data_6j5e_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 6j5e _Structure_validation_residue.Date_analyzed 2020-01-10 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 ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.164 0 N-CA-C 109.825 -0.435 . . . . 132.6 109.825 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 31' ' ' ARG . . . . . . . . . . . . . 7.6 mtm105 -84.53 2.48 40.96 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 112.195 0.443 . . . . 133.88 112.195 168.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 32' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -63.28 -37.87 88.94 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 117.982 0.355 . . . . 142.84 110.902 169.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 33' ' ' LEU . . . . . . . . . . . . . 26.7 tp -90.15 -34.52 15.82 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 112.636 0.606 . . . . 102.9 112.636 -173.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 60.5 mt -61.5 -31.45 71.44 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 119.957 -0.697 . . . . 119.34 110.866 168.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 35' ' ' SER . . . . . . . . . . . . . 30.5 t -68.13 -40.73 82.39 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.672 -0.411 . . . . 101.58 111.155 176.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.91 -30.45 70.2 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.261 -0.971 . . . . 102.3 112.781 177.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 37' ' ' ILE . . . . . . . . . . . . . 45.5 mt -71.47 -47.2 60.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 117.225 0.512 . . . . 106.02 110.348 178.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 38' ' ' VAL . . . . . . . . . . . . . 54.5 t -56.62 -40.91 72.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 C-N-CA 120.437 -0.505 . . . . 76.5 110.29 179.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 39' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -62.63 -43.99 97.42 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 121.867 -0.521 . . . . 115.15 110.959 175.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 40' ' ' GLN . . . . . . . . . . . . . 17.4 tp60 -59.78 -41.84 92.04 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.783 -0.367 . . . . 99.18 110.95 177.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 41' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -54.24 -39.1 66.49 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.824 -0.35 . . . . 90.78 111.116 175.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 42' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -61.86 -50.05 73.81 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.64 -0.424 . . . . 85.06 110.707 179.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 43' ' ' ASN . . . . . . . . . . . . . 32.4 m-20 -61.27 -42.16 98.16 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.422 -0.511 . . . . 88.75 111.094 -178.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 44' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.88 -47.94 81.15 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.297 -0.561 . . . . 87.78 110.696 178.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 45' ' ' LEU . . . . . . . . . . . . . 10.8 tp -56.13 -47.58 77.86 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.366 -0.534 . . . . 80.14 110.836 177.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 46' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -67.44 -28.08 67.58 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.337 -0.545 . . . . 107.25 111.654 -178.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.87 -45.13 75.4 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.01 -0.676 . . . . 59.76 110.797 172.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 48' ' ' ILE . . . . . . . . . . . . . 38.5 mm -53.96 -42.08 52.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 CA-C-O 121.105 0.478 . . . . 74.94 110.391 174.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 49' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -71.12 -41.51 70.44 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 121.871 -0.518 . . . . 78.71 111.295 -176.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.89 -40.79 95.66 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.062 -0.655 . . . . 66.23 111.016 177.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 51' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -65.36 -30.49 71.33 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.138 -0.625 . . . . 63.64 111.55 177.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -66.75 -43.54 83.84 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.485 -0.486 . . . . 73.9 111.161 178.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 53' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -58.36 -39.24 79.02 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.288 -0.565 . . . . 89.39 110.716 172.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 54' ' ' LEU . . . . . . . . . . . . . 10.8 tp -67.04 -35.77 80.61 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.463 -0.495 . . . . 81.33 110.73 179.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 55' ' ' LEU . . . . . . . . . . . . . 5.9 mt -66.33 -48.77 69.23 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.921 -0.312 . . . . 71.34 111.157 176.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 56' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -57.97 -38.58 76.31 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.229 -0.588 . . . . 124.13 110.972 178.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 57' ' ' LEU . . . . . . . . . . . . . 57.0 mt -61.24 -38.88 88.25 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.761 -0.376 . . . . 69.46 111.396 177.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 58' ' ' THR . . . . . . . . . . . . . 51.5 p -71.75 -34.23 69.32 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 119.862 -0.735 . . . . 64.71 111.43 179.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 59' ' ' VAL . . . . . . . . . . . . . 90.1 t -59.57 -47.37 91.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 CA-C-O 121.375 0.607 . . . . 62.96 109.963 172.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 60' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -54.97 -46.18 75.02 Favored 'General case' 0 C--O 1.237 0.444 0 O-C-N 122.034 -0.416 . . . . 78.05 111.218 179.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.84 -41.98 99.76 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 120.025 -1.083 . . . . 65.02 112.49 178.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 62' ' ' ILE . . . . . . . . . . . . . 86.2 mt -60.52 -45.44 97.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 O-C-N 122.264 -0.551 . . . . 65.39 110.294 177.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 63' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -65.22 -33.7 76.61 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.068 -0.653 . . . . 105.99 111.71 -178.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 64' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -72.18 -47.03 53.78 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.382 -0.527 . . . . 84.1 110.854 179.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 65' ' ' LEU . . . . . 0.431 ' O ' HG12 ' G' ' 69' ' ' ILE . 77.0 mt -66.2 -36.99 84.5 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.361 -0.536 . . . . 75.43 111.062 179.678 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' G' G ' 66' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -68.33 -39.12 82.04 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.343 -0.543 . . . . 99.54 111.274 -178.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.26 -43.39 77.91 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.214 -0.594 . . . . 86.89 111.27 179.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 68' ' ' ARG . . . . . . . . . . . . . 53.0 tpt85 -59.85 -27.84 67.0 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.792 -0.363 . . . . 149.33 111.741 -178.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 69' ' ' ILE . . . . . 0.431 HG12 ' O ' ' G' ' 65' ' ' LEU . 49.9 pt . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.987 0.422 . . . . 123.18 109.889 177.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 116' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 . . . . . . . . 73.42 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 117' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -77.71 -32.59 53.01 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.861 1.06 . . . . 97.25 113.861 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 118' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -80.42 -33.89 36.6 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.304 -0.958 . . . . 112.9 111.849 178.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 119' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -64.92 -31.33 72.52 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.043 -0.663 . . . . 95.73 110.699 166.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 120' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -63.15 -54.11 42.77 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.741 0.305 . . . . 73.57 110.918 174.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 121' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -52.66 -31.25 36.09 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.528 -0.469 . . . . 84.6 111.303 172.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -47.15 47.98 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.828 0.347 . . . . 131.32 111.087 -177.03 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' H' H ' 123' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -71.57 -27.36 63.09 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 120.817 -0.353 . . . . 99.23 111.596 179.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 124' ' ' ILE . . . . . . . . . . . . . 14.9 mm -61.31 -61.3 1.64 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-O 121.348 0.595 . . . . 74.79 110.175 176.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 125' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -66.8 -22.01 66.03 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 121.89 -0.506 . . . . 126.1 112.044 -178.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 126' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -65.78 -47.63 74.52 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.549 -0.46 . . . . 103.66 110.853 174.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 127' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -77.05 -32.02 56.57 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.391 0.515 . . . . 84.89 112.391 178.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 128' ' ' THR . . . . . . . . . . . . . 41.3 m -58.92 -45.05 91.28 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.181 -0.608 . . . . 79.02 110.672 174.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 129' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -58.8 -46.72 86.93 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.487 -0.485 . . . . 113.5 110.608 172.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 130' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -59.96 -37.32 79.23 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 122.287 -0.258 . . . . 98.49 111.308 -177.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 131' ' ' ILE . . . . . . . . . . . . . 57.4 mt -74.24 -48.89 35.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-O 121.014 0.435 . . . . 80.84 110.348 -178.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 132' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -55.72 -34.97 65.61 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.461 -0.495 . . . . 130.27 111.207 -177.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 133' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -70.55 -43.1 70.21 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.207 -0.597 . . . . 129.17 111.157 177.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 134' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.2 -36.59 84.58 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.182 -0.607 . . . . 80.49 110.984 177.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 135' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.87 -36.73 76.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 C-N-CA 120.112 -0.635 . . . . 82.4 110.118 173.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 136' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -64.45 -53.06 54.29 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 121.888 -0.508 . . . . 119.41 110.879 176.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 137' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -56.14 -31.09 63.02 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.659 -0.416 . . . . 135.26 111.726 179.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 138' ' ' SER . . . . . . . . . . . . . 40.5 m -78.3 -41.61 33.31 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.736 -0.386 . . . . 91.42 111.678 -174.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 139' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -62.98 -46.35 88.12 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.186 -0.605 . . . . 89.51 110.717 178.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 140' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -60.27 -39.25 86.18 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.298 -0.561 . . . . 103.8 110.889 177.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 141' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -70.71 -36.82 73.41 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.531 -0.467 . . . . 109.54 111.053 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 142' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -59.48 -41.05 88.89 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.249 -0.58 . . . . 74.27 110.756 173.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 143' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -62.72 -33.76 75.77 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.805 -0.358 . . . . 149.03 111.551 -179.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 144' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -60.15 -53.56 56.29 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.511 -0.476 . . . . 101.35 110.97 175.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 145' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 104.78 111.796 -171.379 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.736 0.303 . . . . 113.35 110.889 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 5.2 tt -73.47 -38.33 65.46 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.855 -0.738 . . . . 111.07 110.969 179.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 35' ' ' SER . . . . . . . . . . . . . 82.6 p -59.08 -24.65 63.1 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 119.99 -0.684 . . . . 102.1 111.549 171.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.74 -32.63 49.55 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 120.521 -0.847 . . . . 79.74 113.567 176.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -69.73 -39.54 78.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-N 117.584 0.692 . . . . 92.0 110.297 175.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 38' ' ' VAL . . . . . . . . . . . . . 76.8 t -65.17 -35.96 76.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 O-C-N 121.792 -0.568 . . . . 78.68 110.754 -179.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 39' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -77.99 -27.3 49.02 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 119.46 -0.896 . . . . 122.84 111.572 177.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 40' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 -64.57 -35.5 81.2 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 119.876 -0.73 . . . . 84.96 110.817 170.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 41' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -60.37 -40.74 91.9 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.424 -0.51 . . . . 115.8 110.924 172.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 42' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -68.44 -39.05 81.67 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.573 -0.451 . . . . 80.52 111.156 -179.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 43' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -60.64 -51.07 70.96 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.64 -0.424 . . . . 78.23 110.843 176.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 44' ' ' LEU . . . . . . . . . . . . . 73.0 mt -58.4 -41.99 86.16 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.563 -0.455 . . . . 85.35 111.019 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 45' ' ' LEU . . . . . . . . . . . . . 63.4 tp -61.55 -48.78 79.44 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.425 -0.51 . . . . 84.23 111.012 -178.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 46' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.81 -32.54 74.29 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.404 -0.519 . . . . 144.57 111.592 179.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.98 -43.76 86.9 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.506 -0.477 . . . . 55.01 111.101 175.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 48' ' ' ILE . . . . . . . . . . . . . 90.1 mt -59.54 -40.29 81.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 121.007 0.432 . . . . 67.86 110.181 175.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 49' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -64.63 -38.74 92.04 Favored 'General case' 0 C--O 1.237 0.411 0 O-C-N 121.986 -0.446 . . . . 76.5 111.229 178.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.49 -43.38 81.08 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.017 -0.673 . . . . 64.86 110.759 175.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 51' ' ' GLN . . . . . 0.55 ' OE1' ' NE2' ' K' ' 52' ' ' GLN . 0.3 OUTLIER -54.49 -36.22 63.94 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 120.399 -0.52 . . . . 68.61 110.853 174.817 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -73.12 -35.19 66.51 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.373 -0.531 . . . . 64.33 111.258 -176.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 53' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -60.43 -39.1 86.21 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 119.993 -0.683 . . . . 75.67 110.787 172.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 54' ' ' LEU . . . . . . . . . . . . . 68.5 mt -70.03 -40.43 75.18 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.145 -0.622 . . . . 65.51 111.244 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 55' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.12 -43.85 91.98 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 119.807 -0.757 . . . . 59.62 110.94 174.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 56' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -52.63 -44.64 66.22 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.932 0.396 . . . . 60.63 110.892 175.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 57' ' ' LEU . . . . . . . . . . . . . 52.8 mt -67.72 -42.48 81.86 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.782 -0.367 . . . . 58.66 111.716 -176.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 58' ' ' THR . . . . . . . . . . . . . 48.0 p -69.67 -34.75 74.4 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.556 -0.858 . . . . 60.47 111.473 -179.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 59' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.82 -42.23 94.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 120.458 -0.497 . . . . 66.36 110.386 175.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 60' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -58.25 -48.89 79.01 Favored 'General case' 0 C--O 1.237 0.416 0 O-C-N 121.841 -0.537 . . . . 79.93 110.705 175.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.3 -46.28 94.11 Favored Glycine 0 C--N 1.335 0.523 0 C-N-CA 120.369 -0.919 . . . . 52.76 112.628 -179.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 62' ' ' ILE . . . . . . . . . . . . . 67.6 mt -60.19 -33.04 52.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 O-C-N 122.104 -0.645 . . . . 64.51 110.32 178.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 63' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -73.04 -39.05 66.25 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.195 -0.602 . . . . 100.72 111.312 -178.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 64' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -62.42 -40.78 97.66 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.937 -0.705 . . . . 94.12 110.863 176.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 65' ' ' LEU . . . . . . . . . . . . . 88.3 mt -71.04 -37.74 72.55 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.607 -0.437 . . . . 70.36 111.334 179.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 66' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -62.15 -52.19 64.82 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.708 -0.397 . . . . 112.53 111.067 -177.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.91 -24.19 67.45 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.302 -0.559 . . . . 106.4 111.992 178.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 68' ' ' ARG . . . . . . . . . . . . . 53.6 tpt85 -78.31 -22.72 47.73 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 112.469 0.544 . . . . 124.97 112.469 178.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 69' ' ' ILE . . . . . . . . . . . . . 48.4 mt . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 109.841 -0.429 . . . . 98.85 109.841 -174.122 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 117' ' ' TRP . . . . . . . . . . . . . 56.4 m95 . . . . . 0 CA--C 1.523 -0.07 0 N-CA-C 111.784 0.29 . . . . 84.43 111.784 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 118' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -62.51 -39.52 93.79 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.728 -0.789 . . . . 131.98 110.853 178.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 119' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -65.36 -31.42 72.54 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.306 -0.558 . . . . 112.6 111.076 172.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 120' ' ' TRP . . . . . . . . . . . . . 86.9 t90 -64.32 -45.9 85.88 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.844 0.354 . . . . 63.67 110.794 178.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -61.46 -34.6 75.72 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.309 -0.557 . . . . 93.12 111.146 178.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 122' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -68.96 -47.13 66.38 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.501 -0.48 . . . . 130.73 111.022 179.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 123' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -61.91 -33.52 74.39 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.856 -0.338 . . . . 129.49 111.456 178.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 124' ' ' ILE . . . . . . . . . . . . . 23.9 mm -60.87 -61.22 1.65 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.253 0.549 . . . . 72.32 109.928 174.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 125' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -54.63 -39.6 68.1 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.777 -0.369 . . . . 108.82 111.348 179.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 126' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.41 -60.21 3.85 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.961 0.41 . . . . 110.07 110.928 178.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 127' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -71.94 -30.45 65.33 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.476 -0.489 . . . . 86.19 111.913 -175.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 128' ' ' THR . . . . . . . . . . . . . 80.9 m -57.89 -53.69 55.39 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.33 -0.548 . . . . 75.76 110.726 173.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 129' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -59.24 -40.0 84.53 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.477 -0.489 . . . . 141.22 111.093 179.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 130' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -68.12 -35.22 77.76 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.525 -0.47 . . . . 147.76 111.689 -178.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 131' ' ' ILE . . . . . . . . . . . . . 30.7 mt -68.03 -46.04 82.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 C-N-CA 120.363 -0.535 . . . . 77.9 110.165 178.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 132' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.55 -28.73 69.84 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 119.821 -0.752 . . . . 125.53 111.573 -177.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 133' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -67.54 -52.22 41.48 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.076 -0.649 . . . . 126.54 110.567 172.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 134' ' ' LEU . . . . . . . . . . . . . 64.7 mt -55.47 -41.21 72.63 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 120.934 -0.306 . . . . 72.56 111.266 179.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 135' ' ' ILE . . . . . . . . . . . . . 44.2 mt -62.25 -44.82 99.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 C-N-CA 120.368 -0.533 . . . . 76.8 110.3 176.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 136' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.55 -49.6 77.13 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 121.861 -0.524 . . . . 133.45 110.992 178.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 137' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.31 -29.55 69.15 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.686 -0.406 . . . . 128.5 111.873 -178.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 138' ' ' SER . . . . . . . . . . . . . 64.6 m -75.06 -32.06 61.41 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.566 -0.454 . . . . 81.71 111.991 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 139' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -75.96 -25.25 55.7 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 112.257 0.466 . . . . 108.05 112.257 178.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 140' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -74.15 -43.53 57.04 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.416 -0.514 . . . . 121.21 110.987 172.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 141' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -60.16 -34.47 73.62 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.446 -0.502 . . . . 97.03 110.807 173.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 142' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -70.97 -43.67 67.58 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.37 -0.532 . . . . 86.4 110.917 176.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 143' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -74.38 58.58 0.75 Allowed 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.841 -0.8 . . . . 144.99 108.841 174.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 144' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -166.73 -69.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 106.728 -1.582 . . . . 113.73 106.728 -175.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 145' ' ' ASN . . . . . . . . . . . . . 6.8 m120 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.312 -0.404 . . . . 93.99 111.672 -177.523 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 29' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.612 0.244 . . . . 146.45 110.895 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.17 -14.52 60.96 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.106 -0.638 . . . . 131.52 112.214 175.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 31' ' ' ARG . . . . . . . . . . . . . 39.1 ttm105 -76.69 -17.59 59.03 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 118.32 0.509 . . . . 147.35 111.974 173.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 32' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -82.47 -40.5 21.03 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.81 -0.356 . . . . 135.98 110.819 173.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 33' ' ' LEU . . . . . . . . . . . . . 32.1 tp -66.0 -46.86 76.44 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.719 -0.392 . . . . 115.91 110.749 175.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.51 -35.34 73.97 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.612 -0.435 . . . . 115.37 111.499 178.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 35' ' ' SER . . . . . . . . . . . . . 48.4 t -74.26 -38.06 63.57 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.334 -0.546 . . . . 108.98 111.182 -179.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.63 -25.32 75.9 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 120.405 -0.902 . . . . 87.14 113.165 179.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 37' ' ' ILE . . . . . . . . . . . . . 88.2 mt -74.31 -42.34 50.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-N 117.434 0.617 . . . . 91.6 110.44 179.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 38' ' ' VAL . . . . . . . . . . . . . 50.0 t -62.83 -41.67 93.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 O-C-N 121.787 -0.57 . . . . 83.48 110.061 174.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 39' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -57.84 -44.45 86.51 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 121.941 -0.474 . . . . 100.29 110.705 173.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 40' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -63.99 -39.44 94.12 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.915 -0.314 . . . . 86.19 111.29 -179.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 41' ' ' GLN . . . . . 0.637 ' OE1' ' O ' ' K' ' 102' ' ' HOH . 86.2 mt-30 -66.33 -37.01 84.36 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.142 -0.623 . . . . 80.03 111.337 -176.502 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' K' K ' 42' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -68.48 -35.44 77.53 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.831 -0.748 . . . . 88.15 110.77 176.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 43' ' ' ASN . . . . . 0.659 ' OD1' ' O ' ' K' ' 101' ' ' HOH . 86.5 m-20 -59.86 -53.47 57.5 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.595 -0.442 . . . . 88.15 110.819 175.057 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' K' K ' 44' ' ' LEU . . . . . . . . . . . . . 28.4 mt -57.97 -39.62 78.58 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.67 -0.412 . . . . 77.48 111.179 179.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 45' ' ' LEU . . . . . . . . . . . . . 18.4 tp -65.5 -43.36 90.41 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.398 -0.521 . . . . 66.72 111.098 -178.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 46' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -65.49 -34.33 78.02 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.25 -0.58 . . . . 129.86 111.236 178.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.2 93.0 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.196 -0.602 . . . . 74.6 110.833 175.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 48' ' ' ILE . . . . . . . . . . . . . 64.6 mt -59.21 -43.88 90.64 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-O 120.982 0.42 . . . . 70.09 110.479 177.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 49' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.94 -48.86 79.88 Favored 'General case' 0 C--O 1.236 0.389 0 O-C-N 121.802 -0.561 . . . . 66.36 111.141 179.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.51 -45.79 90.71 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.29 -0.564 . . . . 62.02 111.029 177.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 51' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -60.33 -34.0 73.21 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.368 -0.533 . . . . 75.57 111.574 177.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 52' ' ' GLN . . . . . 0.55 ' NE2' ' OE1' ' I' ' 51' ' ' GLN . 6.4 tp-100 -67.37 -40.31 85.73 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.865 -0.734 . . . . 61.6 110.893 177.407 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' K' K ' 53' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -61.67 -44.4 97.03 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.133 -0.627 . . . . 98.18 110.742 173.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 54' ' ' LEU . . . . . . . . . . . . . 29.0 tp -60.24 -36.59 78.11 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.374 -0.53 . . . . 79.34 111.019 177.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 55' ' ' LEU . . . . . . . . . . . . . 8.6 tt -71.15 -35.98 71.88 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.269 -0.573 . . . . 81.13 111.434 -179.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 56' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -67.91 -29.3 68.36 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.53 -0.868 . . . . 76.74 111.391 178.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 57' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.18 -43.07 96.23 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.96 -0.696 . . . . 73.25 110.691 168.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 58' ' ' THR . . . . . . . . . . . . . 58.9 m -54.7 -40.7 69.45 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 120.747 0.308 . . . . 88.47 111.105 176.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 59' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.8 -41.73 82.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 O-C-N 122.183 -0.323 . . . . 54.18 110.676 -177.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 60' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -54.98 -48.34 73.41 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 121.821 -0.549 . . . . 77.53 110.762 175.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.43 -43.78 97.18 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 120.259 -0.972 . . . . 58.05 112.91 -178.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 62' ' ' ILE . . . . . . . . . . . . . 58.2 mt -64.17 -44.42 97.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 O-C-N 122.112 -0.64 . . . . 53.51 110.523 -179.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 63' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -63.21 -38.47 91.28 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.363 -0.535 . . . . 117.43 110.796 177.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 64' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -64.82 -38.39 90.82 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.6 0.238 . . . . 88.43 111.292 179.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 65' ' ' LEU . . . . . . . . . . . . . 93.2 mt -74.97 -36.29 62.05 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.743 -0.383 . . . . 83.45 111.397 177.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 66' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -59.35 -48.0 83.29 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.559 -0.456 . . . . 104.65 110.611 174.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.58 -40.51 79.16 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.756 -0.378 . . . . 70.87 111.459 178.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -41.37 99.05 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.094 -0.642 . . . . 123.78 111.259 179.572 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' K' K ' 69' ' ' ILE . . . . . . . . . . . . . 1.1 mp -66.57 -42.92 90.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 C-N-CA 120.517 -0.473 . . . . 85.65 110.417 178.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.387 0 O-C-N 121.869 -0.52 . . . . 94.95 110.993 177.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 116' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 . . . . . . . . 66.78 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' L' L ' 117' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -76.11 -33.1 59.47 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.487 0.551 . . . . 84.91 112.487 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 118' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' L' ' 119' ' ' GLU . 0.7 OUTLIER -52.29 -51.46 58.43 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 119.878 -0.729 . . . . 128.29 110.47 167.69 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' L' L ' 119' ' ' GLU . . . . . 0.408 ' N ' ' HG2' ' L' ' 118' ' ' GLU . 4.3 tm-20 -66.28 -44.71 82.8 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.297 -0.41 . . . . 127.62 110.699 -175.592 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' L' L ' 120' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -49.43 -47.65 47.9 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.881 0.372 . . . . 79.43 110.868 171.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.68 -44.07 85.53 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 122.102 -0.374 . . . . 94.5 111.354 176.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 122' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -56.7 -54.18 49.13 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.509 -0.476 . . . . 140.71 111.026 177.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 123' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -67.53 -35.83 79.84 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.541 -0.464 . . . . 137.1 111.73 -172.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 124' ' ' ILE . . . . . . . . . . . . . 14.3 mm -57.17 -60.42 2.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 120.257 -0.577 . . . . 80.35 110.005 177.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 125' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.94 -38.05 78.13 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.239 -0.585 . . . . 125.88 111.312 -179.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 126' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.3 -56.04 24.99 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.454 -0.498 . . . . 119.59 111.053 -178.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 127' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -69.41 -25.76 64.3 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.191 -0.604 . . . . 89.84 111.814 -179.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 128' ' ' THR . . . . . . . . . . . . . 55.1 m -62.32 -50.67 70.7 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.451 -0.499 . . . . 71.26 110.694 172.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 129' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -57.03 -42.1 79.82 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.32 -0.552 . . . . 124.71 110.963 175.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 130' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -58.3 -55.34 36.21 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.563 -0.455 . . . . 116.13 111.188 -179.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 131' ' ' ILE . . . . . . . . . . . . . 11.5 tt -63.02 -33.54 61.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 C-N-CA 119.786 -0.766 . . . . 78.77 110.912 -175.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 132' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -73.19 -23.65 60.44 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 119.525 -0.87 . . . . 122.85 112.224 -179.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 133' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -75.53 -36.55 60.45 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.201 -0.6 . . . . 120.22 110.974 170.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 134' ' ' LEU . . . . . . . . . . . . . 17.6 mt -67.32 -36.52 81.64 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.289 -0.565 . . . . 77.6 111.026 176.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 135' ' ' ILE . . . . . . . . . . . . . 75.3 mt -62.7 -48.41 88.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 120.408 -0.517 . . . . 82.71 110.287 177.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 136' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.28 -37.89 89.02 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 119.962 -0.695 . . . . 128.46 110.986 178.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 137' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.86 -30.34 70.93 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.197 -0.601 . . . . 135.89 111.281 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 138' ' ' SER . . . . . . . . . . . . . 67.7 m -79.09 -33.42 44.5 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 111.977 0.362 . . . . 82.9 111.977 177.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 139' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -62.76 -34.96 78.31 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.149 -0.62 . . . . 109.56 110.943 174.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 140' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -66.96 -58.11 5.6 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.956 0.408 . . . . 113.92 111.031 176.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 141' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -58.19 -30.19 66.25 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.778 -0.369 . . . . 113.58 111.956 -178.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 142' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -68.54 -42.87 77.84 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.023 -0.671 . . . . 94.68 111.141 -179.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 143' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -67.87 -40.28 83.63 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.449 -0.5 . . . . 136.04 111.026 178.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 144' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -57.15 -58.34 8.63 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.002 0.43 . . . . 143.92 110.755 174.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' L' L ' 145' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 . . . . . 0 C--N 1.331 -0.227 0 O-C-N 122.17 -0.331 . . . . 91.33 111.596 177.085 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 101' ' ' HOH . . . . . 0.659 ' O ' ' OD1' ' K' ' 43' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 102' ' ' HOH . . . . . 0.637 ' O ' ' OE1' ' K' ' 41' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.164 0 N-CA-C 109.825 -0.435 . . . . 110.5 109.825 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 31' ' ' ARG . . . . . . . . . . . . . 7.6 mtm105 -84.53 2.48 40.96 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 112.195 0.443 . . . . 111.57 112.195 168.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 32' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -63.28 -37.87 88.94 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 117.982 0.355 . . . . 119.04 110.902 169.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 33' ' ' LEU . . . . . . . . . . . . . 26.7 tp -90.15 -34.52 15.82 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 112.636 0.606 . . . . 85.75 112.636 -173.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 60.5 mt -61.5 -31.45 71.44 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 119.957 -0.697 . . . . 99.45 110.866 168.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 35' ' ' SER . . . . . . . . . . . . . 30.5 t -68.13 -40.73 82.39 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.672 -0.411 . . . . 84.65 111.155 176.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.91 -30.45 70.2 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.261 -0.971 . . . . 85.25 112.781 177.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 37' ' ' ILE . . . . . . . . . . . . . 45.5 mt -71.47 -47.2 60.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 117.225 0.512 . . . . 88.35 110.348 178.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 38' ' ' VAL . . . . . . . . . . . . . 54.5 t -56.62 -40.91 72.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 C-N-CA 120.437 -0.505 . . . . 64.29 110.29 179.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 39' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -62.63 -43.99 97.42 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 121.867 -0.521 . . . . 95.95 110.959 175.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 40' ' ' GLN . . . . . . . . . . . . . 17.4 tp60 -59.78 -41.84 92.04 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.783 -0.367 . . . . 82.65 110.95 177.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 41' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -54.24 -39.1 66.49 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.824 -0.35 . . . . 90.78 111.116 175.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 42' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -61.86 -50.05 73.81 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.64 -0.424 . . . . 70.88 110.707 179.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 43' ' ' ASN . . . . . . . . . . . . . 32.4 m-20 -61.27 -42.16 98.16 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.422 -0.511 . . . . 73.96 111.094 -178.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 44' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.88 -47.94 81.15 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.297 -0.561 . . . . 73.15 110.696 178.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 45' ' ' LEU . . . . . . . . . . . . . 10.8 tp -56.13 -47.58 77.86 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.366 -0.534 . . . . 66.78 110.836 177.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 46' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -67.44 -28.08 67.58 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.337 -0.545 . . . . 99.46 111.654 -178.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.87 -45.13 75.4 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.01 -0.676 . . . . 51.73 110.797 172.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 48' ' ' ILE . . . . . . . . . . . . . 38.5 mm -53.96 -42.08 52.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 CA-C-O 121.105 0.478 . . . . 62.45 110.391 174.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 49' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -71.12 -41.51 70.44 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 121.871 -0.518 . . . . 78.71 111.295 -176.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.89 -40.79 95.66 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.062 -0.655 . . . . 55.19 111.016 177.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 51' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -65.36 -30.49 71.33 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.138 -0.625 . . . . 56.59 111.55 177.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -66.75 -43.54 83.84 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.485 -0.486 . . . . 61.58 111.161 178.167 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 53' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -58.36 -39.24 79.02 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.288 -0.565 . . . . 74.49 110.716 172.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 54' ' ' LEU . . . . . . . . . . . . . 10.8 tp -67.04 -35.77 80.61 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.463 -0.495 . . . . 67.77 110.73 179.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 55' ' ' LEU . . . . . . . . . . . . . 5.9 mt -66.33 -48.77 69.23 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.921 -0.312 . . . . 59.45 111.157 176.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 56' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -57.97 -38.58 76.31 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.229 -0.588 . . . . 105.59 110.972 178.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 57' ' ' LEU . . . . . . . . . . . . . 57.0 mt -61.24 -38.88 88.25 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.761 -0.376 . . . . 57.88 111.396 177.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 58' ' ' THR . . . . . . . . . . . . . 51.5 p -71.75 -34.23 69.32 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 119.862 -0.735 . . . . 53.93 111.43 179.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 59' ' ' VAL . . . . . . . . . . . . . 90.1 t -59.57 -47.37 91.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 CA-C-O 121.375 0.607 . . . . 61.42 109.963 172.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 60' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -54.97 -46.18 75.02 Favored 'General case' 0 C--O 1.237 0.444 0 O-C-N 122.034 -0.416 . . . . 65.04 111.218 179.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.84 -41.98 99.76 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 120.025 -1.083 . . . . 54.18 112.49 178.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 62' ' ' ILE . . . . . . . . . . . . . 86.2 mt -60.52 -45.44 97.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 O-C-N 122.264 -0.551 . . . . 57.14 110.294 177.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 63' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -65.22 -33.7 76.61 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.068 -0.653 . . . . 88.32 111.71 -178.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 64' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -72.18 -47.03 53.78 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.382 -0.527 . . . . 70.08 110.854 179.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 65' ' ' LEU . . . . . 0.436 ' O ' HG12 ' G' ' 69' ' ' ILE . 77.0 mt -66.2 -36.99 84.5 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.361 -0.536 . . . . 66.46 111.062 179.678 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' G' G ' 66' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -68.33 -39.12 82.04 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.343 -0.543 . . . . 99.54 111.274 -178.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.26 -43.39 77.91 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.214 -0.594 . . . . 86.89 111.27 179.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 68' ' ' ARG . . . . . . . . . . . . . 53.0 tpt85 -59.85 -27.84 67.0 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.792 -0.363 . . . . 125.75 111.741 -178.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 69' ' ' ILE . . . . . 0.436 HG12 ' O ' ' G' ' 65' ' ' LEU . 49.9 pt . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.987 0.422 . . . . 102.65 109.889 177.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 116' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 . . . . . . . . 73.42 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 117' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -77.71 -32.59 53.01 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.861 1.06 . . . . 81.04 113.861 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 118' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -80.42 -33.89 36.6 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.304 -0.958 . . . . 112.9 111.849 178.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 119' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -64.92 -31.33 72.52 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.043 -0.663 . . . . 95.73 110.699 166.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 120' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -63.15 -54.11 42.77 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.741 0.305 . . . . 61.56 110.918 174.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 121' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -52.66 -31.25 36.09 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.528 -0.469 . . . . 84.6 111.303 172.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -47.15 47.98 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.828 0.347 . . . . 109.44 111.087 -177.03 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 123' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -71.57 -27.36 63.09 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 120.817 -0.353 . . . . 82.69 111.596 179.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 124' ' ' ILE . . . . . . . . . . . . . 14.9 mm -61.31 -61.3 1.64 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-O 121.348 0.595 . . . . 68.1 110.175 176.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 125' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -66.8 -22.01 66.03 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 121.89 -0.506 . . . . 126.1 112.044 -178.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 126' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -65.78 -47.63 74.52 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.549 -0.46 . . . . 103.66 110.853 174.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 127' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -77.05 -32.02 56.57 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.391 0.515 . . . . 70.75 112.391 178.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 128' ' ' THR . . . . . . . . . . . . . 41.3 m -58.92 -45.05 91.28 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.181 -0.608 . . . . 65.85 110.672 174.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 129' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -58.8 -46.72 86.93 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.487 -0.485 . . . . 94.58 110.608 172.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 130' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -59.96 -37.32 79.23 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 122.287 -0.258 . . . . 82.07 111.308 -177.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 131' ' ' ILE . . . . . . . . . . . . . 57.4 mt -74.24 -48.89 35.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-O 121.014 0.435 . . . . 67.36 110.348 -178.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 132' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -55.72 -34.97 65.61 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.461 -0.495 . . . . 119.19 111.207 -177.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 133' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -70.55 -43.1 70.21 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.207 -0.597 . . . . 129.17 111.157 177.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 134' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.2 -36.59 84.58 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.182 -0.607 . . . . 67.08 110.984 177.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 135' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.87 -36.73 76.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 C-N-CA 120.112 -0.635 . . . . 72.12 110.118 173.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 136' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -64.45 -53.06 54.29 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 121.888 -0.508 . . . . 99.51 110.879 176.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 137' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -56.14 -31.09 63.02 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.659 -0.416 . . . . 112.71 111.726 179.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 138' ' ' SER . . . . . . . . . . . . . 40.5 m -78.3 -41.61 33.31 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.736 -0.386 . . . . 76.19 111.678 -174.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 139' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -62.98 -46.35 88.12 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.186 -0.605 . . . . 89.51 110.717 178.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 140' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -60.27 -39.25 86.18 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.298 -0.561 . . . . 95.97 110.889 177.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 141' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -70.71 -36.82 73.41 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.531 -0.467 . . . . 96.25 111.053 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 142' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -59.48 -41.05 88.89 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.249 -0.58 . . . . 71.29 110.756 173.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 143' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -62.72 -33.76 75.77 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.805 -0.358 . . . . 124.2 111.551 -179.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 144' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -60.15 -53.56 56.29 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.511 -0.476 . . . . 86.25 110.97 175.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 145' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 87.32 111.796 -171.379 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.736 0.303 . . . . 100.54 110.889 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 5.2 tt -73.47 -38.33 65.46 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.855 -0.738 . . . . 92.56 110.969 179.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 35' ' ' SER . . . . . . . . . . . . . 82.6 p -59.08 -24.65 63.1 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 119.99 -0.684 . . . . 85.08 111.549 171.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.74 -32.63 49.55 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 120.521 -0.847 . . . . 71.8 113.567 176.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -69.73 -39.54 78.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-N 117.584 0.692 . . . . 76.67 110.297 175.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 38' ' ' VAL . . . . . . . . . . . . . 76.8 t -65.17 -35.96 76.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 O-C-N 121.792 -0.568 . . . . 65.57 110.754 -179.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 39' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -77.99 -27.3 49.02 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 119.46 -0.896 . . . . 105.11 111.572 177.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 40' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 -64.57 -35.5 81.2 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 119.876 -0.73 . . . . 70.8 110.817 170.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 41' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -60.37 -40.74 91.9 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.424 -0.51 . . . . 96.5 110.924 172.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 42' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -68.44 -39.05 81.67 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.573 -0.451 . . . . 73.31 111.156 -179.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 43' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -60.64 -51.07 70.96 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.64 -0.424 . . . . 66.73 110.843 176.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 44' ' ' LEU . . . . . . . . . . . . . 73.0 mt -58.4 -41.99 86.16 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.563 -0.455 . . . . 71.12 111.019 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 45' ' ' LEU . . . . . . . . . . . . . 63.4 tp -61.55 -48.78 79.44 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.425 -0.51 . . . . 70.19 111.012 -178.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 46' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.81 -32.54 74.29 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.404 -0.519 . . . . 120.48 111.592 179.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.98 -43.76 86.9 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.506 -0.477 . . . . 50.27 111.101 175.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 48' ' ' ILE . . . . . . . . . . . . . 90.1 mt -59.54 -40.29 81.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 121.007 0.432 . . . . 56.55 110.181 175.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 49' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -64.63 -38.74 92.04 Favored 'General case' 0 C--O 1.237 0.411 0 O-C-N 121.986 -0.446 . . . . 76.5 111.229 178.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.49 -43.38 81.08 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.017 -0.673 . . . . 55.24 110.759 175.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 51' ' ' GLN . . . . . 0.55 ' OE1' ' NE2' ' K' ' 52' ' ' GLN . 0.3 OUTLIER -54.49 -36.22 63.94 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 120.399 -0.52 . . . . 67.46 110.853 174.817 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -73.12 -35.19 66.51 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.373 -0.531 . . . . 53.98 111.258 -176.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 53' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -60.43 -39.1 86.21 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 119.993 -0.683 . . . . 71.62 110.787 172.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 54' ' ' LEU . . . . . . . . . . . . . 68.5 mt -70.03 -40.43 75.18 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.145 -0.622 . . . . 54.59 111.244 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 55' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.12 -43.85 91.98 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 119.807 -0.757 . . . . 49.68 110.94 174.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 56' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -52.63 -44.64 66.22 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.932 0.396 . . . . 59.62 110.892 175.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 57' ' ' LEU . . . . . . . . . . . . . 52.8 mt -67.72 -42.48 81.86 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.782 -0.367 . . . . 48.89 111.716 -176.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 58' ' ' THR . . . . . . . . . . . . . 48.0 p -69.67 -34.75 74.4 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.556 -0.858 . . . . 50.39 111.473 -179.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 59' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.82 -42.23 94.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 120.458 -0.497 . . . . 55.3 110.386 175.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 60' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -58.25 -48.89 79.01 Favored 'General case' 0 C--O 1.237 0.416 0 O-C-N 121.841 -0.537 . . . . 70.59 110.705 175.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.3 -46.28 94.11 Favored Glycine 0 C--N 1.335 0.523 0 C-N-CA 120.369 -0.919 . . . . 47.88 112.628 -179.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 62' ' ' ILE . . . . . . . . . . . . . 67.6 mt -60.19 -33.04 52.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 O-C-N 122.104 -0.645 . . . . 58.31 110.32 178.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 63' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -73.04 -39.05 66.25 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.195 -0.602 . . . . 83.94 111.312 -178.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 64' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -62.42 -40.78 97.66 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.937 -0.705 . . . . 78.43 110.863 176.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 65' ' ' LEU . . . . . . . . . . . . . 88.3 mt -71.04 -37.74 72.55 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.607 -0.437 . . . . 58.63 111.334 179.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 66' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -62.15 -52.19 64.82 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.708 -0.397 . . . . 93.77 111.067 -177.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.91 -24.19 67.45 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.302 -0.559 . . . . 88.67 111.992 178.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 68' ' ' ARG . . . . . . . . . . . . . 53.6 tpt85 -78.31 -22.72 47.73 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 112.469 0.544 . . . . 104.14 112.469 178.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 69' ' ' ILE . . . . . . . . . . . . . 48.4 mt . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 109.841 -0.429 . . . . 82.37 109.841 -174.122 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 117' ' ' TRP . . . . . . . . . . . . . 56.4 m95 . . . . . 0 CA--C 1.523 -0.07 0 N-CA-C 111.784 0.29 . . . . 72.65 111.784 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 118' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -62.51 -39.52 93.79 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.728 -0.789 . . . . 131.98 110.853 178.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 119' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -65.36 -31.42 72.54 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.306 -0.558 . . . . 97.81 111.076 172.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 120' ' ' TRP . . . . . . . . . . . . . 86.9 t90 -64.32 -45.9 85.88 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.844 0.354 . . . . 53.06 110.794 178.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -61.46 -34.6 75.72 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.309 -0.557 . . . . 93.12 111.146 178.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 122' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -68.96 -47.13 66.38 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.501 -0.48 . . . . 108.94 111.022 179.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 123' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -61.91 -33.52 74.39 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.856 -0.338 . . . . 107.9 111.456 178.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 124' ' ' ILE . . . . . . . . . . . . . 23.9 mm -60.87 -61.22 1.65 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.253 0.549 . . . . 61.09 109.928 174.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 125' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -54.63 -39.6 68.1 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.777 -0.369 . . . . 108.82 111.348 179.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 126' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.41 -60.21 3.85 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.961 0.41 . . . . 110.07 110.928 178.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 127' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -71.94 -30.45 65.33 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.476 -0.489 . . . . 71.83 111.913 -175.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 128' ' ' THR . . . . . . . . . . . . . 80.9 m -57.89 -53.69 55.39 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.33 -0.548 . . . . 63.14 110.726 173.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 129' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -59.24 -40.0 84.53 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.477 -0.489 . . . . 117.69 111.093 179.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 130' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -68.12 -35.22 77.76 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.525 -0.47 . . . . 123.13 111.689 -178.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 131' ' ' ILE . . . . . . . . . . . . . 30.7 mt -68.03 -46.04 82.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 C-N-CA 120.363 -0.535 . . . . 64.92 110.165 178.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 132' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.55 -28.73 69.84 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 119.821 -0.752 . . . . 120.17 111.573 -177.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 133' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -67.54 -52.22 41.48 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.076 -0.649 . . . . 126.54 110.567 172.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 134' ' ' LEU . . . . . . . . . . . . . 64.7 mt -55.47 -41.21 72.63 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 120.934 -0.306 . . . . 60.47 111.266 179.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 135' ' ' ILE . . . . . . . . . . . . . 44.2 mt -62.25 -44.82 99.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 C-N-CA 120.368 -0.533 . . . . 76.8 110.3 176.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 136' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.55 -49.6 77.13 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 121.861 -0.524 . . . . 111.2 110.992 178.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 137' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.31 -29.55 69.15 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.686 -0.406 . . . . 107.08 111.873 -178.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 138' ' ' SER . . . . . . . . . . . . . 64.6 m -75.06 -32.06 61.41 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.566 -0.454 . . . . 68.09 111.991 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 139' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -75.96 -25.25 55.7 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 112.257 0.466 . . . . 97.34 112.257 178.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 140' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -74.15 -43.53 57.04 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.416 -0.514 . . . . 121.21 110.987 172.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 141' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -60.16 -34.47 73.62 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.446 -0.502 . . . . 91.87 110.807 173.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 142' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -70.97 -43.67 67.58 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.37 -0.532 . . . . 79.46 110.917 176.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 143' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -74.38 58.58 0.75 Allowed 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.841 -0.8 . . . . 120.82 108.841 174.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 144' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -166.73 -69.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 106.728 -1.582 . . . . 97.24 106.728 -175.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 145' ' ' ASN . . . . . . . . . . . . . 6.8 m120 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.312 -0.404 . . . . 81.0 111.672 -177.523 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 29' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.612 0.244 . . . . 132.02 110.895 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.17 -14.52 60.96 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.106 -0.638 . . . . 109.6 112.214 175.25 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 31' ' ' ARG . . . . . . . . . . . . . 39.1 ttm105 -76.69 -17.59 59.03 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 118.32 0.509 . . . . 122.79 111.974 173.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 32' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -82.47 -40.5 21.03 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.81 -0.356 . . . . 117.61 110.819 173.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 33' ' ' LEU . . . . . . . . . . . . . 32.1 tp -66.0 -46.86 76.44 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.719 -0.392 . . . . 96.59 110.749 175.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.51 -35.34 73.97 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.612 -0.435 . . . . 96.14 111.499 178.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 35' ' ' SER . . . . . . . . . . . . . 48.4 t -74.26 -38.06 63.57 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.334 -0.546 . . . . 90.82 111.182 -179.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.63 -25.32 75.9 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 120.405 -0.902 . . . . 72.62 113.165 179.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 37' ' ' ILE . . . . . . . . . . . . . 88.2 mt -74.31 -42.34 50.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-N 117.434 0.617 . . . . 76.33 110.44 179.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 38' ' ' VAL . . . . . . . . . . . . . 50.0 t -62.83 -41.67 93.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 O-C-N 121.787 -0.57 . . . . 69.57 110.061 174.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 39' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -57.84 -44.45 86.51 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 121.941 -0.474 . . . . 88.08 110.705 173.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 40' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -63.99 -39.44 94.12 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.915 -0.314 . . . . 71.83 111.29 -179.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 41' ' ' GLN . . . . . 0.637 ' OE1' ' O ' ' K' ' 102' ' ' HOH . 86.2 mt-30 -66.33 -37.01 84.36 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.142 -0.623 . . . . 66.69 111.337 -176.502 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 42' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -68.48 -35.44 77.53 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.831 -0.748 . . . . 81.48 110.77 176.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 43' ' ' ASN . . . . . 0.659 ' OD1' ' O ' ' K' ' 101' ' ' HOH . 86.5 m-20 -59.86 -53.47 57.5 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.595 -0.442 . . . . 73.46 110.819 175.057 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 44' ' ' LEU . . . . . . . . . . . . . 28.4 mt -57.97 -39.62 78.58 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.67 -0.412 . . . . 64.56 111.179 179.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 45' ' ' LEU . . . . . . . . . . . . . 18.4 tp -65.5 -43.36 90.41 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.398 -0.521 . . . . 59.39 111.098 -178.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 46' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -65.49 -34.33 78.02 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.25 -0.58 . . . . 108.21 111.236 178.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.2 93.0 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.196 -0.602 . . . . 62.16 110.833 175.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 48' ' ' ILE . . . . . . . . . . . . . 64.6 mt -59.21 -43.88 90.64 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-O 120.982 0.42 . . . . 58.41 110.479 177.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 49' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.94 -48.86 79.88 Favored 'General case' 0 C--O 1.236 0.389 0 O-C-N 121.802 -0.561 . . . . 66.36 111.141 179.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.51 -45.79 90.71 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.29 -0.564 . . . . 62.02 111.029 177.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 51' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -60.33 -34.0 73.21 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.368 -0.533 . . . . 63.61 111.574 177.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 52' ' ' GLN . . . . . 0.55 ' NE2' ' OE1' ' I' ' 51' ' ' GLN . 6.4 tp-100 -67.37 -40.31 85.73 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.865 -0.734 . . . . 57.44 110.893 177.407 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 53' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -61.67 -44.4 97.03 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.133 -0.627 . . . . 81.82 110.742 173.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 54' ' ' LEU . . . . . . . . . . . . . 29.0 tp -60.24 -36.59 78.11 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.374 -0.53 . . . . 66.12 111.019 177.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 55' ' ' LEU . . . . . . . . . . . . . 8.6 tt -71.15 -35.98 71.88 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.269 -0.573 . . . . 67.61 111.434 -179.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 56' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -67.91 -29.3 68.36 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.53 -0.868 . . . . 63.95 111.391 178.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 57' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.18 -43.07 96.23 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.96 -0.696 . . . . 61.05 110.691 168.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 58' ' ' THR . . . . . . . . . . . . . 58.9 m -54.7 -40.7 69.45 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 120.747 0.308 . . . . 73.73 111.105 176.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 59' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.8 -41.73 82.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 O-C-N 122.183 -0.323 . . . . 52.19 110.676 -177.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 60' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -54.98 -48.34 73.41 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 121.821 -0.549 . . . . 65.41 110.762 175.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.43 -43.78 97.18 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 120.259 -0.972 . . . . 50.97 112.91 -178.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 62' ' ' ILE . . . . . . . . . . . . . 58.2 mt -64.17 -44.42 97.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 O-C-N 122.112 -0.64 . . . . 44.78 110.523 -179.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 63' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -63.21 -38.47 91.28 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.363 -0.535 . . . . 97.86 110.796 177.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 64' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -64.82 -38.39 90.82 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.6 0.238 . . . . 73.69 111.292 179.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 65' ' ' LEU . . . . . . . . . . . . . 93.2 mt -74.97 -36.29 62.05 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.743 -0.383 . . . . 69.54 111.397 177.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 66' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -59.35 -48.0 83.29 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.559 -0.456 . . . . 87.21 110.611 174.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.58 -40.51 79.16 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.756 -0.378 . . . . 59.05 111.459 178.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -41.37 99.05 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.094 -0.642 . . . . 103.15 111.259 179.572 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 69' ' ' ILE . . . . . . . . . . . . . 1.1 mp -66.57 -42.92 90.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 C-N-CA 120.517 -0.473 . . . . 71.37 110.417 178.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.387 0 O-C-N 121.869 -0.52 . . . . 79.13 110.993 177.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 116' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 . . . . . . . . 66.78 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' L' L ' 117' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -76.11 -33.1 59.47 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.487 0.551 . . . . 70.76 112.487 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 118' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' L' ' 119' ' ' GLU . 0.7 OUTLIER -52.29 -51.46 58.43 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 119.878 -0.729 . . . . 127.13 110.47 167.69 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' L' L ' 119' ' ' GLU . . . . . 0.418 ' N ' ' HG2' ' L' ' 118' ' ' GLU . 4.3 tm-20 -66.28 -44.71 82.8 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.297 -0.41 . . . . 122.84 110.699 -175.592 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' L' L ' 120' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -49.43 -47.65 47.9 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.881 0.372 . . . . 66.19 110.868 171.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.68 -44.07 85.53 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 122.102 -0.374 . . . . 94.5 111.354 176.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 122' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -56.7 -54.18 49.13 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.509 -0.476 . . . . 117.26 111.026 177.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 123' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -67.53 -35.83 79.84 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.541 -0.464 . . . . 114.25 111.73 -172.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 124' ' ' ILE . . . . . . . . . . . . . 14.3 mm -57.17 -60.42 2.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 120.257 -0.577 . . . . 66.95 110.005 177.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 125' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.94 -38.05 78.13 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.239 -0.585 . . . . 125.88 111.312 -179.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 126' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.3 -56.04 24.99 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.454 -0.498 . . . . 119.59 111.053 -178.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 127' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -69.41 -25.76 64.3 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.191 -0.604 . . . . 74.87 111.814 -179.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 128' ' ' THR . . . . . . . . . . . . . 55.1 m -62.32 -50.67 70.7 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.451 -0.499 . . . . 61.35 110.694 172.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 129' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -57.03 -42.1 79.82 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.32 -0.552 . . . . 103.92 110.963 175.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 130' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -58.3 -55.34 36.21 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.563 -0.455 . . . . 96.78 111.188 -179.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 131' ' ' ILE . . . . . . . . . . . . . 11.5 tt -63.02 -33.54 61.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 C-N-CA 119.786 -0.766 . . . . 65.64 110.912 -175.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 132' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -73.19 -23.65 60.44 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 119.525 -0.87 . . . . 113.4 112.224 -179.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 133' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -75.53 -36.55 60.45 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.201 -0.6 . . . . 120.22 110.974 170.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 134' ' ' LEU . . . . . . . . . . . . . 17.6 mt -67.32 -36.52 81.64 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.289 -0.565 . . . . 64.67 111.026 176.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 135' ' ' ILE . . . . . . . . . . . . . 75.3 mt -62.7 -48.41 88.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 120.408 -0.517 . . . . 68.93 110.287 177.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 136' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.28 -37.89 89.02 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 119.962 -0.695 . . . . 107.05 110.986 178.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 137' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.86 -30.34 70.93 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.197 -0.601 . . . . 113.24 111.281 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 138' ' ' SER . . . . . . . . . . . . . 67.7 m -79.09 -33.42 44.5 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 111.977 0.362 . . . . 69.08 111.977 177.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 139' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -62.76 -34.96 78.31 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.149 -0.62 . . . . 109.56 110.943 174.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 140' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -66.96 -58.11 5.6 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.956 0.408 . . . . 103.44 111.031 176.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 141' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -58.19 -30.19 66.25 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.778 -0.369 . . . . 94.65 111.956 -178.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 142' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -68.54 -42.87 77.84 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.023 -0.671 . . . . 87.0 111.141 -179.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 143' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -67.87 -40.28 83.63 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.449 -0.5 . . . . 113.36 111.026 178.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 144' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -57.15 -58.34 8.63 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.002 0.43 . . . . 119.93 110.755 174.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' L' L ' 145' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 . . . . . 0 C--N 1.331 -0.227 0 O-C-N 122.17 -0.331 . . . . 76.11 111.596 177.085 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 101' ' ' HOH . . . . . 0.659 ' O ' ' OD1' ' K' ' 43' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 102' ' ' HOH . . . . . 0.637 ' O ' ' OE1' ' K' ' 41' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.164 0 N-CA-C 109.825 -0.435 . . . . 110.5 109.825 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 31' ' ' ARG . . . . . . . . . . . . . 7.6 mtm105 -84.53 2.48 40.96 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 112.195 0.443 . . . . 111.57 112.195 168.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 32' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -63.28 -37.87 88.94 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 117.982 0.355 . . . . 119.04 110.902 169.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 33' ' ' LEU . . . . . . . . . . . . . 26.7 tp -90.15 -34.52 15.82 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 112.636 0.606 . . . . 85.75 112.636 -173.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 60.5 mt -61.5 -31.45 71.44 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 119.957 -0.697 . . . . 99.45 110.866 168.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 35' ' ' SER . . . . . . . . . . . . . 30.5 t -68.13 -40.73 82.39 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.672 -0.411 . . . . 84.65 111.155 176.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 36' ' ' GLY . . . . . . . . . . . . . . . -69.91 -30.45 70.2 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 120.261 -0.971 . . . . 85.25 112.781 177.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 37' ' ' ILE . . . . . . . . . . . . . 45.5 mt -71.47 -47.2 60.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 117.225 0.512 . . . . 88.35 110.348 178.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 38' ' ' VAL . . . . . . . . . . . . . 54.5 t -56.62 -40.91 72.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 C-N-CA 120.437 -0.505 . . . . 64.29 110.29 179.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 39' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -62.63 -43.99 97.42 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 121.867 -0.521 . . . . 95.95 110.959 175.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 40' ' ' GLN . . . . . . . . . . . . . 17.4 tp60 -59.78 -41.84 92.04 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.783 -0.367 . . . . 82.65 110.95 177.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 41' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -54.24 -39.1 66.49 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.824 -0.35 . . . . 90.78 111.116 175.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 42' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -61.86 -50.05 73.81 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.64 -0.424 . . . . 70.88 110.707 179.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 43' ' ' ASN . . . . . . . . . . . . . 32.4 m-20 -61.27 -42.16 98.16 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.422 -0.511 . . . . 73.96 111.094 -178.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 44' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.88 -47.94 81.15 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.297 -0.561 . . . . 73.15 110.696 178.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 45' ' ' LEU . . . . . . . . . . . . . 10.8 tp -56.13 -47.58 77.86 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.366 -0.534 . . . . 66.78 110.836 177.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 46' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -67.44 -28.08 67.58 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.337 -0.545 . . . . 99.46 111.654 -178.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.87 -45.13 75.4 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.01 -0.676 . . . . 51.73 110.797 172.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 48' ' ' ILE . . . . . . . . . . . . . 38.5 mm -53.96 -42.08 52.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 CA-C-O 121.105 0.478 . . . . 62.45 110.391 174.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 49' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -71.12 -41.51 70.44 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 121.871 -0.518 . . . . 78.71 111.295 -176.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.89 -40.79 95.66 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.062 -0.655 . . . . 55.19 111.016 177.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 51' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -65.36 -30.49 71.33 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.138 -0.625 . . . . 56.59 111.55 177.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 52' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -66.75 -43.54 83.84 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.485 -0.486 . . . . 61.58 111.161 178.167 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 53' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -58.36 -39.24 79.02 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.288 -0.565 . . . . 74.49 110.716 172.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 54' ' ' LEU . . . . . . . . . . . . . 10.8 tp -67.04 -35.77 80.61 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.463 -0.495 . . . . 67.77 110.73 179.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 55' ' ' LEU . . . . . . . . . . . . . 5.9 mt -66.33 -48.77 69.23 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.921 -0.312 . . . . 59.45 111.157 176.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 56' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -57.97 -38.58 76.31 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.229 -0.588 . . . . 105.59 110.972 178.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 57' ' ' LEU . . . . . . . . . . . . . 57.0 mt -61.24 -38.88 88.25 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.761 -0.376 . . . . 57.88 111.396 177.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 58' ' ' THR . . . . . . . . . . . . . 51.5 p -71.75 -34.23 69.32 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 119.862 -0.735 . . . . 53.93 111.43 179.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 59' ' ' VAL . . . . . . . . . . . . . 90.1 t -59.57 -47.37 91.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 CA-C-O 121.375 0.607 . . . . 61.42 109.963 172.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 60' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -54.97 -46.18 75.02 Favored 'General case' 0 C--O 1.237 0.444 0 O-C-N 122.034 -0.416 . . . . 65.04 111.218 179.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 61' ' ' GLY . . . . . . . . . . . . . . . -62.84 -41.98 99.76 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 120.025 -1.083 . . . . 54.18 112.49 178.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 62' ' ' ILE . . . . . . . . . . . . . 86.2 mt -60.52 -45.44 97.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 O-C-N 122.264 -0.551 . . . . 57.14 110.294 177.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 63' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -65.22 -33.7 76.61 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.068 -0.653 . . . . 88.32 111.71 -178.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 64' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -72.18 -47.03 53.78 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.382 -0.527 . . . . 70.08 110.854 179.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 65' ' ' LEU . . . . . 0.436 ' O ' HG12 ' G' ' 69' ' ' ILE . 77.0 mt -66.2 -36.99 84.5 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.361 -0.536 . . . . 66.46 111.062 179.678 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' G' G ' 66' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -68.33 -39.12 82.04 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.343 -0.543 . . . . 99.54 111.274 -178.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.26 -43.39 77.91 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.214 -0.594 . . . . 86.89 111.27 179.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 68' ' ' ARG . . . . . . . . . . . . . 53.0 tpt85 -59.85 -27.84 67.0 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.792 -0.363 . . . . 125.75 111.741 -178.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 69' ' ' ILE . . . . . 0.436 HG12 ' O ' ' G' ' 65' ' ' LEU . 49.9 pt . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.987 0.422 . . . . 102.65 109.889 177.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 116' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 . . . . . . . . 73.42 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 117' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -77.71 -32.59 53.01 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.861 1.06 . . . . 81.04 113.861 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 118' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -80.42 -33.89 36.6 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.304 -0.958 . . . . 112.9 111.849 178.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 119' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -64.92 -31.33 72.52 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.043 -0.663 . . . . 95.73 110.699 166.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 120' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -63.15 -54.11 42.77 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.741 0.305 . . . . 61.56 110.918 174.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 121' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -52.66 -31.25 36.09 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.528 -0.469 . . . . 84.6 111.303 172.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -47.15 47.98 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.828 0.347 . . . . 109.44 111.087 -177.03 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 123' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -71.57 -27.36 63.09 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 120.817 -0.353 . . . . 82.69 111.596 179.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 124' ' ' ILE . . . . . . . . . . . . . 14.9 mm -61.31 -61.3 1.64 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-O 121.348 0.595 . . . . 68.1 110.175 176.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 125' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -66.8 -22.01 66.03 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 121.89 -0.506 . . . . 126.1 112.044 -178.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 126' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -65.78 -47.63 74.52 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.549 -0.46 . . . . 103.66 110.853 174.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 127' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -77.05 -32.02 56.57 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 112.391 0.515 . . . . 70.75 112.391 178.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 128' ' ' THR . . . . . . . . . . . . . 41.3 m -58.92 -45.05 91.28 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.181 -0.608 . . . . 65.85 110.672 174.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 129' ' ' LYS . . . . . . . . . . . . . 33.2 mttm -58.8 -46.72 86.93 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.487 -0.485 . . . . 94.58 110.608 172.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 130' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -59.96 -37.32 79.23 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 122.287 -0.258 . . . . 82.07 111.308 -177.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 131' ' ' ILE . . . . . . . . . . . . . 57.4 mt -74.24 -48.89 35.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-O 121.014 0.435 . . . . 67.36 110.348 -178.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 132' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -55.72 -34.97 65.61 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.461 -0.495 . . . . 119.19 111.207 -177.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 133' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -70.55 -43.1 70.21 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.207 -0.597 . . . . 129.17 111.157 177.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 134' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.2 -36.59 84.58 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.182 -0.607 . . . . 67.08 110.984 177.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 135' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.87 -36.73 76.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 C-N-CA 120.112 -0.635 . . . . 72.12 110.118 173.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 136' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -64.45 -53.06 54.29 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 121.888 -0.508 . . . . 99.51 110.879 176.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 137' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -56.14 -31.09 63.02 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.659 -0.416 . . . . 112.71 111.726 179.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 138' ' ' SER . . . . . . . . . . . . . 40.5 m -78.3 -41.61 33.31 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.736 -0.386 . . . . 76.19 111.678 -174.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 139' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -62.98 -46.35 88.12 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.186 -0.605 . . . . 89.51 110.717 178.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 140' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -60.27 -39.25 86.18 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.298 -0.561 . . . . 95.97 110.889 177.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 141' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -70.71 -36.82 73.41 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.531 -0.467 . . . . 96.25 111.053 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 142' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -59.48 -41.05 88.89 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.249 -0.58 . . . . 71.29 110.756 173.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 143' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -62.72 -33.76 75.77 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.805 -0.358 . . . . 124.2 111.551 -179.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 144' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -60.15 -53.56 56.29 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.511 -0.476 . . . . 86.25 110.97 175.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 145' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 87.32 111.796 -171.379 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.736 0.303 . . . . 100.54 110.889 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 5.2 tt -73.47 -38.33 65.46 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.855 -0.738 . . . . 92.56 110.969 179.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 35' ' ' SER . . . . . . . . . . . . . 82.6 p -59.08 -24.65 63.1 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 119.99 -0.684 . . . . 85.08 111.549 171.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.74 -32.63 49.55 Favored Glycine 0 C--N 1.336 0.548 0 C-N-CA 120.521 -0.847 . . . . 71.8 113.567 176.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -69.73 -39.54 78.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-N 117.584 0.692 . . . . 76.67 110.297 175.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 38' ' ' VAL . . . . . . . . . . . . . 76.8 t -65.17 -35.96 76.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 O-C-N 121.792 -0.568 . . . . 65.57 110.754 -179.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 39' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -77.99 -27.3 49.02 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 119.46 -0.896 . . . . 105.11 111.572 177.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 40' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 -64.57 -35.5 81.2 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 119.876 -0.73 . . . . 70.8 110.817 170.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 41' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -60.37 -40.74 91.9 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.424 -0.51 . . . . 96.5 110.924 172.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 42' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -68.44 -39.05 81.67 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.573 -0.451 . . . . 73.31 111.156 -179.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 43' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -60.64 -51.07 70.96 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.64 -0.424 . . . . 66.73 110.843 176.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 44' ' ' LEU . . . . . . . . . . . . . 73.0 mt -58.4 -41.99 86.16 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.563 -0.455 . . . . 71.12 111.019 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 45' ' ' LEU . . . . . . . . . . . . . 63.4 tp -61.55 -48.78 79.44 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.425 -0.51 . . . . 70.19 111.012 -178.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 46' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.81 -32.54 74.29 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.404 -0.519 . . . . 120.48 111.592 179.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.98 -43.76 86.9 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.506 -0.477 . . . . 50.27 111.101 175.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 48' ' ' ILE . . . . . . . . . . . . . 90.1 mt -59.54 -40.29 81.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 121.007 0.432 . . . . 56.55 110.181 175.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 49' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -64.63 -38.74 92.04 Favored 'General case' 0 C--O 1.237 0.411 0 O-C-N 121.986 -0.446 . . . . 76.5 111.229 178.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.49 -43.38 81.08 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.017 -0.673 . . . . 55.24 110.759 175.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 51' ' ' GLN . . . . . 0.55 ' OE1' ' NE2' ' K' ' 52' ' ' GLN . 0.3 OUTLIER -54.49 -36.22 63.94 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 120.399 -0.52 . . . . 67.46 110.853 174.817 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' I' I ' 52' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -73.12 -35.19 66.51 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.373 -0.531 . . . . 53.98 111.258 -176.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 53' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -60.43 -39.1 86.21 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 119.993 -0.683 . . . . 71.62 110.787 172.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 54' ' ' LEU . . . . . . . . . . . . . 68.5 mt -70.03 -40.43 75.18 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.145 -0.622 . . . . 54.59 111.244 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 55' ' ' LEU . . . . . . . . . . . . . 83.5 mt -59.12 -43.85 91.98 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 119.807 -0.757 . . . . 49.68 110.94 174.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 56' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -52.63 -44.64 66.22 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.932 0.396 . . . . 59.62 110.892 175.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 57' ' ' LEU . . . . . . . . . . . . . 52.8 mt -67.72 -42.48 81.86 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.782 -0.367 . . . . 48.89 111.716 -176.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 58' ' ' THR . . . . . . . . . . . . . 48.0 p -69.67 -34.75 74.4 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.556 -0.858 . . . . 50.39 111.473 -179.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 59' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.82 -42.23 94.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 C-N-CA 120.458 -0.497 . . . . 55.3 110.386 175.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 60' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -58.25 -48.89 79.01 Favored 'General case' 0 C--O 1.237 0.416 0 O-C-N 121.841 -0.537 . . . . 70.59 110.705 175.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.3 -46.28 94.11 Favored Glycine 0 C--N 1.335 0.523 0 C-N-CA 120.369 -0.919 . . . . 47.88 112.628 -179.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 62' ' ' ILE . . . . . . . . . . . . . 67.6 mt -60.19 -33.04 52.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 O-C-N 122.104 -0.645 . . . . 58.31 110.32 178.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 63' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -73.04 -39.05 66.25 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.195 -0.602 . . . . 83.94 111.312 -178.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 64' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -62.42 -40.78 97.66 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.937 -0.705 . . . . 78.43 110.863 176.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 65' ' ' LEU . . . . . . . . . . . . . 88.3 mt -71.04 -37.74 72.55 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.607 -0.437 . . . . 58.63 111.334 179.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 66' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -62.15 -52.19 64.82 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.708 -0.397 . . . . 93.77 111.067 -177.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.91 -24.19 67.45 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.302 -0.559 . . . . 88.67 111.992 178.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 68' ' ' ARG . . . . . . . . . . . . . 53.6 tpt85 -78.31 -22.72 47.73 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 112.469 0.544 . . . . 104.14 112.469 178.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 69' ' ' ILE . . . . . . . . . . . . . 48.4 mt . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 109.841 -0.429 . . . . 82.37 109.841 -174.122 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 117' ' ' TRP . . . . . . . . . . . . . 56.4 m95 . . . . . 0 CA--C 1.523 -0.07 0 N-CA-C 111.784 0.29 . . . . 72.65 111.784 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 118' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -62.51 -39.52 93.79 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.728 -0.789 . . . . 131.98 110.853 178.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 119' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -65.36 -31.42 72.54 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.306 -0.558 . . . . 97.81 111.076 172.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 120' ' ' TRP . . . . . . . . . . . . . 86.9 t90 -64.32 -45.9 85.88 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.844 0.354 . . . . 53.06 110.794 178.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 121' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -61.46 -34.6 75.72 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.309 -0.557 . . . . 93.12 111.146 178.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 122' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -68.96 -47.13 66.38 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.501 -0.48 . . . . 108.94 111.022 179.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 123' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -61.91 -33.52 74.39 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.856 -0.338 . . . . 107.9 111.456 178.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 124' ' ' ILE . . . . . . . . . . . . . 23.9 mm -60.87 -61.22 1.65 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.253 0.549 . . . . 61.09 109.928 174.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 125' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -54.63 -39.6 68.1 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.777 -0.369 . . . . 108.82 111.348 179.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 126' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.41 -60.21 3.85 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.961 0.41 . . . . 110.07 110.928 178.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 127' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -71.94 -30.45 65.33 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.476 -0.489 . . . . 71.83 111.913 -175.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 128' ' ' THR . . . . . . . . . . . . . 80.9 m -57.89 -53.69 55.39 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.33 -0.548 . . . . 63.14 110.726 173.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 129' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -59.24 -40.0 84.53 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.477 -0.489 . . . . 117.69 111.093 179.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 130' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -68.12 -35.22 77.76 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.525 -0.47 . . . . 123.13 111.689 -178.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 131' ' ' ILE . . . . . . . . . . . . . 30.7 mt -68.03 -46.04 82.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 C-N-CA 120.363 -0.535 . . . . 64.92 110.165 178.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 132' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.55 -28.73 69.84 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 119.821 -0.752 . . . . 120.17 111.573 -177.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 133' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -67.54 -52.22 41.48 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.076 -0.649 . . . . 126.54 110.567 172.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 134' ' ' LEU . . . . . . . . . . . . . 64.7 mt -55.47 -41.21 72.63 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 120.934 -0.306 . . . . 60.47 111.266 179.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 135' ' ' ILE . . . . . . . . . . . . . 44.2 mt -62.25 -44.82 99.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 C-N-CA 120.368 -0.533 . . . . 76.8 110.3 176.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 136' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.55 -49.6 77.13 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 121.861 -0.524 . . . . 111.2 110.992 178.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 137' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.31 -29.55 69.15 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.686 -0.406 . . . . 107.08 111.873 -178.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 138' ' ' SER . . . . . . . . . . . . . 64.6 m -75.06 -32.06 61.41 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.566 -0.454 . . . . 68.09 111.991 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 139' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -75.96 -25.25 55.7 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 112.257 0.466 . . . . 97.34 112.257 178.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 140' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -74.15 -43.53 57.04 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.416 -0.514 . . . . 121.21 110.987 172.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 141' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -60.16 -34.47 73.62 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.446 -0.502 . . . . 91.87 110.807 173.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 142' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -70.97 -43.67 67.58 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.37 -0.532 . . . . 79.46 110.917 176.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 143' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -74.38 58.58 0.75 Allowed 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.841 -0.8 . . . . 120.82 108.841 174.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 144' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -166.73 -69.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 106.728 -1.582 . . . . 97.24 106.728 -175.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 145' ' ' ASN . . . . . . . . . . . . . 6.8 m120 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.312 -0.404 . . . . 81.0 111.672 -177.523 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 29' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.612 0.244 . . . . 132.02 110.895 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.17 -14.52 60.96 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.106 -0.638 . . . . 109.6 112.214 175.25 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 31' ' ' ARG . . . . . . . . . . . . . 39.1 ttm105 -76.69 -17.59 59.03 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 118.32 0.509 . . . . 122.79 111.974 173.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 32' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -82.47 -40.5 21.03 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.81 -0.356 . . . . 117.61 110.819 173.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 33' ' ' LEU . . . . . . . . . . . . . 32.1 tp -66.0 -46.86 76.44 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.719 -0.392 . . . . 96.59 110.749 175.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.51 -35.34 73.97 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.612 -0.435 . . . . 96.14 111.499 178.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 35' ' ' SER . . . . . . . . . . . . . 48.4 t -74.26 -38.06 63.57 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.334 -0.546 . . . . 90.82 111.182 -179.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.63 -25.32 75.9 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 120.405 -0.902 . . . . 72.62 113.165 179.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 37' ' ' ILE . . . . . . . . . . . . . 88.2 mt -74.31 -42.34 50.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-N 117.434 0.617 . . . . 76.33 110.44 179.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 38' ' ' VAL . . . . . . . . . . . . . 50.0 t -62.83 -41.67 93.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 O-C-N 121.787 -0.57 . . . . 69.57 110.061 174.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 39' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -57.84 -44.45 86.51 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 121.941 -0.474 . . . . 88.08 110.705 173.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 40' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -63.99 -39.44 94.12 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.915 -0.314 . . . . 71.83 111.29 -179.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 41' ' ' GLN . . . . . 0.637 ' OE1' ' O ' ' K' ' 102' ' ' HOH . 86.2 mt-30 -66.33 -37.01 84.36 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.142 -0.623 . . . . 66.69 111.337 -176.502 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 42' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -68.48 -35.44 77.53 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.831 -0.748 . . . . 81.48 110.77 176.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 43' ' ' ASN . . . . . 0.659 ' OD1' ' O ' ' K' ' 101' ' ' HOH . 86.5 m-20 -59.86 -53.47 57.5 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.595 -0.442 . . . . 73.46 110.819 175.057 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 44' ' ' LEU . . . . . . . . . . . . . 28.4 mt -57.97 -39.62 78.58 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.67 -0.412 . . . . 64.56 111.179 179.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 45' ' ' LEU . . . . . . . . . . . . . 18.4 tp -65.5 -43.36 90.41 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.398 -0.521 . . . . 59.39 111.098 -178.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 46' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -65.49 -34.33 78.02 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.25 -0.58 . . . . 108.21 111.236 178.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.2 93.0 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.196 -0.602 . . . . 62.16 110.833 175.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 48' ' ' ILE . . . . . . . . . . . . . 64.6 mt -59.21 -43.88 90.64 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-O 120.982 0.42 . . . . 58.41 110.479 177.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 49' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.94 -48.86 79.88 Favored 'General case' 0 C--O 1.236 0.389 0 O-C-N 121.802 -0.561 . . . . 66.36 111.141 179.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.51 -45.79 90.71 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.29 -0.564 . . . . 62.02 111.029 177.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 51' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -60.33 -34.0 73.21 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.368 -0.533 . . . . 63.61 111.574 177.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 52' ' ' GLN . . . . . 0.55 ' NE2' ' OE1' ' I' ' 51' ' ' GLN . 6.4 tp-100 -67.37 -40.31 85.73 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.865 -0.734 . . . . 57.44 110.893 177.407 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 53' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -61.67 -44.4 97.03 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.133 -0.627 . . . . 81.82 110.742 173.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 54' ' ' LEU . . . . . . . . . . . . . 29.0 tp -60.24 -36.59 78.11 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.374 -0.53 . . . . 66.12 111.019 177.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 55' ' ' LEU . . . . . . . . . . . . . 8.6 tt -71.15 -35.98 71.88 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.269 -0.573 . . . . 67.61 111.434 -179.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 56' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -67.91 -29.3 68.36 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.53 -0.868 . . . . 63.95 111.391 178.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 57' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.18 -43.07 96.23 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.96 -0.696 . . . . 61.05 110.691 168.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 58' ' ' THR . . . . . . . . . . . . . 58.9 m -54.7 -40.7 69.45 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 120.747 0.308 . . . . 73.73 111.105 176.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 59' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.8 -41.73 82.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 O-C-N 122.183 -0.323 . . . . 52.19 110.676 -177.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 60' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -54.98 -48.34 73.41 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 121.821 -0.549 . . . . 65.41 110.762 175.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.43 -43.78 97.18 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 120.259 -0.972 . . . . 50.97 112.91 -178.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 62' ' ' ILE . . . . . . . . . . . . . 58.2 mt -64.17 -44.42 97.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 O-C-N 122.112 -0.64 . . . . 44.78 110.523 -179.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 63' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -63.21 -38.47 91.28 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.363 -0.535 . . . . 97.86 110.796 177.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 64' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -64.82 -38.39 90.82 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.6 0.238 . . . . 73.69 111.292 179.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 65' ' ' LEU . . . . . . . . . . . . . 93.2 mt -74.97 -36.29 62.05 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.743 -0.383 . . . . 69.54 111.397 177.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 66' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -59.35 -48.0 83.29 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.559 -0.456 . . . . 87.21 110.611 174.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.58 -40.51 79.16 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.756 -0.378 . . . . 59.05 111.459 178.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -41.37 99.05 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.094 -0.642 . . . . 103.15 111.259 179.572 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 69' ' ' ILE . . . . . . . . . . . . . 1.1 mp -66.57 -42.92 90.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 C-N-CA 120.517 -0.473 . . . . 71.37 110.417 178.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.387 0 O-C-N 121.869 -0.52 . . . . 79.13 110.993 177.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 116' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 . . . . . . . . 66.78 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' L' L ' 117' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -76.11 -33.1 59.47 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.487 0.551 . . . . 70.76 112.487 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 118' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' L' ' 119' ' ' GLU . 0.7 OUTLIER -52.29 -51.46 58.43 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 119.878 -0.729 . . . . 127.13 110.47 167.69 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' L' L ' 119' ' ' GLU . . . . . 0.418 ' N ' ' HG2' ' L' ' 118' ' ' GLU . 4.3 tm-20 -66.28 -44.71 82.8 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.297 -0.41 . . . . 122.84 110.699 -175.592 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' L' L ' 120' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -49.43 -47.65 47.9 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.881 0.372 . . . . 66.19 110.868 171.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 121' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.68 -44.07 85.53 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 122.102 -0.374 . . . . 94.5 111.354 176.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 122' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -56.7 -54.18 49.13 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.509 -0.476 . . . . 117.26 111.026 177.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 123' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -67.53 -35.83 79.84 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.541 -0.464 . . . . 114.25 111.73 -172.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 124' ' ' ILE . . . . . . . . . . . . . 14.3 mm -57.17 -60.42 2.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 C-N-CA 120.257 -0.577 . . . . 66.95 110.005 177.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 125' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -58.94 -38.05 78.13 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.239 -0.585 . . . . 125.88 111.312 -179.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 126' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.3 -56.04 24.99 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.454 -0.498 . . . . 119.59 111.053 -178.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 127' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -69.41 -25.76 64.3 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.191 -0.604 . . . . 74.87 111.814 -179.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 128' ' ' THR . . . . . . . . . . . . . 55.1 m -62.32 -50.67 70.7 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.451 -0.499 . . . . 61.35 110.694 172.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 129' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -57.03 -42.1 79.82 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.32 -0.552 . . . . 103.92 110.963 175.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 130' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -58.3 -55.34 36.21 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.563 -0.455 . . . . 96.78 111.188 -179.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 131' ' ' ILE . . . . . . . . . . . . . 11.5 tt -63.02 -33.54 61.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 C-N-CA 119.786 -0.766 . . . . 65.64 110.912 -175.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 132' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -73.19 -23.65 60.44 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 119.525 -0.87 . . . . 113.4 112.224 -179.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 133' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -75.53 -36.55 60.45 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.201 -0.6 . . . . 120.22 110.974 170.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 134' ' ' LEU . . . . . . . . . . . . . 17.6 mt -67.32 -36.52 81.64 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.289 -0.565 . . . . 64.67 111.026 176.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 135' ' ' ILE . . . . . . . . . . . . . 75.3 mt -62.7 -48.41 88.3 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 120.408 -0.517 . . . . 68.93 110.287 177.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 136' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.28 -37.89 89.02 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 119.962 -0.695 . . . . 107.05 110.986 178.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 137' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.86 -30.34 70.93 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.197 -0.601 . . . . 113.24 111.281 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 138' ' ' SER . . . . . . . . . . . . . 67.7 m -79.09 -33.42 44.5 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 111.977 0.362 . . . . 69.08 111.977 177.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 139' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -62.76 -34.96 78.31 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.149 -0.62 . . . . 109.56 110.943 174.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 140' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -66.96 -58.11 5.6 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.956 0.408 . . . . 103.44 111.031 176.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 141' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -58.19 -30.19 66.25 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.778 -0.369 . . . . 94.65 111.956 -178.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 142' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -68.54 -42.87 77.84 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.023 -0.671 . . . . 87.0 111.141 -179.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 143' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -67.87 -40.28 83.63 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.449 -0.5 . . . . 113.36 111.026 178.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 144' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -57.15 -58.34 8.63 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.002 0.43 . . . . 119.93 110.755 174.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' L' L ' 145' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 . . . . . 0 C--N 1.331 -0.227 0 O-C-N 122.17 -0.331 . . . . 76.11 111.596 177.085 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 101' ' ' HOH . . . . . 0.659 ' O ' ' OD1' ' K' ' 43' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 102' ' ' HOH . . . . . 0.637 ' O ' ' OE1' ' K' ' 41' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_