 99.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 121.151 0.5 . . . . 26.88 110.354 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.76 -44.4 97.95 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 119.925 -1.131 . . . . 26.84 112.255 177.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.31 -36.42 92.72 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 119.98 -1.105 . . . . 27.55 112.611 176.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 43.4 tp -66.13 -43.8 86.08 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 122.254 -0.556 . . . . 33.06 111.191 178.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 91.8 p -66.22 -25.87 67.11 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.423 -0.511 . . . . 35.51 111.478 176.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -71.6 -27.98 63.49 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.793 -0.363 . . . . 41.17 111.56 176.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.6 mp -104.41 -34.53 8.24 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 113.442 0.904 . . . . 33.31 113.442 -173.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.9 t -116.26 106.68 20.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 N-CA-C 107.707 -1.22 . . . . 24.11 107.707 -178.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -154.88 169.48 23.92 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.698 -0.852 . . . . 39.89 108.698 177.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -83.06 -13.67 55.35 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.521 -0.763 . . . . 42.32 112.861 177.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -169.98 136.49 1.5 Allowed 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 108.249 -1.019 . . . . 49.01 108.249 -178.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -83.02 70.62 10.06 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 122.822 1.296 . . . . 42.92 108.923 177.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.5 t -124.8 144.22 46.05 Favored Pre-proline 0 C--O 1.237 0.413 0 CA-C-N 114.354 -1.294 . . . . 50.41 108.746 178.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -54.99 -46.87 29.93 Favored 'Trans proline' 0 N--CA 1.477 0.522 0 N-CA-C 113.785 0.648 . . . . 39.98 113.785 -174.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LEU . . . . . 0.512 HD11 HG21 ' A' ' 53' ' ' THR . 8.3 mt -69.24 -35.99 76.71 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.194 -0.602 . . . . 39.31 111.36 179.889 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -70.28 -34.12 72.39 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.17 -0.612 . . . . 46.24 111.692 178.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.84 -43.79 93.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 C-N-CA 120.44 -0.504 . . . . 45.58 110.349 176.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.6 mt -73.87 -24.35 59.73 Favored 'General case' 0 C--O 1.236 0.344 0 O-C-N 121.853 -0.53 . . . . 34.41 112.326 -179.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -71.65 -42.31 67.69 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 119.841 -0.744 . . . . 27.84 110.767 170.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.2 m -64.03 -35.46 80.78 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.66 -0.416 . . . . 29.39 110.955 176.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -61.9 -44.47 96.72 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.45 -0.5 . . . . 26.0 111.088 175.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 16.3 p -64.48 -34.03 77.26 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.641 -0.423 . . . . 24.55 111.754 179.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.4 mp -71.23 -40.7 74.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 C-N-CA 120.412 -0.515 . . . . 23.55 110.389 179.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -73.26 -35.9 66.28 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 121.823 -0.548 . . . . 27.1 111.282 177.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 61.2 tp -70.21 -37.48 75.07 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.443 -0.503 . . . . 19.64 111.473 -178.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' GLU . . . . . 0.643 ' HG3' HG11 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -66.03 -27.04 67.81 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 117.985 -1.007 . . . . 38.74 110.432 -179.092 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 128' ' ' SER . . . . . 0.509 ' HA ' ' HB2' ' A' ' 187' ' ' GLN . 59.5 p -72.03 -27.11 62.5 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 124.261 0.976 . . . . 27.35 111.828 -179.068 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 129' ' ' VAL . . . . . 0.406 ' HB ' HD12 ' A' ' 132' ' ' LEU . 1.9 m -118.21 3.55 7.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 112.788 0.662 . . . . 21.12 112.788 -177.088 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.74 -20.01 66.1 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 118.612 0.642 . . . . 22.1 112.505 -177.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' ILE . . . . . 0.567 HG13 HD13 ' A' ' 135' ' ' LEU . 3.9 tp -78.72 -6.67 9.6 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 112.662 0.616 . . . . 23.55 112.662 179.197 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 132' ' ' LEU . . . . . 0.521 HD22 H11A ' A' ' 303' ' ' OLC . 20.5 mt -63.99 -43.05 73.75 Favored Pre-proline 0 C--O 1.243 0.746 0 CA-C-O 117.903 -1.046 . . . . 28.09 113.516 -173.225 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -62.83 -34.45 72.35 Favored 'Trans proline' 0 C--O 1.239 0.53 0 CA-C-N 121.64 1.621 . . . . 24.15 113.492 177.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -69.62 -37.86 77.01 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.358 -0.537 . . . . 25.86 111.172 177.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' LEU . . . . . 0.567 HD13 HG13 ' A' ' 131' ' ' ILE . 2.4 mp -66.86 -38.28 86.05 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.401 -0.52 . . . . 28.25 111.085 176.352 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -59.39 -38.78 81.39 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.704 0.288 . . . . 47.56 110.947 173.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 8.3 ttt -70.01 -42.29 73.19 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 121.065 -0.254 . . . . 34.36 111.468 -177.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 6.4 mt -69.63 -43.88 79.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 C-N-CA 120.654 -0.418 . . . . 31.54 110.768 -177.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' SER . . . . . 0.543 ' HB2' H16A ' A' ' 303' ' ' OLC . 1.2 m -62.93 -33.98 76.48 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.984 -0.687 . . . . 34.08 111.049 -178.981 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -69.06 -53.54 19.87 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.637 -0.425 . . . . 51.48 111.245 179.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 75.8 p -87.52 -26.6 23.1 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 113.387 0.884 . . . . 44.66 113.387 -173.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 68.95 6.8 54.29 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-O 119.137 -0.813 . . . . 43.49 114.763 -169.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -124.58 148.58 47.75 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.346 1.073 . . . . 60.55 110.033 -177.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -155.34 77.5 1.0 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.416 -0.811 . . . . 45.55 108.91 176.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -62.63 -47.8 82.14 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.429 -0.35 . . . . 63.34 111.712 -167.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.8 m -74.61 -12.52 60.47 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 112.952 0.723 . . . . 34.94 112.952 -174.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 22.0 mt -83.3 122.4 37.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 N-CA-C 108.936 -0.765 . . . . 35.63 108.936 -177.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 56.3 p -111.23 155.1 23.48 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.064 0.546 . . . . 30.93 110.327 -178.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 18.4 p -59.01 -43.59 91.57 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.5 -0.773 . . . . 37.89 111.853 -173.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -69.33 -23.29 63.77 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.986 -0.686 . . . . 62.22 112.256 -177.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -63.32 -38.69 92.12 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.997 -0.681 . . . . 29.66 110.797 170.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -69.12 -37.8 78.55 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.385 -0.526 . . . . 25.26 111.273 174.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -58.51 -44.97 89.69 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.734 -0.386 . . . . 37.42 111.384 -176.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -77.79 -15.3 59.19 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 112.433 0.531 . . . . 32.18 112.433 178.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 10.1 mt -76.74 -39.9 50.3 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.467 -0.493 . . . . 31.03 111.045 169.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -72.72 -41.78 48.97 Favored Glycine 0 C--N 1.334 0.458 0 C-N-CA 120.052 -1.071 . . . . 20.74 112.467 176.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 19.5 tp -60.88 -31.94 71.4 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 122.305 -0.527 . . . . 30.99 111.309 175.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 158' ' ' TYR . . . . . 0.423 ' CD1' ' HB2' ' A' ' 12' ' ' HIS . 2.0 t80 -66.82 -49.25 66.38 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.663 0.268 . . . . 33.25 111.055 177.598 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -68.42 -35.96 78.4 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.066 -0.654 . . . . 28.03 111.271 178.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.35 -32.38 70.06 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.24 -0.584 . . . . 25.7 111.764 179.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 24.4 mt -75.13 -29.24 60.47 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.751 -0.78 . . . . 28.05 111.451 178.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 162' ' ' TYR . . . . . 0.494 ' HA ' ' HB3' ' A' ' 165' ' ' ASN . 3.7 m-85 -73.17 -23.11 60.4 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.167 -0.613 . . . . 40.07 111.783 172.598 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -60.4 -47.99 83.68 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.92 0.391 . . . . 36.45 110.51 168.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 164' ' ' VAL . . . . . . . . . . . . . 20.3 t -69.06 -33.5 59.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 C-N-CA 120.663 -0.415 . . . . 31.1 110.635 176.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 165' ' ' ASN . . . . . 0.494 ' HB3' ' HA ' ' A' ' 162' ' ' TYR . 4.3 t-20 -60.42 -38.7 84.88 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.511 -0.476 . . . . 35.73 111.229 178.616 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 166' ' ' TRP . . . . . . . . . . . . . 31.8 m0 -67.09 -35.11 79.09 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.437 -0.505 . . . . 35.09 111.35 178.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 74.9 mt -77.39 -48.35 24.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 C-N-CA 120.757 -0.377 . . . . 50.39 110.847 -176.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 168' ' ' TRP . . . . . . . . . . . . . 48.8 t90 -61.31 -36.83 81.17 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.41 -0.516 . . . . 81.79 111.108 178.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 169' ' ' ARG . . . . . 0.582 ' HG3' ' HB3' ' A' ' 175' ' ' PHE . 8.0 tpt180 -62.93 -41.78 99.59 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.679 -0.408 . . . . 53.53 111.322 179.741 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 170' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -73.78 -43.42 59.0 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.969 -0.693 . . . . 66.63 111.548 -176.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -74.9 -30.61 61.33 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.001 -0.68 . . . . 52.65 112.137 -172.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -103.33 -9.72 19.24 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 113.597 0.962 . . . . 68.44 113.597 -176.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -133.58 -8.09 2.85 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 114.247 1.203 . . . . 75.16 114.247 179.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 67.77 11.9 61.15 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 119.251 0.932 . . . . 56.45 114.709 -174.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 175' ' ' PHE . . . . . 0.582 ' HB3' ' HG3' ' A' ' 169' ' ' ARG . 62.2 t80 -89.47 135.11 33.78 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 118.069 0.935 . . . . 47.67 109.923 -177.391 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -148.43 132.43 17.2 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.385 -0.968 . . . . 42.92 108.385 176.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -119.35 102.77 8.92 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 107.935 -1.135 . . . . 40.44 107.935 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -61.46 -39.21 90.03 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.533 -0.467 . . . . 46.21 111.17 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 81.2 mt -65.12 -49.29 80.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 121.209 0.528 . . . . 30.34 110.544 -177.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -70.29 -38.97 75.13 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.298 -0.561 . . . . 27.6 111.516 -177.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 13.6 t -67.44 -46.78 82.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 C-N-CA 120.63 -0.428 . . . . 27.89 110.599 -177.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 20.9 t -60.91 -47.8 91.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 CA-C-O 121.151 0.501 . . . . 28.34 110.427 -179.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -63.21 -35.21 79.55 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.319 -0.552 . . . . 27.63 111.159 177.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -65.97 -34.89 89.79 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 120.221 -0.99 . . . . 22.88 113.188 177.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 60.5 t -66.12 -38.98 83.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-N 117.338 0.569 . . . . 36.72 110.331 175.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 39.6 t -63.3 -43.31 98.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 O-C-N 121.888 -0.508 . . . . 23.51 110.427 175.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 187' ' ' GLN . . . . . 0.509 ' HB2' ' HA ' ' A' ' 128' ' ' SER . 63.1 tt0 -64.62 -38.74 92.03 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 121.976 -0.453 . . . . 31.06 111.273 179.882 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 94.3 m -68.81 -42.58 77.06 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.334 -0.546 . . . . 27.31 111.361 -178.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 27.3 t -60.74 -43.25 94.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 C-N-CA 120.549 -0.46 . . . . 20.64 110.488 178.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 65.6 mt -69.1 -29.2 67.23 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.308 -0.557 . . . . 24.06 111.787 178.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 191' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -74.96 -28.0 60.4 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.226 -0.59 . . . . 33.7 111.929 -178.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 67.1 m -71.94 -37.14 70.05 Favored 'General case' 0 C--O 1.186 -2.243 0 C-N-CA 124.934 1.293 . . . . 39.61 108.062 175.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -64.05 -36.45 84.06 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 125.386 1.679 . . . . 48.07 110.54 172.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -59.27 -50.51 73.72 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.74 0.305 . . . . 32.72 110.822 170.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -65.64 -40.91 93.02 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.489 -0.484 . . . . 28.8 111.385 -179.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 196' ' ' TYR . . . . . 0.444 ' CZ ' HG21 ' A' ' 200' ' ' THR . 86.4 t80 -63.99 -44.54 92.36 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.385 -0.526 . . . . 42.79 111.242 179.753 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 21.4 mt -62.72 -37.65 87.37 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.551 -0.46 . . . . 38.18 111.274 179.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 198' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -64.61 -46.44 82.64 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.455 -0.498 . . . . 38.97 111.038 179.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 42.1 t -67.35 -42.73 87.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 C-N-CA 120.547 -0.461 . . . . 41.11 110.765 -178.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 200' ' ' THR . . . . . 0.444 HG21 ' CZ ' ' A' ' 196' ' ' TYR . 72.5 p -82.06 -32.4 30.37 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 113.013 0.745 . . . . 35.73 113.013 -172.393 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 201' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -111.32 -41.91 4.03 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.864 1.061 . . . . 42.82 113.864 -174.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' VAL . . . . . . . . . . . . . 4.8 t -84.27 -69.29 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 118.486 0.585 . . . . 47.8 109.481 -179.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.505 -0.316 . . . . 56.81 111.617 -177.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 301' ' ' OLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' OLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' OLC . . . . . 0.543 H16A ' HB2' ' A' ' 139' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 405' ' ' HOH . . . . . 0.581 ' O ' ' NH1' ' A' ' 47' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 406' ' ' HOH . . . . . 0.531 ' O ' ' NH2' ' A' ' 27' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 423' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 425' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 426' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 428' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 429' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 430' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 431' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 432' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 433' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 434' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 435' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 436' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 437' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 438' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 439' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 440' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 441' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 442' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 443' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 444' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 445' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 446' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 447' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 448' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 449' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 450' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 451' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 452' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 453' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 tpt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.68 0.276 . . . . 67.93 111.035 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -129.35 178.95 6.07 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.163 -0.68 . . . . 68.32 109.163 178.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.4 tt -76.24 -25.68 16.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 CA-C-N 115.748 -0.66 . . . . 39.99 111.705 -172.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -84.37 -32.73 24.04 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 121.455 -0.778 . . . . 40.07 112.122 -175.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.8 ttt85 -69.21 -33.77 73.85 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 119.491 -0.884 . . . . 63.67 110.795 166.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tp -63.27 -57.93 8.83 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.942 0.401 . . . . 41.2 111.018 176.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 43.9 p -66.82 -31.67 72.45 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.456 -0.498 . . . . 29.67 111.839 -179.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.51 -39.86 97.19 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 119.983 -1.103 . . . . 27.0 112.42 176.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -67.64 -39.74 84.63 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.334 -0.546 . . . . 45.18 111.075 175.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 71.5 mt -65.87 -39.0 90.29 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.354 -0.539 . . . . 24.22 111.099 176.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.2 -40.58 96.37 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.325 -0.55 . . . . 26.45 110.85 173.482 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.423 ' HB2' ' CD1' ' A' ' 158' ' ' TYR . 19.6 t-160 -60.31 -39.4 86.87 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.752 -0.379 . . . . 28.29 110.945 172.764 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.7 tp -70.24 -39.34 75.09 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.39 -0.524 . . . . 26.69 111.383 179.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.85 -41.51 96.0 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.464 -0.494 . . . . 20.59 111.412 -177.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.22 95.02 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.421 -0.511 . . . . 20.53 111.317 179.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.13 -41.44 92.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 120.72 -0.392 . . . . 21.92 110.493 179.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.6 mm -65.72 -39.14 84.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 O-C-N 121.952 -0.468 . . . . 21.23 110.587 177.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.4 mt -61.46 -45.81 97.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-O 121.094 0.474 . . . . 22.82 110.309 -179.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.8 tp -68.01 -39.92 83.08 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.304 -0.559 . . . . 21.39 111.265 179.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.1 tp -66.84 -40.65 88.0 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.349 -0.54 . . . . 26.65 111.309 179.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 41.8 mt -73.92 -33.46 63.97 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.138 -0.625 . . . . 35.84 111.781 178.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -65.55 -44.41 86.89 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.425 -0.51 . . . . 36.9 111.025 178.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.7 mt -64.05 -37.78 80.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-O 121.04 0.448 . . . . 20.66 110.447 177.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -69.34 -46.42 67.1 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 121.859 -0.526 . . . . 32.86 111.419 -176.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.28 -45.86 53.14 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.164 -0.614 . . . . 53.13 111.565 -177.393 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.8 p -69.54 -9.75 55.22 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 112.656 0.613 . . . . 28.79 112.656 178.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.531 ' NH2' ' O ' ' A' ' 406' ' ' HOH . 7.8 mmm180 53.2 37.08 24.21 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.702 0.763 . . . . 35.16 110.48 -176.215 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 t -152.95 140.31 19.59 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.744 -0.662 . . . . 30.06 109.709 -169.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.2 p -125.25 23.8 7.55 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.715 -0.675 . . . . 31.31 111.01 170.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.16 136.35 57.9 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.268 0.556 . . . . 30.57 110.609 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.48 -9.2 71.64 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-O 119.194 -0.781 . . . . 27.26 114.879 -177.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 42.3 mm -94.16 135.81 27.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-N 118.259 1.03 . . . . 30.48 108.858 178.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 t -90.35 109.58 20.69 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 108.397 -0.964 . . . . 25.49 108.397 176.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.49 -28.76 73.93 Favored Glycine 0 C--N 1.335 0.509 0 C-N-CA 120.124 -1.036 . . . . 24.63 112.946 176.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -58.22 -44.42 88.18 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 117.249 0.525 . . . . 26.89 110.976 174.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.0 t -63.69 -46.72 84.22 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.479 -0.488 . . . . 24.73 110.888 176.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -62.79 -33.65 75.64 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.648 -0.421 . . . . 17.73 111.569 178.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.6 mt -64.73 -39.26 93.34 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.282 -0.567 . . . . 22.98 110.985 174.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.0 mt -67.01 -42.6 84.66 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.534 -0.466 . . . . 24.79 111.301 179.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -65.18 -31.11 72.12 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.183 -0.607 . . . . 28.4 111.502 177.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.4 -34.49 67.94 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.236 -0.586 . . . . 18.1 111.314 173.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.6 tp -67.7 -32.5 73.19 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.526 -0.47 . . . . 24.06 111.224 172.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.643 HG11 ' HG3' ' A' ' 127' ' ' GLU . 11.4 t -59.83 -53.41 48.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 121.084 0.469 . . . . 22.25 110.256 175.728 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -62.97 -30.94 71.97 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.601 -0.44 . . . . 35.68 111.679 179.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.5 m -68.33 -46.77 69.28 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.436 -0.506 . . . . 24.67 111.167 -179.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.7 p -82.47 -19.66 38.41 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 112.789 0.662 . . . . 28.08 112.789 -179.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.581 ' NH1' ' O ' ' A' ' 405' ' ' HOH . 38.1 ttm180 -81.01 -36.23 30.88 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 118.3 0.5 . . . . 38.27 111.479 177.643 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 19.3 m-30 -103.05 24.86 10.16 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 112.444 0.535 . . . . 35.28 112.444 -175.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.01 -12.35 49.4 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.269 -0.573 . . . . 45.14 112.141 170.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.475 ' HA ' HG22 ' A' ' 53' ' ' THR . 1.3 p30 -71.65 2.0 5.89 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 113.022 0.749 . . . . 59.91 113.022 176.064 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.7 mt -74.44 -26.36 60.01 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 118.898 0.772 . . . . 53.89 112.064 175.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -89.0 11.78 17.31 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 123.193 0.597 . . . . 47.05 112.565 178.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' THR . . . . . 0.512 HG21 HD11 ' A' ' 116' ' ' LEU . 6.1 t -143.13 -21.1 0.63 Allowed 'General case' 0 C--O 1.239 0.5 0 CA-C-N 118.152 0.433 . . . . 54.6 111.322 -175.584 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 97.7 p -157.25 111.7 2.69 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 109.062 -0.718 . . . . 70.15 109.062 -167.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -102.79 116.3 32.29 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.86 -1.163 . . . . 62.88 107.86 171.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 22.3 mt -93.71 -61.82 1.96 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 109.702 -0.481 . . . . 64.27 109.702 -171.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.5 t -144.38 160.58 40.8 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.897 -0.779 . . . . 51.49 108.897 -175.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.78 -41.68 87.28 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.455 -0.793 . . . . 38.45 110.939 175.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -66.14 -39.45 89.84 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.349 -0.54 . . . . 56.64 111.162 174.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -67.93 -38.73 83.22 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.56 -0.456 . . . . 39.89 111.268 179.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 93.9 m -71.57 -39.53 70.54 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.391 -0.524 . . . . 25.5 111.131 179.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.3 m -64.18 -42.83 96.53 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.489 -0.484 . . . . 28.29 111.466 -178.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 98.3 mmm -61.09 -40.61 94.37 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.252 -0.579 . . . . 43.64 111.237 179.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -64.39 -48.32 75.89 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.462 -0.495 . . . . 49.55 110.906 177.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.2 mt -64.14 -34.0 77.07 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.394 -0.522 . . . . 20.85 111.595 179.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 33.7 mt -72.06 -44.54 65.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 C-N-CA 120.311 -0.555 . . . . 27.19 110.414 177.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -56.54 -46.83 80.44 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 121.93 -0.481 . . . . 31.15 111.082 175.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.1 mt -67.02 -47.82 81.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 120.89 0.376 . . . . 20.99 110.517 -177.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.78 -33.99 77.29 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.276 -0.57 . . . . 21.34 111.436 -178.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.4 m -72.73 -46.19 54.86 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 119.804 -0.758 . . . . 37.55 111.562 -174.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 60.1 p -76.67 -31.07 57.06 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.096 0.406 . . . . 23.95 112.096 179.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -60.75 -41.94 96.43 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.324 -0.55 . . . . 20.88 110.7 170.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.37 -37.11 84.55 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.836 -0.345 . . . . 18.74 111.278 178.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.0 m -61.86 -39.93 93.59 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.246 -0.582 . . . . 24.98 110.944 176.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.5 -40.39 86.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 C-N-CA 120.714 -0.394 . . . . 20.76 110.454 177.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -62.13 -37.14 84.0 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.172 -0.611 . . . . 34.7 111.126 175.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.1 mp -75.29 -8.62 57.14 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 113.238 0.829 . . . . 35.1 113.238 -179.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 90.1 mt -101.75 -41.38 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 118.571 0.623 . . . . 31.85 111.677 179.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -102.7 -18.07 15.35 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 114.154 1.168 . . . . 28.13 114.154 -169.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -112.64 -87.76 0.55 Allowed 'General case' 0 C--O 1.247 0.969 0 N-CA-C 107.45 -1.315 . . . . 77.93 107.45 175.389 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -62.04 148.91 42.52 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 120.718 -1.238 . . . . 51.69 109.876 173.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 58.45 16.83 4.41 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 123.53 0.732 . . . . 42.9 112.514 178.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -65.48 -20.52 66.38 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 112.219 0.451 . . . . 42.21 112.219 179.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.68 -16.96 64.41 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 112.199 0.444 . . . . 25.5 112.199 176.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 18.3 p -98.72 -5.38 31.58 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 112.944 0.72 . . . . 26.5 112.944 175.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -71.82 115.73 11.38 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.77 -0.456 . . . . 29.82 109.77 178.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -80.92 72.09 7.9 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 122.573 1.177 . . . . 39.15 109.217 179.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -68.69 -21.39 74.79 Favored Glycine 0 C--N 1.334 0.456 0 CA-C-N 114.884 -1.053 . . . . 35.22 113.931 178.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -69.14 -19.39 64.02 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 117.739 0.77 . . . . 59.47 112.307 178.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -110.46 -28.11 8.69 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 113.465 0.913 . . . . 33.01 113.465 178.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -78.59 79.73 5.0 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 107.296 -1.372 . . . . 43.08 107.296 170.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 t -130.32 30.19 4.77 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.184 -0.916 . . . . 41.97 111.728 -171.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -75.26 122.83 24.28 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.411 -0.589 . . . . 33.06 109.411 177.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 19.6 mtm-85 -70.51 89.53 0.71 Allowed 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.83 -0.433 . . . . 89.41 109.83 177.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 12.9 m -74.64 -5.27 6.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 N-CA-C 113.758 1.021 . . . . 35.23 113.758 -171.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 14.4 pm0 -66.87 -27.55 67.61 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.464 -0.894 . . . . 40.58 111.338 176.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -75.33 3.42 9.04 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 112.585 0.587 . . . . 51.71 112.585 174.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.5 tt -113.95 -48.74 2.89 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.628 0.771 . . . . 31.19 112.325 179.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 12.1 mt -71.5 -34.42 52.97 Favored 'Isoleucine or valine' 0 C--O 1.238 0.477 0 C-N-CA 120.75 -0.38 . . . . 27.29 110.967 -179.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 14.7 t -64.38 -49.27 72.89 Favored Pre-proline 0 C--O 1.243 0.711 0 CA-C-O 118.558 -0.734 . . . . 30.38 111.846 179.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -65.08 -40.58 19.63 Favored 'Trans proline' 0 C--O 1.237 0.431 0 CA-C-N 121.145 1.445 . . . . 24.96 113.121 174.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.0 t -62.83 -44.42 99.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 121.151 0.5 . . . . 26.88 110.354 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -61.76 -44.4 97.95 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 119.925 -1.131 . . . . 26.84 112.255 177.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.31 -36.42 92.72 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 119.98 -1.105 . . . . 27.55 112.611 176.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 43.4 tp -66.13 -43.8 86.08 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 122.254 -0.556 . . . . 33.06 111.191 178.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 91.8 p -66.22 -25.87 67.11 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.423 -0.511 . . . . 35.51 111.478 176.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -71.6 -27.98 63.49 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.793 -0.363 . . . . 41.17 111.56 176.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.6 mp -104.41 -34.53 8.24 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 113.442 0.904 . . . . 33.31 113.442 -173.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.9 t -116.26 106.68 20.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 N-CA-C 107.707 -1.22 . . . . 24.11 107.707 -178.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -154.88 169.48 23.92 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.698 -0.852 . . . . 39.89 108.698 177.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -83.06 -13.67 55.35 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.521 -0.763 . . . . 42.32 112.861 177.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -169.98 136.49 1.5 Allowed 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 108.249 -1.019 . . . . 49.01 108.249 -178.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -83.02 70.62 10.06 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 122.822 1.296 . . . . 42.92 108.923 177.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.5 t -124.8 144.22 46.05 Favored Pre-proline 0 C--O 1.237 0.413 0 CA-C-N 114.354 -1.294 . . . . 50.41 108.746 178.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -54.99 -46.87 29.93 Favored 'Trans proline' 0 N--CA 1.477 0.522 0 N-CA-C 113.785 0.648 . . . . 39.98 113.785 -174.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.512 HD11 HG21 ' A' ' 53' ' ' THR . 8.3 mt -69.24 -35.99 76.71 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.194 -0.602 . . . . 39.31 111.36 179.889 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -70.28 -34.12 72.39 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.17 -0.612 . . . . 46.24 111.692 178.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.84 -43.79 93.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 C-N-CA 120.44 -0.504 . . . . 45.58 110.349 176.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.6 mt -73.87 -24.35 59.73 Favored 'General case' 0 C--O 1.236 0.344 0 O-C-N 121.853 -0.53 . . . . 34.41 112.326 -179.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -71.65 -42.31 67.69 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 119.841 -0.744 . . . . 27.84 110.767 170.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.2 m -64.03 -35.46 80.78 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.66 -0.416 . . . . 29.39 110.955 176.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -61.9 -44.47 96.72 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.45 -0.5 . . . . 26.0 111.088 175.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 16.3 p -64.48 -34.03 77.26 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.641 -0.423 . . . . 24.55 111.754 179.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.4 mp -71.23 -40.7 74.61 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 C-N-CA 120.412 -0.515 . . . . 23.55 110.389 179.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -73.26 -35.9 66.28 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 121.823 -0.548 . . . . 27.1 111.282 177.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 61.2 tp -70.21 -37.48 75.07 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.443 -0.503 . . . . 19.64 111.473 -178.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.643 ' HG3' HG11 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -66.03 -27.04 67.81 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 117.985 -1.007 . . . . 38.74 110.432 -179.092 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' SER . . . . . 0.509 ' HA ' ' HB2' ' A' ' 187' ' ' GLN . 59.5 p -72.03 -27.11 62.5 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 124.261 0.976 . . . . 27.35 111.828 -179.068 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.406 ' HB ' HD12 ' A' ' 132' ' ' LEU . 1.9 m -118.21 3.55 7.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 112.788 0.662 . . . . 21.12 112.788 -177.088 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.74 -20.01 66.1 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 118.612 0.642 . . . . 22.1 112.505 -177.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.567 HG13 HD13 ' A' ' 135' ' ' LEU . 3.9 tp -78.72 -6.67 9.6 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 112.662 0.616 . . . . 23.55 112.662 179.197 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.521 HD22 H11A ' A' ' 303' ' ' OLC . 20.5 mt -63.99 -43.05 73.75 Favored Pre-proline 0 C--O 1.243 0.746 0 CA-C-O 117.903 -1.046 . . . . 28.09 113.516 -173.225 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -62.83 -34.45 72.35 Favored 'Trans proline' 0 C--O 1.239 0.53 0 CA-C-N 121.64 1.621 . . . . 24.15 113.492 177.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -69.62 -37.86 77.01 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.358 -0.537 . . . . 25.86 111.172 177.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.567 HD13 HG13 ' A' ' 131' ' ' ILE . 2.4 mp -66.86 -38.28 86.05 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.401 -0.52 . . . . 28.25 111.085 176.352 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -59.39 -38.78 81.39 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.704 0.288 . . . . 47.56 110.947 173.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 8.3 ttt -70.01 -42.29 73.19 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 121.065 -0.254 . . . . 34.36 111.468 -177.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 6.4 mt -69.63 -43.88 79.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 C-N-CA 120.654 -0.418 . . . . 31.54 110.768 -177.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' SER . . . . . 0.543 ' HB2' H16A ' A' ' 303' ' ' OLC . 1.2 m -62.93 -33.98 76.48 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.984 -0.687 . . . . 34.08 111.049 -178.981 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -69.06 -53.54 19.87 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.637 -0.425 . . . . 51.48 111.245 179.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 75.8 p -87.52 -26.6 23.1 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 113.387 0.884 . . . . 44.66 113.387 -173.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 68.95 6.8 54.29 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-O 119.137 -0.813 . . . . 43.49 114.763 -169.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -124.58 148.58 47.75 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.346 1.073 . . . . 60.55 110.033 -177.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -155.34 77.5 1.0 Allowed 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.416 -0.811 . . . . 45.55 108.91 176.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -62.63 -47.8 82.14 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.429 -0.35 . . . . 63.34 111.712 -167.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.8 m -74.61 -12.52 60.47 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 112.952 0.723 . . . . 34.94 112.952 -174.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 22.0 mt -83.3 122.4 37.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 N-CA-C 108.936 -0.765 . . . . 35.63 108.936 -177.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 56.3 p -111.23 155.1 23.48 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.064 0.546 . . . . 30.93 110.327 -178.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 18.4 p -59.01 -43.59 91.57 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.5 -0.773 . . . . 37.89 111.853 -173.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -69.33 -23.29 63.77 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 119.986 -0.686 . . . . 62.22 112.256 -177.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -63.32 -38.69 92.12 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.997 -0.681 . . . . 29.66 110.797 170.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -69.12 -37.8 78.55 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.385 -0.526 . . . . 25.26 111.273 174.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -58.51 -44.97 89.69 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.734 -0.386 . . . . 37.42 111.384 -176.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -77.79 -15.3 59.19 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 112.433 0.531 . . . . 32.18 112.433 178.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 10.1 mt -76.74 -39.9 50.3 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.467 -0.493 . . . . 31.03 111.045 169.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -72.72 -41.78 48.97 Favored Glycine 0 C--N 1.334 0.458 0 C-N-CA 120.052 -1.071 . . . . 20.74 112.467 176.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' LEU . . . . . . . . . . . . . 19.5 tp -60.88 -31.94 71.4 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 122.305 -0.527 . . . . 30.99 111.309 175.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' TYR . . . . . 0.423 ' CD1' ' HB2' ' A' ' 12' ' ' HIS . 2.0 t80 -66.82 -49.25 66.38 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 120.663 0.268 . . . . 33.25 111.055 177.598 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -68.42 -35.96 78.4 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.066 -0.654 . . . . 28.03 111.271 178.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -70.35 -32.38 70.06 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.24 -0.584 . . . . 25.7 111.764 179.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 24.4 mt -75.13 -29.24 60.47 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.751 -0.78 . . . . 28.05 111.451 178.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.494 ' HA ' ' HB3' ' A' ' 165' ' ' ASN . 3.7 m-85 -73.17 -23.11 60.4 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.167 -0.613 . . . . 40.07 111.783 172.598 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -60.4 -47.99 83.68 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.92 0.391 . . . . 36.45 110.51 168.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' VAL . . . . . . . . . . . . . 20.3 t -69.06 -33.5 59.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 C-N-CA 120.663 -0.415 . . . . 31.1 110.635 176.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' ASN . . . . . 0.494 ' HB3' ' HA ' ' A' ' 162' ' ' TYR . 4.3 t-20 -60.42 -38.7 84.88 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.511 -0.476 . . . . 35.73 111.229 178.616 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' TRP . . . . . . . . . . . . . 31.8 m0 -67.09 -35.11 79.09 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.437 -0.505 . . . . 35.09 111.35 178.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 74.9 mt -77.39 -48.35 24.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 C-N-CA 120.757 -0.377 . . . . 50.39 110.847 -176.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' TRP . . . . . . . . . . . . . 48.8 t90 -61.31 -36.83 81.17 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.41 -0.516 . . . . 81.79 111.108 178.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' ARG . . . . . 0.582 ' HG3' ' HB3' ' A' ' 175' ' ' PHE . 8.0 tpt180 -62.93 -41.78 99.59 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.679 -0.408 . . . . 53.53 111.322 179.741 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -73.78 -43.42 59.0 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.969 -0.693 . . . . 66.63 111.548 -176.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -74.9 -30.61 61.33 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.001 -0.68 . . . . 52.65 112.137 -172.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -103.33 -9.72 19.24 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 113.597 0.962 . . . . 68.44 113.597 -176.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -133.58 -8.09 2.85 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 114.247 1.203 . . . . 75.16 114.247 179.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 67.77 11.9 61.15 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 119.251 0.932 . . . . 56.45 114.709 -174.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.582 ' HB3' ' HG3' ' A' ' 169' ' ' ARG . 62.2 t80 -89.47 135.11 33.78 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 118.069 0.935 . . . . 47.67 109.923 -177.391 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -148.43 132.43 17.2 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.385 -0.968 . . . . 42.92 108.385 176.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -119.35 102.77 8.92 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 107.935 -1.135 . . . . 40.44 107.935 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -61.46 -39.21 90.03 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.533 -0.467 . . . . 46.21 111.17 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 81.2 mt -65.12 -49.29 80.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 121.209 0.528 . . . . 30.34 110.544 -177.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -70.29 -38.97 75.13 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.298 -0.561 . . . . 27.6 111.516 -177.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 181' ' ' VAL . . . . . . . . . . . . . 13.6 t -67.44 -46.78 82.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 C-N-CA 120.63 -0.428 . . . . 27.89 110.599 -177.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 20.9 t -60.91 -47.8 91.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 CA-C-O 121.151 0.501 . . . . 28.34 110.427 -179.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -63.21 -35.21 79.55 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.319 -0.552 . . . . 27.63 111.159 177.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -65.97 -34.89 89.79 Favored Glycine 0 C--N 1.335 0.507 0 C-N-CA 120.221 -0.99 . . . . 22.88 113.188 177.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 60.5 t -66.12 -38.98 83.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-N 117.338 0.569 . . . . 36.72 110.331 175.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 186' ' ' VAL . . . . . . . . . . . . . 39.6 t -63.3 -43.31 98.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 O-C-N 121.888 -0.508 . . . . 23.51 110.427 175.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 187' ' ' GLN . . . . . 0.509 ' HB2' ' HA ' ' A' ' 128' ' ' SER . 63.1 tt0 -64.62 -38.74 92.03 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 121.976 -0.453 . . . . 31.06 111.273 179.882 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 94.3 m -68.81 -42.58 77.06 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.334 -0.546 . . . . 27.31 111.361 -178.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 27.3 t -60.74 -43.25 94.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 C-N-CA 120.549 -0.46 . . . . 20.64 110.488 178.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 65.6 mt -69.1 -29.2 67.23 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.308 -0.557 . . . . 24.06 111.787 178.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 191' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -74.96 -28.0 60.4 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.226 -0.59 . . . . 33.7 111.929 -178.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 192' ' ' CYS . . . . . . . . . . . . . 67.1 m -71.94 -37.14 70.05 Favored 'General case' 0 C--O 1.186 -2.243 0 C-N-CA 124.934 1.293 . . . . 39.61 108.062 175.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -64.05 -36.45 84.06 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 125.386 1.679 . . . . 48.07 110.54 172.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -59.27 -50.51 73.72 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 120.74 0.305 . . . . 32.72 110.822 170.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 195' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -65.64 -40.91 93.02 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.489 -0.484 . . . . 28.8 111.385 -179.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 196' ' ' TYR . . . . . 0.444 ' CZ ' HG21 ' A' ' 200' ' ' THR . 86.4 t80 -63.99 -44.54 92.36 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.385 -0.526 . . . . 42.79 111.242 179.753 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 197' ' ' LEU . . . . . . . . . . . . . 21.4 mt -62.72 -37.65 87.37 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.551 -0.46 . . . . 38.18 111.274 179.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 198' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -64.61 -46.44 82.64 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.455 -0.498 . . . . 38.97 111.038 179.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 199' ' ' VAL . . . . . . . . . . . . . 42.1 t -67.35 -42.73 87.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 C-N-CA 120.547 -0.461 . . . . 41.11 110.765 -178.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 200' ' ' THR . . . . . 0.444 HG21 ' CZ ' ' A' ' 196' ' ' TYR . 72.5 p -82.06 -32.4 30.37 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 113.013 0.745 . . . . 35.73 113.013 -172.393 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -111.32 -41.91 4.03 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.864 1.061 . . . . 42.82 113.864 -174.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' VAL . . . . . . . . . . . . . 4.8 t -84.27 -69.29 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 118.486 0.585 . . . . 47.8 109.481 -179.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.505 -0.316 . . . . 56.81 111.617 -177.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' OLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' OLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' OLC . . . . . 0.543 H16A ' HB2' ' A' ' 139' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 405' ' ' HOH . . . . . 0.581 ' O ' ' NH1' ' A' ' 47' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 406' ' ' HOH . . . . . 0.531 ' O ' ' NH2' ' A' ' 27' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 412' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 419' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 421' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 423' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 425' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 426' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 428' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 429' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 430' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 431' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 432' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 433' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 434' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 435' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 436' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 437' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 438' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 439' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 440' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 441' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 442' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 443' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 444' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 445' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 446' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 447' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 448' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 449' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 450' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 451' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 452' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 453' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_