data_5t51_residue 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 5t51 _Structure_validation_residue.Date_analyzed 2016-11-04 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.9 m . . . . . 0 CA--C 1.538 0.489 0 N-CA-C 108.646 -0.872 . . . . 106.97 108.646 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -62.43 142.41 90.51 Favored 'Trans proline' 0 N--CA 1.472 0.238 0 O-C-N 122.903 0.949 . . . . 95.590000000000003 114.209 -155.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.5 p -140.55 167.15 22.85 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 114.815 -1.084 . . . . 52.009999999999998 108.119 169.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 93.9 mmm -65.3 -27.59 68.73 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.667 -0.813 . . . . 38.130000000000003 110.897 170.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -65.33 -53.3 45.79 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.768 0.318 . . . . 76.319999999999993 111.191 178.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.1 p -66.82 -40.83 88.18 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.434 -0.507 . . . . 43.799999999999997 111.404 -176.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 m -66.38 -41.37 89.5 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.346 -0.542 . . . . 31.890000000000001 111.103 -179.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.8 t -61.52 -40.1 93.4 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.498 -0.481 . . . . 49.840000000000003 111.145 177.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.22 -43.59 81.65 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.478 -0.489 . . . . 53.670000000000002 111.101 178.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.3 tp -62.6 -33.36 74.84 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.94 -0.704 . . . . 44.460000000000001 111.057 176.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 83.5 m -62.05 -45.53 93.14 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.808 0.337 . . . . 28.66 110.94 175.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.09 -39.67 86.94 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.482 -0.487 . . . . 65.230000000000004 111.068 177.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -69.93 -41.16 74.95 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.675 -0.41 . . . . 38.359999999999999 111.543 -178.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -76.9 -36.35 56.74 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 112.049 0.389 . . . . 30.66 112.049 -174.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.47 6.59 59.7 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-O 119.217 -0.768 . . . . 31.850000000000001 114.206 -166.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -169.83 160.15 6.92 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 108.121 -1.066 . . . . 35.149999999999999 108.121 -176.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -63.48 141.93 82.66 Favored 'Trans proline' 0 C--O 1.241 0.626 0 C-N-CA 120.226 0.617 . . . . 32.079999999999998 110.917 175.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -53.72 -37.67 84.28 Favored 'Trans proline' 0 C--O 1.237 0.452 0 N-CA-C 113.925 0.702 . . . . 28.629999999999999 113.925 179.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.2 tp -70.33 -18.48 21.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 C-N-CA 120.491 -0.484 . . . . 46.539999999999999 111.778 -173.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.3 m -62.95 -32.41 73.73 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.14 -0.624 . . . . 37.859999999999999 111.611 176.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 tp -68.01 -49.31 62.29 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.488 -0.485 . . . . 37.920000000000002 110.819 176.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.5 t -59.53 -40.05 80.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-O 120.889 0.376 . . . . 36.229999999999997 110.322 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -61.42 -47.05 87.51 Favored 'General case' 0 C--O 1.236 0.387 0 O-C-N 121.902 -0.499 . . . . 57.100000000000001 111.081 179.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . 0.543 ' OD2' ' O ' ' A' ' 203' ' ' HOH . 22.4 m-20 -55.9 -45.41 78.66 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 122.073 -0.392 . . . . 46.509999999999998 111.115 177.42 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.1 mt -58.34 -56.77 14.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 121.294 0.568 . . . . 45.75 110.126 178.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.1 -42.0 94.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 O-C-N 122.076 -0.39 . . . . 44.460000000000001 110.526 -174.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -62.41 -35.01 77.88 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.045 -0.662 . . . . 50.189999999999998 111.05 177.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.41 75.04 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.434 -0.507 . . . . 35.719999999999999 111.42 -179.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.6 p -71.27 -30.24 39.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 C-N-CA 120.173 -0.611 . . . . 42.119999999999997 110.812 -175.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -71.9 -33.98 68.76 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.857 -0.737 . . . . 47.329999999999998 111.483 177.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -65.29 -45.36 84.71 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.526 -0.47 . . . . 76.459999999999994 110.761 173.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.5 mt -62.64 -39.81 86.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 120.886 0.374 . . . . 34.640000000000001 110.333 179.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 61.9 ttp -55.53 -48.46 74.66 Favored 'General case' 0 C--O 1.236 0.381 0 O-C-N 121.922 -0.486 . . . . 44.270000000000003 111.071 -179.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -74.71 -23.3 58.57 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 112.7 0.629 . . . . 49.899999999999999 112.7 -177.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -64.9 -37.27 87.07 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.986 -0.685 . . . . 66.530000000000001 110.787 168.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 65.0 m -74.73 -46.41 37.63 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 122.23 -0.294 . . . . 30.789999999999999 111.342 -174.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.0 p -64.89 -31.69 73.04 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 119.639 -0.824 . . . . 33.920000000000002 111.143 176.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -70.17 -40.6 74.59 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.581 -0.448 . . . . 46.399999999999999 111.1 176.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.88 -35.4 80.53 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.233 -0.587 . . . . 29.149999999999999 111.155 177.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 53.6 ttp -64.09 -47.47 79.95 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.727 -0.389 . . . . 54.270000000000003 111.017 -179.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -65.56 -35.41 80.76 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.36 -0.536 . . . . 63.840000000000003 111.03 179.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -67.02 -43.96 81.52 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.611 -0.436 . . . . 90.129999999999995 111.114 176.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -60.04 -46.5 89.33 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.654 -0.418 . . . . 45.689999999999998 111.107 178.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.1 mt -74.47 -37.87 63.08 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.55 -0.46 . . . . 36.020000000000003 111.536 -174.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 81.9 mmm -64.32 -37.61 88.11 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.081 -0.648 . . . . 61.93 111.235 -179.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -54.24 -27.32 34.01 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.283 -0.567 . . . . 33.990000000000002 110.953 171.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 57.6 mtt85 -119.7 46.86 1.83 Allowed 'General case' 0 C--O 1.236 0.355 0 C-N-CA 123.153 0.581 . . . . 33.259999999999998 110.054 -176.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.9 p-10 -86.42 -14.62 42.78 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 113.545 0.943 . . . . 54.420000000000002 113.545 -171.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.4 mt -112.68 127.27 70.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 108.13 -1.063 . . . . 83.530000000000001 108.13 178.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.3 pt -138.51 125.71 27.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 N-CA-C 107.828 -1.175 . . . . 83.5 107.828 177.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 70.06 -97.27 0.57 Allowed Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 110.951 -0.86 . . . . 78.840000000000003 110.951 -170.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -138.51 -11.74 1.37 Allowed 'General case' 0 C--O 1.235 0.3 0 N-CA-C 113.988 1.107 . . . . 83.909999999999997 113.988 176.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . 0.728 ' NZ ' ' O ' ' A' ' 204' ' ' HOH . 79.4 tttt -86.04 153.18 22.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 119.608 1.094 . . . . 107.2 110.631 -178.42 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -109.71 110.0 20.88 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 108.251 -1.018 . . . . 76.680000000000007 108.251 -178.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -95.24 13.83 24.24 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.814 0.672 . . . . 83.099999999999994 112.814 -178.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.4 t -50.41 -35.67 29.48 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 118.082 0.401 . . . . 68.0 111.418 -179.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -68.88 -56.84 6.66 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.986 0.422 . . . . 89.810000000000002 111.113 -179.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -58.27 -29.04 65.5 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 122.175 -0.328 . . . . 76.209999999999994 111.845 -177.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.3 mt -67.28 -49.2 74.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 120.891 0.377 . . . . 53.969999999999999 110.524 -178.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LYS . . . . . 0.792 ' NZ ' ' O ' ' A' ' 202' ' ' HOH . 31.9 mtmm -66.28 -42.34 88.53 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.123 -0.631 . . . . 110.86 111.562 -174.525 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 pp -71.79 -36.21 57.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 119.857 -0.737 . . . . 63.990000000000002 110.252 178.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.32 -39.31 94.25 Favored Glycine 0 C--N 1.334 0.471 0 C-N-CA 120.149 -1.024 . . . . 48.770000000000003 112.592 -179.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 74.9 p -70.46 -32.59 70.21 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 122.199 -0.589 . . . . 59.729999999999997 111.3 176.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.82 -31.3 72.18 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.559 -0.457 . . . . 46.82 111.325 176.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -74.86 -36.58 62.32 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.308 -0.557 . . . . 100.45999999999999 111.153 178.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 13.7 tp -70.17 -37.48 75.19 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.77 -0.772 . . . . 67.579999999999998 110.931 178.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -58.87 -42.89 90.52 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.274 -0.57 . . . . 47.350000000000001 110.886 175.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 34.8 t -63.89 -36.36 83.67 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.141 -0.624 . . . . 49.799999999999997 111.023 178.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.8 mt -67.48 -37.12 82.39 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.247 -0.581 . . . . 52.030000000000001 111.214 176.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.4 mt -71.5 -40.59 70.08 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.198 -0.601 . . . . 47.560000000000002 111.254 178.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -53.43 -41.85 66.47 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.413 -0.515 . . . . 47.649999999999999 110.973 174.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -71.47 -41.44 69.37 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.48 -0.488 . . . . 61.149999999999999 111.337 -177.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' SER . . . . . 0.409 ' O ' ' ND2' ' A' ' 79' ' ' ASN . 75.0 m -64.18 -50.47 67.98 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.312 -0.555 . . . . 59.869999999999997 110.754 176.681 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.4 t -55.33 -48.56 76.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.224 0.535 . . . . 36.350000000000001 110.162 177.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.22 -43.81 92.32 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.162 -0.615 . . . . 46.689999999999998 111.215 -179.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -66.11 -47.67 73.42 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.583 -0.447 . . . . 88.579999999999998 111.28 -177.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 75' ' ' SER . 70.4 m-80 -74.32 -39.3 62.94 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.421 -0.512 . . . . 46.259999999999998 111.56 -169.908 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -83.7 -16.41 45.05 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 119.835 -0.746 . . . . 32.159999999999997 112.666 -177.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -64.12 -41.88 97.06 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.756 -0.777 . . . . 56.020000000000003 110.432 164.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.06 -45.6 92.82 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.867 0.365 . . . . 59.68 110.914 172.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.0 tt -55.82 -47.61 76.89 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.612 -0.435 . . . . 34.240000000000002 110.879 177.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -54.74 -49.7 70.17 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.809 0.338 . . . . 68.530000000000001 111.103 -179.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.3 mt -58.38 -55.95 28.39 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.015 0.436 . . . . 53.759999999999998 111.051 179.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -53.2 -49.81 65.97 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.871 0.367 . . . . 51.850000000000001 111.347 -178.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 54.5 t -58.22 -47.37 87.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.1 0.476 . . . . 32.689999999999998 110.423 -176.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.16 -17.23 62.55 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 121.791 -0.568 . . . . 50.670000000000002 112.415 -176.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ARG . . . . . 0.621 ' NE ' ' O ' ' A' ' 201' ' ' HOH . 27.1 mtp-105 -98.34 -32.62 11.43 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 113.428 0.899 . . . . 96.739999999999995 113.428 -178.83 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -120.23 -8.04 9.74 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 114.278 1.214 . . . . 48.43 114.278 -170.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 84.2 mt -125.89 -63.1 1.28 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 118.991 0.814 . . . . 33.240000000000002 109.269 -175.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.4 mt -89.56 63.71 6.38 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 122.329 1.061 . . . . 43.539999999999999 110.201 177.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.7 t -153.67 148.94 27.01 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.047 -0.979 . . . . 64.629999999999995 109.386 -177.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 65.2 mt -106.99 122.1 42.67 Favored Pre-proline 0 C--O 1.238 0.471 0 N-CA-C 107.504 -1.295 . . . . 52.789999999999999 107.504 178.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -55.36 177.01 0.13 Allowed 'Trans proline' 0 C--O 1.236 0.378 0 CA-C-N 119.476 0.849 . . . . 70.519999999999996 112.919 176.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.3 m -74.18 0.28 14.49 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 113.554 0.946 . . . . 95.959999999999994 113.554 -174.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ASP . . . . . 0.551 ' OD1' ' N ' ' A' ' 98' ' ' LEU . 5.0 p30 -60.9 -45.03 96.25 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 119.138 0.881 . . . . 116.19 111.286 -178.608 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LEU . . . . . 0.551 ' N ' ' OD1' ' A' ' 97' ' ' ASP . 86.5 mt . . . . . 0 N--CA 1.468 0.461 0 N-CA-C 113.413 0.894 . . . . 111.89 113.413 -178.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . 0.746 ' OE1' ' O ' ' B' 1101 ' ' HOH . 6.7 pm0 . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.633 0.254 . . . . 76.140000000000001 110.459 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -88.46 121.98 31.44 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 108.853 -0.795 . . . . 51.909999999999997 108.853 174.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 8.4 tp -132.41 -20.03 1.02 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.8 0 N-CA-C 113.449 0.907 . . . . 45.140000000000001 113.449 -177.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ARG . . . . . 0.402 ' NH2' ' O3 ' ' B' 1000 ' ' SO4 . 56.1 mtt85 -73.99 -48.06 32.89 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 120.097 1.317 . . . . 62.240000000000002 111.916 -167.232 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -59.57 -33.27 71.22 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 119.03 -1.068 . . . . 34.850000000000001 111.103 177.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -70.34 -40.26 74.22 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.529 -0.469 . . . . 71.450000000000003 111.253 178.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -56.46 -40.78 75.42 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.791 -0.764 . . . . 76.579999999999998 110.636 171.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 56.1 tp -66.65 -47.55 72.19 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.741 -0.384 . . . . 29.420000000000002 111.11 -177.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 71.3 t -61.0 -37.86 78.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 C-N-CA 120.389 -0.525 . . . . 33.090000000000003 110.299 179.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -72.78 -45.92 56.02 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 121.839 -0.538 . . . . 35.119999999999997 111.471 -174.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 23.8 m -72.3 -35.46 52.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 C-N-CA 119.074 -1.05 . . . . 41.509999999999998 110.724 -176.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 35.7 m -58.15 -49.17 77.93 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.97 -0.692 . . . . 28.920000000000002 110.547 173.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -61.33 -42.21 98.31 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.654 -0.419 . . . . 25.739999999999998 110.933 177.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -58.03 -51.37 69.95 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.877 0.37 . . . . 61.140000000000001 111.08 175.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.69 -37.77 76.8 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.64 -0.424 . . . . 26.109999999999999 111.367 -177.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.74 -47.38 75.5 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.355 -0.538 . . . . 28.969999999999999 111.065 -179.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -64.28 -38.11 89.89 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.227 -0.589 . . . . 51.399999999999999 111.206 -177.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -67.16 -32.2 73.14 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.522 -0.471 . . . . 63.259999999999998 111.823 179.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 39.3 m -72.23 -26.87 62.19 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 112.254 0.464 . . . . 42.18 112.254 -172.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 10.0 pt -98.44 13.33 4.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 118.29 0.495 . . . . 50.119999999999997 112.109 -179.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -57.16 -53.54 56.89 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.151 -0.62 . . . . 128.75999999999999 111.168 -178.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -67.86 -6.75 23.21 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.804 0.668 . . . . 87.459999999999994 112.804 -177.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 tt -90.52 -21.41 21.82 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 118.467 0.576 . . . . 66.780000000000001 112.235 169.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -80.62 -19.63 44.99 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 112.423 0.527 . . . . 84.140000000000001 112.423 175.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 86.0 p -76.46 114.96 15.75 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 108.919 -0.771 . . . . 80.230000000000004 108.919 -179.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 32.1 t-105 -63.35 -11.42 22.39 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 112.479 0.548 . . . . 107.09999999999999 112.479 177.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -82.86 -40.45 20.25 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 118.359 0.527 . . . . 114.45999999999999 111.849 178.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -65.12 -44.04 90.04 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.205 -0.598 . . . . 76.969999999999999 110.926 174.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 64.7 mt -66.88 -14.55 18.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 112.21 0.448 . . . . 73.939999999999998 112.21 175.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -90.43 -18.43 25.42 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 113.23 0.826 . . . . 111.34999999999999 113.23 176.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -101.59 -17.5 16.33 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 113.562 0.949 . . . . 98.599999999999994 113.562 179.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' CYS . . . . . 0.793 ' N ' ' O ' ' B' 1102 ' ' HOH . 81.2 m -75.26 -20.15 59.33 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 118.687 0.676 . . . . 75.25 111.823 166.71 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' PHE . . . . . 0.616 ' N ' ' O ' ' B' 1102 ' ' HOH . 39.8 m-85 -132.54 71.13 79.23 Favored Pre-proline 0 C--O 1.238 0.457 0 N-CA-C 108.082 -1.081 . . . . 58.359999999999999 108.082 178.124 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -64.6 -54.72 0.68 Allowed 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 120.062 0.508 . . . . 75.760000000000005 113.036 -174.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -70.16 -44.02 69.66 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.418 -0.513 . . . . 90.409999999999997 111.253 -177.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -54.23 -29.86 48.04 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.651 -0.42 . . . . 72.939999999999998 111.274 177.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.81 -50.17 43.72 Favored Glycine 0 C--N 1.335 0.495 0 C-N-CA 120.203 -0.998 . . . . 82.450000000000003 112.446 176.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -51.11 -26.41 6.53 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 122.141 -0.623 . . . . 102.08 112.237 -176.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 62.1 p -73.53 145.11 45.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.222 0.534 . . . . 81.680000000000007 110.551 179.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.03 -53.86 49.56 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.887 -0.597 . . . . 97.150000000000006 111.348 -177.258 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -80.03 -22.74 42.05 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 112.669 0.618 . . . . 98.680000000000007 112.669 -177.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -59.94 -35.43 86.98 Favored Glycine 0 C--N 1.334 0.449 0 C-N-CA 119.834 -1.174 . . . . 66.290000000000006 112.281 171.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 34.7 mm -59.53 -51.37 73.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 121.232 0.539 . . . . 95.450000000000003 109.9 171.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -59.72 -36.73 77.17 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.649 -0.42 . . . . 93.150000000000006 111.2 -177.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -70.23 -42.6 72.04 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.143 -0.623 . . . . 54.740000000000002 111.263 178.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 67.9 mt -62.37 -43.29 99.17 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.397 -0.521 . . . . 54.829999999999998 111.318 -179.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 9.7 t -68.53 -39.63 81.09 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.99 -0.684 . . . . 71.409999999999997 111.309 -175.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 84.0 t -69.96 -28.19 35.62 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 C-N-CA 119.904 -0.718 . . . . 53.439999999999998 110.182 175.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 35.6 t -68.37 -44.15 75.84 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 121.946 -0.471 . . . . 41.460000000000001 111.325 179.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -67.46 -35.98 80.26 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 119.577 -0.849 . . . . 103.52 111.023 179.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -58.2 -46.88 85.03 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.367 -0.533 . . . . 92.950000000000003 110.929 175.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -71.64 -33.25 68.75 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.61 -0.436 . . . . 73.709999999999994 111.893 -176.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 74.1 t -71.74 -43.52 69.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 C-N-CA 120.279 -0.568 . . . . 38.719999999999999 110.356 178.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.88 -40.18 82.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 O-C-N 121.881 -0.512 . . . . 61.060000000000002 110.172 176.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -60.58 -52.6 64.48 Favored 'General case' 0 C--O 1.236 0.373 0 O-C-N 121.83 -0.544 . . . . 116.3 110.792 176.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 57.9 tp -55.36 -42.16 73.53 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.739 -0.385 . . . . 41.740000000000002 111.019 178.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 23.0 t-105 -61.59 -44.14 97.57 Favored 'General case' 0 C--O 1.236 0.385 0 O-C-N 122.312 -0.243 . . . . 31.600000000000001 111.403 179.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 58.9 m -70.55 -45.73 64.9 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.744 -0.382 . . . . 45.130000000000003 111.249 -175.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' ASN . . . . . 0.61 ' OD1' ' NH2' ' B' ' 74' ' ' ARG . 23.4 m-20 -68.85 -42.17 77.47 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.328 -0.549 . . . . 50.32 111.529 -174.795 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 65.8 mt -67.36 -44.6 78.59 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 119.803 -0.759 . . . . 31.43 111.281 -179.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 89.1 p -63.03 -46.29 88.27 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.387 -0.525 . . . . 31.289999999999999 110.827 179.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' ARG . . . . . 0.61 ' NH2' ' OD1' ' B' ' 71' ' ' ASN . 49.2 mtm-85 -43.48 -63.73 0.78 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.473 0.654 . . . . 64.530000000000001 111.44 171.454 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 89.1 t -67.44 -40.32 84.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-N 115.887 -0.597 . . . . 37.240000000000002 110.915 -169.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -71.73 -34.59 69.68 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.184 -0.607 . . . . 85.450000000000003 111.716 -175.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -70.9 -39.88 72.52 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.447 -0.501 . . . . 28.129999999999999 111.294 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.18 -37.49 81.02 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.149 -0.62 . . . . 41.520000000000003 111.116 178.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.78 -45.66 81.99 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.553 -0.459 . . . . 27.91 110.81 173.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.63 -45.03 99.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.106 0.479 . . . . 35.770000000000003 110.377 179.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -62.12 -35.49 78.88 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.243 -0.583 . . . . 36.649999999999999 111.491 -177.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -74.37 -46.48 40.26 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 122.156 -0.34 . . . . 56.219999999999999 111.399 178.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' GLU . . . . . 0.437 ' OE2' ' O ' ' B' 1104 ' ' HOH . 73.7 mt-10 -52.4 -46.05 66.11 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.96 0.41 . . . . 34.049999999999997 111.204 179.839 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' ARG . . . . . . . . . . . . . 49.0 mtt-85 -92.48 6.84 45.62 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.88 0.696 . . . . 46.789999999999999 112.88 -174.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 25.9 t 51.35 36.35 16.16 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.434 0.635 . . . . 45.509999999999998 111.33 174.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 10.1 tp -69.37 -31.83 50.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 C-N-CA 119.858 -0.737 . . . . 29.25 111.572 -169.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -62.51 -52.57 62.97 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 121.429 -0.795 . . . . 52.75 110.909 179.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -55.61 -48.66 74.54 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.546 -0.462 . . . . 94.069999999999993 110.857 177.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.77 -40.21 94.34 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.506 -0.478 . . . . 37.770000000000003 111.333 -176.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 46.8 mt -73.36 -32.98 64.83 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 119.75 -0.78 . . . . 33.909999999999997 111.429 179.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -63.89 -42.22 97.51 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.189 -0.605 . . . . 32.719999999999999 110.907 174.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -67.68 -32.69 73.52 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.78 -0.368 . . . . 41.32 111.576 178.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 65.9 tp -70.25 -36.74 74.67 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.356 -0.538 . . . . 39.380000000000003 110.997 176.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.38 -42.2 99.23 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.263 -0.575 . . . . 42.880000000000003 110.979 173.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' ASP . . . . . 0.653 ' OD2' ' O ' ' B' 1103 ' ' HOH . 90.5 m-20 -61.31 -48.54 80.89 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.68 -0.408 . . . . 47.369999999999997 110.956 178.359 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 26.2 tp -59.58 -43.13 93.76 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.724 -0.39 . . . . 65.569999999999993 111.148 -180.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.35 -46.73 92.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 CA-C-O 121.115 0.483 . . . . 44.210000000000001 110.293 179.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -63.45 -37.64 88.08 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.313 -0.555 . . . . 64.390000000000001 111.07 179.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -65.9 -37.11 85.24 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.795 -0.362 . . . . 84.849999999999994 111.282 179.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.31 -38.51 91.42 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.681 -0.407 . . . . 66.409999999999997 111.288 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -84.56 -5.24 59.28 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 113.038 0.755 . . . . 79.959999999999994 113.038 -176.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 38.8 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 118.568 0.622 . . . . 76.349999999999994 110.643 176.374 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1000 ' ' SO4 . . . . . 0.402 ' O3 ' ' NH2' ' B' ' 16' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . 0.621 ' O ' ' NE ' ' A' ' 89' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . 0.792 ' O ' ' NZ ' ' A' ' 62' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . 0.543 ' O ' ' OD2' ' A' ' 26' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . 0.728 ' O ' ' NZ ' ' A' ' 55' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1101 ' ' HOH . . . . . 0.746 ' O ' ' OE1' ' B' ' 13' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1102 ' ' HOH . . . . . 0.793 ' O ' ' N ' ' B' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1103 ' ' HOH . . . . . 0.653 ' O ' ' OD2' ' B' ' 95' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1104 ' ' HOH . . . . . 0.437 ' O ' ' OE2' ' B' ' 83' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1105 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1106 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1107 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1108 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1109 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1110 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1111 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1112 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1113 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1114 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1115 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1116 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1117 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1118 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1119 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1120 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1121 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1122 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1123 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1124 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1125 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1126 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1127 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1128 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1129 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1130 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1131 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1132 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1133 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.9 m . . . . . 0 CA--C 1.538 0.489 0 N-CA-C 108.646 -0.872 . . . . 89.140000000000001 108.646 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -62.43 142.41 90.51 Favored 'Trans proline' 0 N--CA 1.472 0.238 0 O-C-N 122.903 0.949 . . . . 79.659999999999997 114.209 -155.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.5 p -140.55 167.15 22.85 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 114.815 -1.084 . . . . 43.340000000000003 108.119 169.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 93.9 mmm -65.3 -27.59 68.73 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.667 -0.813 . . . . 38.130000000000003 110.897 170.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -65.33 -53.3 45.79 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.768 0.318 . . . . 70.909999999999997 111.191 178.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.1 p -66.82 -40.83 88.18 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.434 -0.507 . . . . 36.5 111.404 -176.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 m -66.38 -41.37 89.5 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.346 -0.542 . . . . 26.57 111.103 -179.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.8 t -61.52 -40.1 93.4 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.498 -0.481 . . . . 41.530000000000001 111.145 177.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.22 -43.59 81.65 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.478 -0.489 . . . . 44.719999999999999 111.101 178.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.3 tp -62.6 -33.36 74.84 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.94 -0.704 . . . . 37.049999999999997 111.057 176.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 83.5 m -62.05 -45.53 93.14 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.808 0.337 . . . . 26.739999999999998 110.94 175.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.09 -39.67 86.94 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.482 -0.487 . . . . 65.230000000000004 111.068 177.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -69.93 -41.16 74.95 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.675 -0.41 . . . . 31.960000000000001 111.543 -178.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -76.9 -36.35 56.74 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 112.049 0.389 . . . . 25.550000000000001 112.049 -174.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.47 6.59 59.7 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-O 119.217 -0.768 . . . . 27.670000000000002 114.206 -166.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -169.83 160.15 6.92 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 108.121 -1.066 . . . . 29.289999999999999 108.121 -176.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -63.48 141.93 82.66 Favored 'Trans proline' 0 C--O 1.241 0.626 0 C-N-CA 120.226 0.617 . . . . 26.739999999999998 110.917 175.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -53.72 -37.67 84.28 Favored 'Trans proline' 0 C--O 1.237 0.452 0 N-CA-C 113.925 0.702 . . . . 23.859999999999999 113.925 179.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.2 tp -70.33 -18.48 21.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 C-N-CA 120.491 -0.484 . . . . 38.780000000000001 111.778 -173.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.3 m -62.95 -32.41 73.73 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.14 -0.624 . . . . 31.550000000000001 111.611 176.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 tp -68.01 -49.31 62.29 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.488 -0.485 . . . . 31.600000000000001 110.819 176.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.5 t -59.53 -40.05 80.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-O 120.889 0.376 . . . . 30.739999999999998 110.322 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -61.42 -47.05 87.51 Favored 'General case' 0 C--O 1.236 0.387 0 O-C-N 121.902 -0.499 . . . . 57.100000000000001 111.081 179.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . 0.543 ' OD2' ' O ' ' A' ' 203' ' ' HOH . 22.4 m-20 -55.9 -45.41 78.66 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 122.073 -0.392 . . . . 46.509999999999998 111.115 177.42 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.1 mt -58.34 -56.77 14.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 121.294 0.568 . . . . 38.119999999999997 110.126 178.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.1 -42.0 94.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 O-C-N 122.076 -0.39 . . . . 37.049999999999997 110.526 -174.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -62.41 -35.01 77.88 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.045 -0.662 . . . . 41.82 111.05 177.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.41 75.04 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.434 -0.507 . . . . 29.77 111.42 -179.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.6 p -71.27 -30.24 39.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 C-N-CA 120.173 -0.611 . . . . 35.100000000000001 110.812 -175.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -71.9 -33.98 68.76 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.857 -0.737 . . . . 39.439999999999998 111.483 177.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -65.29 -45.36 84.71 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.526 -0.47 . . . . 76.459999999999994 110.761 173.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.5 mt -62.64 -39.81 86.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 120.886 0.374 . . . . 28.870000000000001 110.333 179.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 61.9 ttp -55.53 -48.46 74.66 Favored 'General case' 0 C--O 1.236 0.381 0 O-C-N 121.922 -0.486 . . . . 36.890000000000001 111.071 -179.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -74.71 -23.3 58.57 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 112.7 0.629 . . . . 45.460000000000001 112.7 -177.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -64.9 -37.27 87.07 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.986 -0.685 . . . . 55.439999999999998 110.787 168.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 65.0 m -74.73 -46.41 37.63 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 122.23 -0.294 . . . . 25.66 111.342 -174.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.0 p -64.89 -31.69 73.04 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 119.639 -0.824 . . . . 30.32 111.143 176.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -70.17 -40.6 74.59 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.581 -0.448 . . . . 43.240000000000002 111.1 176.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.88 -35.4 80.53 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.233 -0.587 . . . . 29.149999999999999 111.155 177.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 53.6 ttp -64.09 -47.47 79.95 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.727 -0.389 . . . . 45.229999999999997 111.017 -179.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -65.56 -35.41 80.76 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.36 -0.536 . . . . 63.840000000000003 111.03 179.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -67.02 -43.96 81.52 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.611 -0.436 . . . . 75.109999999999999 111.114 176.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -60.04 -46.5 89.33 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.654 -0.418 . . . . 38.079999999999998 111.107 178.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.1 mt -74.47 -37.87 63.08 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.55 -0.46 . . . . 30.219999999999999 111.536 -174.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 81.9 mmm -64.32 -37.61 88.11 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.081 -0.648 . . . . 51.609999999999999 111.235 -179.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -54.24 -27.32 34.01 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.283 -0.567 . . . . 33.990000000000002 110.953 171.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 57.6 mtt85 -119.7 46.86 1.83 Allowed 'General case' 0 C--O 1.236 0.355 0 C-N-CA 123.153 0.581 . . . . 30.579999999999998 110.054 -176.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.9 p-10 -86.42 -14.62 42.78 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 113.545 0.943 . . . . 45.350000000000001 113.545 -171.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.4 mt -112.68 127.27 70.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 108.13 -1.063 . . . . 69.609999999999999 108.13 178.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.3 pt -138.51 125.71 27.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 N-CA-C 107.828 -1.175 . . . . 69.579999999999998 107.828 177.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 70.06 -97.27 0.57 Allowed Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 110.951 -0.86 . . . . 65.700000000000003 110.951 -170.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -138.51 -11.74 1.37 Allowed 'General case' 0 C--O 1.235 0.3 0 N-CA-C 113.988 1.107 . . . . 69.930000000000007 113.988 176.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . 0.728 ' NZ ' ' O ' ' A' ' 204' ' ' HOH . 79.4 tttt -86.04 153.18 22.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 119.608 1.094 . . . . 89.329999999999998 110.631 -178.42 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -109.71 110.0 20.88 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 108.251 -1.018 . . . . 65.189999999999998 108.251 -178.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -95.24 13.83 24.24 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.814 0.672 . . . . 69.25 112.814 -178.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.4 t -50.41 -35.67 29.48 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 118.082 0.401 . . . . 56.670000000000002 111.418 -179.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -68.88 -56.84 6.66 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.986 0.422 . . . . 89.810000000000002 111.113 -179.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -58.27 -29.04 65.5 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 122.175 -0.328 . . . . 76.209999999999994 111.845 -177.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.3 mt -67.28 -49.2 74.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 120.891 0.377 . . . . 44.979999999999997 110.524 -178.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LYS . . . . . 0.715 ' NZ ' ' O ' ' A' ' 202' ' ' HOH . 31.9 mtmm -66.28 -42.34 88.53 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.123 -0.631 . . . . 92.390000000000001 111.562 -174.525 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 pp -71.79 -36.21 57.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 119.857 -0.737 . . . . 53.329999999999998 110.252 178.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.32 -39.31 94.25 Favored Glycine 0 C--N 1.334 0.471 0 C-N-CA 120.149 -1.024 . . . . 40.640000000000001 112.592 -179.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 74.9 p -70.46 -32.59 70.21 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 122.199 -0.589 . . . . 49.780000000000001 111.3 176.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.82 -31.3 72.18 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.559 -0.457 . . . . 40.009999999999998 111.325 176.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -74.86 -36.58 62.32 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.308 -0.557 . . . . 83.719999999999999 111.153 178.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 13.7 tp -70.17 -37.48 75.19 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.77 -0.772 . . . . 56.32 110.931 178.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -58.87 -42.89 90.52 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.274 -0.57 . . . . 47.350000000000001 110.886 175.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 34.8 t -63.89 -36.36 83.67 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.141 -0.624 . . . . 41.5 111.023 178.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.8 mt -67.48 -37.12 82.39 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.247 -0.581 . . . . 43.359999999999999 111.214 176.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.4 mt -71.5 -40.59 70.08 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.198 -0.601 . . . . 39.630000000000003 111.254 178.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -53.43 -41.85 66.47 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.413 -0.515 . . . . 46.350000000000001 110.973 174.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -71.47 -41.44 69.37 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.48 -0.488 . . . . 50.960000000000001 111.337 -177.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' SER . . . . . 0.409 ' O ' ' ND2' ' A' ' 79' ' ' ASN . 75.0 m -64.18 -50.47 67.98 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.312 -0.555 . . . . 49.890000000000001 110.754 176.681 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.4 t -55.33 -48.56 76.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.224 0.535 . . . . 30.289999999999999 110.162 177.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.22 -43.81 92.32 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.162 -0.615 . . . . 46.689999999999998 111.215 -179.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -66.11 -47.67 73.42 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.583 -0.447 . . . . 73.819999999999993 111.28 -177.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 75' ' ' SER . 70.4 m-80 -74.32 -39.3 62.94 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.421 -0.512 . . . . 38.549999999999997 111.56 -169.908 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -83.7 -16.41 45.05 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 119.835 -0.746 . . . . 26.800000000000001 112.666 -177.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -64.12 -41.88 97.06 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.756 -0.777 . . . . 56.020000000000003 110.432 164.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.06 -45.6 92.82 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.867 0.365 . . . . 49.729999999999997 110.914 172.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.0 tt -55.82 -47.61 76.89 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.612 -0.435 . . . . 28.530000000000001 110.879 177.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -54.74 -49.7 70.17 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.809 0.338 . . . . 68.530000000000001 111.103 -179.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.3 mt -58.38 -55.95 28.39 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.015 0.436 . . . . 44.799999999999997 111.051 179.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -53.2 -49.81 65.97 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.871 0.367 . . . . 43.210000000000001 111.347 -178.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 54.5 t -58.22 -47.37 87.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.1 0.476 . . . . 29.039999999999999 110.423 -176.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.16 -17.23 62.55 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 121.791 -0.568 . . . . 42.229999999999997 112.415 -176.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ARG . . . . . 0.621 ' NE ' ' O ' ' A' ' 201' ' ' HOH . 27.1 mtp-105 -98.34 -32.62 11.43 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 113.428 0.899 . . . . 80.620000000000005 113.428 -178.83 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -120.23 -8.04 9.74 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 114.278 1.214 . . . . 41.200000000000003 114.278 -170.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 84.2 mt -125.89 -63.1 1.28 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 118.991 0.814 . . . . 31.300000000000001 109.269 -175.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.4 mt -89.56 63.71 6.38 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 122.329 1.061 . . . . 43.539999999999999 110.201 177.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.7 t -153.67 148.94 27.01 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.047 -0.979 . . . . 53.859999999999999 109.386 -177.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 65.2 mt -106.99 122.1 42.67 Favored Pre-proline 0 C--O 1.238 0.471 0 N-CA-C 107.504 -1.295 . . . . 52.789999999999999 107.504 178.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -55.36 177.01 0.13 Allowed 'Trans proline' 0 C--O 1.236 0.378 0 CA-C-N 119.476 0.849 . . . . 70.519999999999996 112.919 176.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.3 m -74.18 0.28 14.49 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 113.554 0.946 . . . . 79.969999999999999 113.554 -174.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ASP . . . . . 0.551 ' OD1' ' N ' ' A' ' 98' ' ' LEU . 5.0 p30 -60.9 -45.03 96.25 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 119.138 0.881 . . . . 116.19 111.286 -178.608 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LEU . . . . . 0.551 ' N ' ' OD1' ' A' ' 97' ' ' ASP . 86.5 mt . . . . . 0 N--CA 1.468 0.461 0 N-CA-C 113.413 0.894 . . . . 94.939999999999998 113.413 -178.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . 0.746 ' OE1' ' O ' ' B' 1101 ' ' HOH . 6.7 pm0 . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.633 0.254 . . . . 76.140000000000001 110.459 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -88.46 121.98 31.44 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 108.853 -0.795 . . . . 43.259999999999998 108.853 174.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 8.4 tp -132.41 -20.03 1.02 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.8 0 N-CA-C 113.449 0.907 . . . . 37.609999999999999 113.449 -177.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ARG . . . . . 0.402 ' NH2' ' O3 ' ' B' 1000 ' ' SO4 . 56.1 mtt85 -73.99 -48.06 32.89 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 120.097 1.317 . . . . 51.869999999999997 111.916 -167.232 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -59.57 -33.27 71.22 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 119.03 -1.068 . . . . 29.039999999999999 111.103 177.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -70.34 -40.26 74.22 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.529 -0.469 . . . . 71.450000000000003 111.253 178.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -56.46 -40.78 75.42 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.791 -0.764 . . . . 63.82 110.636 171.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 56.1 tp -66.65 -47.55 72.19 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.741 -0.384 . . . . 24.52 111.11 -177.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 71.3 t -61.0 -37.86 78.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 C-N-CA 120.389 -0.525 . . . . 27.579999999999998 110.299 179.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -72.78 -45.92 56.02 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 121.839 -0.538 . . . . 30.52 111.471 -174.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 23.8 m -72.3 -35.46 52.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 C-N-CA 119.074 -1.05 . . . . 34.590000000000003 110.724 -176.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 35.7 m -58.15 -49.17 77.93 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.97 -0.692 . . . . 24.100000000000001 110.547 173.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -61.33 -42.21 98.31 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.654 -0.419 . . . . 25.739999999999998 110.933 177.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -58.03 -51.37 69.95 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.877 0.37 . . . . 50.950000000000003 111.08 175.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.69 -37.77 76.8 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.64 -0.424 . . . . 21.760000000000002 111.367 -177.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.74 -47.38 75.5 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.355 -0.538 . . . . 26.170000000000002 111.065 -179.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -64.28 -38.11 89.89 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.227 -0.589 . . . . 51.399999999999999 111.206 -177.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -67.16 -32.2 73.14 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.522 -0.471 . . . . 63.259999999999998 111.823 179.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 39.3 m -72.23 -26.87 62.19 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 112.254 0.464 . . . . 42.18 112.254 -172.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 10.0 pt -98.44 13.33 4.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 118.29 0.495 . . . . 43.299999999999997 112.109 -179.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -57.16 -53.54 56.89 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.151 -0.62 . . . . 107.3 111.168 -178.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -67.86 -6.75 23.21 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.804 0.668 . . . . 72.890000000000001 112.804 -177.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 tt -90.52 -21.41 21.82 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 118.467 0.576 . . . . 55.649999999999999 112.235 169.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -80.62 -19.63 44.99 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 112.423 0.527 . . . . 70.120000000000005 112.423 175.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 86.0 p -76.46 114.96 15.75 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 108.919 -0.771 . . . . 66.849999999999994 108.919 -179.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 32.1 t-105 -63.35 -11.42 22.39 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 112.479 0.548 . . . . 89.25 112.479 177.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -82.86 -40.45 20.25 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 118.359 0.527 . . . . 114.45999999999999 111.849 178.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -65.12 -44.04 90.04 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.205 -0.598 . . . . 64.140000000000001 110.926 174.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 64.7 mt -66.88 -14.55 18.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 112.21 0.448 . . . . 63.149999999999999 112.21 175.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -90.43 -18.43 25.42 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 113.23 0.826 . . . . 92.790000000000006 113.23 176.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -101.59 -17.5 16.33 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 113.562 0.949 . . . . 98.599999999999994 113.562 179.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' CYS . . . . . 0.793 ' N ' ' O ' ' B' 1102 ' ' HOH . 81.2 m -75.26 -20.15 59.33 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 118.687 0.676 . . . . 62.710000000000001 111.823 166.71 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' PHE . . . . . 0.536 ' N ' ' O ' ' B' 1102 ' ' HOH . 39.8 m-85 -132.54 71.13 79.23 Favored Pre-proline 0 C--O 1.238 0.457 0 N-CA-C 108.082 -1.081 . . . . 54.100000000000001 108.082 178.124 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -64.6 -54.72 0.68 Allowed 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 120.062 0.508 . . . . 68.200000000000003 113.036 -174.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -70.16 -44.02 69.66 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.418 -0.513 . . . . 81.409999999999997 111.253 -177.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -54.23 -29.86 48.04 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.651 -0.42 . . . . 60.789999999999999 111.274 177.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.81 -50.17 43.72 Favored Glycine 0 C--N 1.335 0.495 0 C-N-CA 120.203 -0.998 . . . . 74.989999999999995 112.446 176.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -51.11 -26.41 6.53 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 122.141 -0.623 . . . . 93.030000000000001 112.237 -176.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 62.1 p -73.53 145.11 45.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.222 0.534 . . . . 68.069999999999993 110.551 179.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.03 -53.86 49.56 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.887 -0.597 . . . . 80.959999999999994 111.348 -177.258 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -80.03 -22.74 42.05 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 112.669 0.618 . . . . 91.870000000000005 112.669 -177.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -59.94 -35.43 86.98 Favored Glycine 0 C--N 1.334 0.449 0 C-N-CA 119.834 -1.174 . . . . 55.240000000000002 112.281 171.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 34.7 mm -59.53 -51.37 73.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 121.232 0.539 . . . . 79.540000000000006 109.9 171.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -59.72 -36.73 77.17 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.649 -0.42 . . . . 86.209999999999994 111.2 -177.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -70.23 -42.6 72.04 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.143 -0.623 . . . . 45.619999999999997 111.263 178.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 67.9 mt -62.37 -43.29 99.17 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.397 -0.521 . . . . 45.689999999999998 111.318 -179.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 9.7 t -68.53 -39.63 81.09 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.99 -0.684 . . . . 59.5 111.309 -175.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 84.0 t -69.96 -28.19 35.62 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 C-N-CA 119.904 -0.718 . . . . 44.530000000000001 110.182 175.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 35.6 t -68.37 -44.15 75.84 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 121.946 -0.471 . . . . 34.549999999999997 111.325 179.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -67.46 -35.98 80.26 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 119.577 -0.849 . . . . 86.269999999999996 111.023 179.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -58.2 -46.88 85.03 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.367 -0.533 . . . . 83.739999999999995 110.929 175.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -71.64 -33.25 68.75 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.61 -0.436 . . . . 61.43 111.893 -176.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 74.1 t -71.74 -43.52 69.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 C-N-CA 120.279 -0.568 . . . . 32.270000000000003 110.356 178.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.88 -40.18 82.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 O-C-N 121.881 -0.512 . . . . 50.890000000000001 110.172 176.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -60.58 -52.6 64.48 Favored 'General case' 0 C--O 1.236 0.373 0 O-C-N 121.83 -0.544 . . . . 96.920000000000002 110.792 176.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 57.9 tp -55.36 -42.16 73.53 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.739 -0.385 . . . . 34.780000000000001 111.019 178.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 23.0 t-105 -61.59 -44.14 97.57 Favored 'General case' 0 C--O 1.236 0.385 0 O-C-N 122.312 -0.243 . . . . 26.329999999999998 111.403 179.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 58.9 m -70.55 -45.73 64.9 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.744 -0.382 . . . . 37.609999999999999 111.249 -175.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' ASN . . . . . 0.61 ' OD1' ' NH2' ' B' ' 74' ' ' ARG . 23.4 m-20 -68.85 -42.17 77.47 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.328 -0.549 . . . . 41.939999999999998 111.529 -174.795 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 65.8 mt -67.36 -44.6 78.59 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 119.803 -0.759 . . . . 26.190000000000001 111.281 -179.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 89.1 p -63.03 -46.29 88.27 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.387 -0.525 . . . . 26.170000000000002 110.827 179.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' ARG . . . . . 0.61 ' NH2' ' OD1' ' B' ' 71' ' ' ASN . 49.2 mtm-85 -43.48 -63.73 0.78 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.473 0.654 . . . . 53.770000000000003 111.44 171.454 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 89.1 t -67.44 -40.32 84.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-N 115.887 -0.597 . . . . 31.039999999999999 110.915 -169.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -71.73 -34.59 69.68 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.184 -0.607 . . . . 85.450000000000003 111.716 -175.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -70.9 -39.88 72.52 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.447 -0.501 . . . . 23.440000000000001 111.294 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.18 -37.49 81.02 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.149 -0.62 . . . . 41.520000000000003 111.116 178.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.78 -45.66 81.99 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.553 -0.459 . . . . 23.260000000000002 110.81 173.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.63 -45.03 99.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.106 0.479 . . . . 29.800000000000001 110.377 179.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -62.12 -35.49 78.88 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.243 -0.583 . . . . 30.539999999999999 111.491 -177.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -74.37 -46.48 40.26 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 122.156 -0.34 . . . . 46.850000000000001 111.399 178.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' GLU . . . . . 0.437 ' OE2' ' O ' ' B' 1104 ' ' HOH . 73.7 mt-10 -52.4 -46.05 66.11 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.96 0.41 . . . . 34.049999999999997 111.204 179.839 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 84' ' ' ARG . . . . . . . . . . . . . 49.0 mtt-85 -92.48 6.84 45.62 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.88 0.696 . . . . 38.990000000000002 112.88 -174.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 25.9 t 51.35 36.35 16.16 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.434 0.635 . . . . 37.93 111.33 174.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 10.1 tp -69.37 -31.83 50.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 C-N-CA 119.858 -0.737 . . . . 24.370000000000001 111.572 -169.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -62.51 -52.57 62.97 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 121.429 -0.795 . . . . 52.75 110.909 179.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -55.61 -48.66 74.54 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.546 -0.462 . . . . 94.069999999999993 110.857 177.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.77 -40.21 94.34 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.506 -0.478 . . . . 31.48 111.333 -176.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 46.8 mt -73.36 -32.98 64.83 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 119.75 -0.78 . . . . 28.260000000000002 111.429 179.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -63.89 -42.22 97.51 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.189 -0.605 . . . . 27.260000000000002 110.907 174.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -67.68 -32.69 73.52 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.78 -0.368 . . . . 34.439999999999998 111.576 178.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 65.9 tp -70.25 -36.74 74.67 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.356 -0.538 . . . . 32.810000000000002 110.997 176.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.38 -42.2 99.23 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.263 -0.575 . . . . 39.850000000000001 110.979 173.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' ASP . . . . . 0.653 ' OD2' ' O ' ' B' 1103 ' ' HOH . 90.5 m-20 -61.31 -48.54 80.89 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.68 -0.408 . . . . 47.369999999999997 110.956 178.359 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 26.2 tp -59.58 -43.13 93.76 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.724 -0.39 . . . . 54.640000000000001 111.148 -180.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.35 -46.73 92.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 CA-C-O 121.115 0.483 . . . . 43.869999999999997 110.293 179.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -63.45 -37.64 88.08 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.313 -0.555 . . . . 54.880000000000003 111.07 179.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -65.9 -37.11 85.24 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.795 -0.362 . . . . 70.709999999999994 111.282 179.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.31 -38.51 91.42 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.681 -0.407 . . . . 66.409999999999997 111.288 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -84.56 -5.24 59.28 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 113.038 0.755 . . . . 66.640000000000001 113.038 -176.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 38.8 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 118.568 0.622 . . . . 66.120000000000005 110.643 176.374 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1000 ' ' SO4 . . . . . 0.402 ' O3 ' ' NH2' ' B' ' 16' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . 0.621 ' O ' ' NE ' ' A' ' 89' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . 0.715 ' O ' ' NZ ' ' A' ' 62' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . 0.543 ' O ' ' OD2' ' A' ' 26' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . 0.728 ' O ' ' NZ ' ' A' ' 55' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1101 ' ' HOH . . . . . 0.746 ' O ' ' OE1' ' B' ' 13' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1102 ' ' HOH . . . . . 0.793 ' O ' ' N ' ' B' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1103 ' ' HOH . . . . . 0.653 ' O ' ' OD2' ' B' ' 95' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1104 ' ' HOH . . . . . 0.437 ' O ' ' OE2' ' B' ' 83' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1105 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1106 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1107 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1108 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1109 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1110 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1111 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1112 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1113 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1114 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1115 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1116 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1117 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1118 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1119 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1120 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1121 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1122 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1123 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1124 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1125 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1126 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1127 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1128 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1129 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1130 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1131 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1132 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1133 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.9 m . . . . . 0 CA--C 1.538 0.489 0 N-CA-C 108.646 -0.872 . . . . 89.14 108.646 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -62.43 142.41 90.51 Favored 'Trans proline' 0 N--CA 1.472 0.238 0 O-C-N 122.903 0.949 . . . . 79.66 114.209 -155.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.5 p -140.55 167.15 22.85 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 114.815 -1.084 . . . . 43.34 108.119 169.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 93.9 mmm -65.3 -27.59 68.73 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.667 -0.813 . . . . 38.13 110.897 170.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -65.33 -53.3 45.79 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.768 0.318 . . . . 70.91 111.191 178.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.1 p -66.82 -40.83 88.18 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.434 -0.507 . . . . 36.5 111.404 -176.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 m -66.38 -41.37 89.5 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.346 -0.542 . . . . 26.57 111.103 -179.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.8 t -61.52 -40.1 93.4 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.498 -0.481 . . . . 41.53 111.145 177.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.22 -43.59 81.65 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.478 -0.489 . . . . 44.72 111.101 178.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.3 tp -62.6 -33.36 74.84 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.94 -0.704 . . . . 37.05 111.057 176.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 83.5 m -62.05 -45.53 93.14 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.808 0.337 . . . . 26.74 110.94 175.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -60.09 -39.67 86.94 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.482 -0.487 . . . . 65.23 111.068 177.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -69.93 -41.16 74.95 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.675 -0.41 . . . . 31.96 111.543 -178.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.4 mt -76.9 -36.35 56.74 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 112.049 0.389 . . . . 25.55 112.049 -174.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.47 6.59 59.7 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-O 119.217 -0.768 . . . . 27.67 114.206 -166.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -169.83 160.15 6.92 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 108.121 -1.066 . . . . 29.29 108.121 -176.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -63.48 141.93 82.66 Favored 'Trans proline' 0 C--O 1.241 0.626 0 C-N-CA 120.226 0.617 . . . . 26.74 110.917 175.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -53.72 -37.67 84.28 Favored 'Trans proline' 0 C--O 1.237 0.452 0 N-CA-C 113.925 0.702 . . . . 23.86 113.925 179.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.2 tp -70.33 -18.48 21.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 C-N-CA 120.491 -0.484 . . . . 38.78 111.778 -173.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.3 m -62.95 -32.41 73.73 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.14 -0.624 . . . . 31.55 111.611 176.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 tp -68.01 -49.31 62.29 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.488 -0.485 . . . . 31.6 110.819 176.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.5 t -59.53 -40.05 80.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-O 120.889 0.376 . . . . 30.74 110.322 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -61.42 -47.05 87.51 Favored 'General case' 0 C--O 1.236 0.387 0 O-C-N 121.902 -0.499 . . . . 57.1 111.081 179.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.543 ' OD2' ' O ' ' A' ' 203' ' ' HOH . 22.4 m-20 -55.9 -45.41 78.66 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 122.073 -0.392 . . . . 46.51 111.115 177.42 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.1 mt -58.34 -56.77 14.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 121.294 0.568 . . . . 38.12 110.126 178.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.1 -42.0 94.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 O-C-N 122.076 -0.39 . . . . 37.05 110.526 -174.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -62.41 -35.01 77.88 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.045 -0.662 . . . . 41.82 111.05 177.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.42 -44.41 75.04 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.434 -0.507 . . . . 29.77 111.42 -179.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.6 p -71.27 -30.24 39.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 C-N-CA 120.173 -0.611 . . . . 35.1 110.812 -175.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -71.9 -33.98 68.76 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.857 -0.737 . . . . 39.44 111.483 177.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -65.29 -45.36 84.71 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.526 -0.47 . . . . 76.46 110.761 173.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.5 mt -62.64 -39.81 86.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 120.886 0.374 . . . . 28.87 110.333 179.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 61.9 ttp -55.53 -48.46 74.66 Favored 'General case' 0 C--O 1.236 0.381 0 O-C-N 121.922 -0.486 . . . . 36.89 111.071 -179.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -74.71 -23.3 58.57 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 112.7 0.629 . . . . 45.46 112.7 -177.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -64.9 -37.27 87.07 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.986 -0.685 . . . . 55.44 110.787 168.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 65.0 m -74.73 -46.41 37.63 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 122.23 -0.294 . . . . 25.66 111.342 -174.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.0 p -64.89 -31.69 73.04 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 119.639 -0.824 . . . . 30.32 111.143 176.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -70.17 -40.6 74.59 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.581 -0.448 . . . . 43.24 111.1 176.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.88 -35.4 80.53 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.233 -0.587 . . . . 29.15 111.155 177.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 53.6 ttp -64.09 -47.47 79.95 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.727 -0.389 . . . . 45.23 111.017 -179.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -65.56 -35.41 80.76 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.36 -0.536 . . . . 63.84 111.03 179.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -67.02 -43.96 81.52 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.611 -0.436 . . . . 75.11 111.114 176.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -60.04 -46.5 89.33 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.654 -0.418 . . . . 38.08 111.107 178.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.1 mt -74.47 -37.87 63.08 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.55 -0.46 . . . . 30.22 111.536 -174.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 81.9 mmm -64.32 -37.61 88.11 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.081 -0.648 . . . . 51.61 111.235 -179.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -54.24 -27.32 34.01 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.283 -0.567 . . . . 33.99 110.953 171.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 57.6 mtt85 -119.7 46.86 1.83 Allowed 'General case' 0 C--O 1.236 0.355 0 C-N-CA 123.153 0.581 . . . . 30.58 110.054 -176.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.9 p-10 -86.42 -14.62 42.78 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 113.545 0.943 . . . . 45.35 113.545 -171.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.4 mt -112.68 127.27 70.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 108.13 -1.063 . . . . 69.61 108.13 178.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.3 pt -138.51 125.71 27.14 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 N-CA-C 107.828 -1.175 . . . . 69.58 107.828 177.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 70.06 -97.27 0.57 Allowed Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 110.951 -0.86 . . . . 65.7 110.951 -170.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -138.51 -11.74 1.37 Allowed 'General case' 0 C--O 1.235 0.3 0 N-CA-C 113.988 1.107 . . . . 69.93 113.988 176.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.728 ' NZ ' ' O ' ' A' ' 204' ' ' HOH . 79.4 tttt -86.04 153.18 22.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 119.608 1.094 . . . . 89.33 110.631 -178.42 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -109.71 110.0 20.88 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 108.251 -1.018 . . . . 65.19 108.251 -178.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -95.24 13.83 24.24 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.814 0.672 . . . . 69.25 112.814 -178.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.4 t -50.41 -35.67 29.48 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 118.082 0.401 . . . . 56.67 111.418 -179.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -68.88 -56.84 6.66 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.986 0.422 . . . . 89.81 111.113 -179.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -58.27 -29.04 65.5 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 122.175 -0.328 . . . . 76.21 111.845 -177.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 69.3 mt -67.28 -49.2 74.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 120.891 0.377 . . . . 44.98 110.524 -178.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.715 ' NZ ' ' O ' ' A' ' 202' ' ' HOH . 31.9 mtmm -66.28 -42.34 88.53 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.123 -0.631 . . . . 92.39 111.562 -174.525 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 pp -71.79 -36.21 57.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 119.857 -0.737 . . . . 53.33 110.252 178.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.32 -39.31 94.25 Favored Glycine 0 C--N 1.334 0.471 0 C-N-CA 120.149 -1.024 . . . . 40.64 112.592 -179.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 74.9 p -70.46 -32.59 70.21 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 122.199 -0.589 . . . . 49.78 111.3 176.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.82 -31.3 72.18 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.559 -0.457 . . . . 40.01 111.325 176.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -74.86 -36.58 62.32 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.308 -0.557 . . . . 83.72 111.153 178.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 13.7 tp -70.17 -37.48 75.19 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.77 -0.772 . . . . 56.32 110.931 178.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -58.87 -42.89 90.52 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.274 -0.57 . . . . 47.35 110.886 175.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 34.8 t -63.89 -36.36 83.67 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.141 -0.624 . . . . 41.5 111.023 178.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.8 mt -67.48 -37.12 82.39 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.247 -0.581 . . . . 43.36 111.214 176.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.4 mt -71.5 -40.59 70.08 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.198 -0.601 . . . . 39.63 111.254 178.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -53.43 -41.85 66.47 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.413 -0.515 . . . . 46.35 110.973 174.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -71.47 -41.44 69.37 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.48 -0.488 . . . . 50.96 111.337 -177.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' SER . . . . . 0.409 ' O ' ' ND2' ' A' ' 79' ' ' ASN . 75.0 m -64.18 -50.47 67.98 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.312 -0.555 . . . . 49.89 110.754 176.681 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.4 t -55.33 -48.56 76.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.224 0.535 . . . . 30.29 110.162 177.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -59.22 -43.81 92.32 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.162 -0.615 . . . . 46.69 111.215 -179.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -66.11 -47.67 73.42 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.583 -0.447 . . . . 73.82 111.28 -177.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 75' ' ' SER . 70.4 m-80 -74.32 -39.3 62.94 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.421 -0.512 . . . . 38.55 111.56 -169.908 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -83.7 -16.41 45.05 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 119.835 -0.746 . . . . 26.8 112.666 -177.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -64.12 -41.88 97.06 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.756 -0.777 . . . . 56.02 110.432 164.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.06 -45.6 92.82 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.867 0.365 . . . . 49.73 110.914 172.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.0 tt -55.82 -47.61 76.89 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.612 -0.435 . . . . 28.53 110.879 177.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -54.74 -49.7 70.17 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.809 0.338 . . . . 68.53 111.103 -179.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.3 mt -58.38 -55.95 28.39 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.015 0.436 . . . . 44.8 111.051 179.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -53.2 -49.81 65.97 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.871 0.367 . . . . 43.21 111.347 -178.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 54.5 t -58.22 -47.37 87.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.1 0.476 . . . . 29.04 110.423 -176.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.16 -17.23 62.55 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 121.791 -0.568 . . . . 42.23 112.415 -176.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.621 ' NE ' ' O ' ' A' ' 201' ' ' HOH . 27.1 mtp-105 -98.34 -32.62 11.43 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 113.428 0.899 . . . . 80.62 113.428 -178.83 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -120.23 -8.04 9.74 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 114.278 1.214 . . . . 41.2 114.278 -170.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 84.2 mt -125.89 -63.1 1.28 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 118.991 0.814 . . . . 31.3 109.269 -175.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.4 mt -89.56 63.71 6.38 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 122.329 1.061 . . . . 43.54 110.201 177.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.7 t -153.67 148.94 27.01 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.047 -0.979 . . . . 53.86 109.386 -177.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 65.2 mt -106.99 122.1 42.67 Favored Pre-proline 0 C--O 1.238 0.471 0 N-CA-C 107.504 -1.295 . . . . 52.79 107.504 178.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -55.36 177.01 0.13 Allowed 'Trans proline' 0 C--O 1.236 0.378 0 CA-C-N 119.476 0.849 . . . . 70.52 112.919 176.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.3 m -74.18 0.28 14.49 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 113.554 0.946 . . . . 79.97 113.554 -174.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.551 ' OD1' ' N ' ' A' ' 98' ' ' LEU . 5.0 p30 -60.9 -45.03 96.25 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 119.138 0.881 . . . . 116.19 111.286 -178.608 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.551 ' N ' ' OD1' ' A' ' 97' ' ' ASP . 86.5 mt . . . . . 0 N--CA 1.468 0.461 0 N-CA-C 113.413 0.894 . . . . 94.94 113.413 -178.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.746 ' OE1' ' O ' ' B' 1101 ' ' HOH . 6.7 pm0 . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.633 0.254 . . . . 76.14 110.459 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -88.46 121.98 31.44 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 108.853 -0.795 . . . . 43.26 108.853 174.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 8.4 tp -132.41 -20.03 1.02 Allowed 'Isoleucine or valine' 0 C--O 1.244 0.8 0 N-CA-C 113.449 0.907 . . . . 37.61 113.449 -177.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.402 ' NH2' ' O3 ' ' B' 1000 ' ' SO4 . 56.1 mtt85 -73.99 -48.06 32.89 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 120.097 1.317 . . . . 51.87 111.916 -167.232 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -59.57 -33.27 71.22 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 119.03 -1.068 . . . . 29.04 111.103 177.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -70.34 -40.26 74.22 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.529 -0.469 . . . . 71.45 111.253 178.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -56.46 -40.78 75.42 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.791 -0.764 . . . . 63.82 110.636 171.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 56.1 tp -66.65 -47.55 72.19 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.741 -0.384 . . . . 24.52 111.11 -177.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 71.3 t -61.0 -37.86 78.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 C-N-CA 120.389 -0.525 . . . . 27.58 110.299 179.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -72.78 -45.92 56.02 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 121.839 -0.538 . . . . 30.52 111.471 -174.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 23.8 m -72.3 -35.46 52.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 C-N-CA 119.074 -1.05 . . . . 34.59 110.724 -176.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 35.7 m -58.15 -49.17 77.93 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.97 -0.692 . . . . 24.1 110.547 173.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -61.33 -42.21 98.31 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.654 -0.419 . . . . 25.74 110.933 177.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -58.03 -51.37 69.95 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.877 0.37 . . . . 50.95 111.08 175.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.69 -37.77 76.8 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.64 -0.424 . . . . 21.76 111.367 -177.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.74 -47.38 75.5 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.355 -0.538 . . . . 26.17 111.065 -179.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -64.28 -38.11 89.89 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.227 -0.589 . . . . 51.4 111.206 -177.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -67.16 -32.2 73.14 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.522 -0.471 . . . . 63.26 111.823 179.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 39.3 m -72.23 -26.87 62.19 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 112.254 0.464 . . . . 42.18 112.254 -172.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 10.0 pt -98.44 13.33 4.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 118.29 0.495 . . . . 43.3 112.109 -179.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -57.16 -53.54 56.89 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.151 -0.62 . . . . 107.3 111.168 -178.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -67.86 -6.75 23.21 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.804 0.668 . . . . 72.89 112.804 -177.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 tt -90.52 -21.41 21.82 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 118.467 0.576 . . . . 55.65 112.235 169.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -80.62 -19.63 44.99 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 112.423 0.527 . . . . 70.12 112.423 175.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 86.0 p -76.46 114.96 15.75 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 108.919 -0.771 . . . . 66.85 108.919 -179.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' TRP . . . . . . . . . . . . . 32.1 t-105 -63.35 -11.42 22.39 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 112.479 0.548 . . . . 89.25 112.479 177.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -82.86 -40.45 20.25 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 118.359 0.527 . . . . 114.46 111.849 178.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -65.12 -44.04 90.04 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.205 -0.598 . . . . 64.14 110.926 174.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 64.7 mt -66.88 -14.55 18.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 112.21 0.448 . . . . 63.15 112.21 175.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -90.43 -18.43 25.42 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 113.23 0.826 . . . . 92.79 113.23 176.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -101.59 -17.5 16.33 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 113.562 0.949 . . . . 98.6 113.562 179.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' CYS . . . . . 0.793 ' N ' ' O ' ' B' 1102 ' ' HOH . 81.2 m -75.26 -20.15 59.33 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 118.687 0.676 . . . . 62.71 111.823 166.71 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.536 ' N ' ' O ' ' B' 1102 ' ' HOH . 39.8 m-85 -132.54 71.13 79.23 Favored Pre-proline 0 C--O 1.238 0.457 0 N-CA-C 108.082 -1.081 . . . . 54.1 108.082 178.124 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -64.6 -54.72 0.68 Allowed 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 120.062 0.508 . . . . 68.2 113.036 -174.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -70.16 -44.02 69.66 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.418 -0.513 . . . . 81.41 111.253 -177.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -54.23 -29.86 48.04 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.651 -0.42 . . . . 60.79 111.274 177.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.81 -50.17 43.72 Favored Glycine 0 C--N 1.335 0.495 0 C-N-CA 120.203 -0.998 . . . . 74.99 112.446 176.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -51.11 -26.41 6.53 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 122.141 -0.623 . . . . 93.03 112.237 -176.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 62.1 p -73.53 145.11 45.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.222 0.534 . . . . 68.07 110.551 179.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.03 -53.86 49.56 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.887 -0.597 . . . . 80.96 111.348 -177.258 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -80.03 -22.74 42.05 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 112.669 0.618 . . . . 91.87 112.669 -177.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -59.94 -35.43 86.98 Favored Glycine 0 C--N 1.334 0.449 0 C-N-CA 119.834 -1.174 . . . . 55.24 112.281 171.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 34.7 mm -59.53 -51.37 73.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 121.232 0.539 . . . . 79.54 109.9 171.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -59.72 -36.73 77.17 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.649 -0.42 . . . . 86.21 111.2 -177.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -70.23 -42.6 72.04 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.143 -0.623 . . . . 45.62 111.263 178.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 67.9 mt -62.37 -43.29 99.17 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.397 -0.521 . . . . 45.69 111.318 -179.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 9.7 t -68.53 -39.63 81.09 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.99 -0.684 . . . . 59.5 111.309 -175.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 84.0 t -69.96 -28.19 35.62 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 C-N-CA 119.904 -0.718 . . . . 44.53 110.182 175.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 35.6 t -68.37 -44.15 75.84 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 121.946 -0.471 . . . . 34.55 111.325 179.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -67.46 -35.98 80.26 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 119.577 -0.849 . . . . 86.27 111.023 179.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -58.2 -46.88 85.03 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.367 -0.533 . . . . 83.74 110.929 175.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -71.64 -33.25 68.75 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.61 -0.436 . . . . 61.43 111.893 -176.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 74.1 t -71.74 -43.52 69.92 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 C-N-CA 120.279 -0.568 . . . . 32.27 110.356 178.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.88 -40.18 82.09 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 O-C-N 121.881 -0.512 . . . . 50.89 110.172 176.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -60.58 -52.6 64.48 Favored 'General case' 0 C--O 1.236 0.373 0 O-C-N 121.83 -0.544 . . . . 96.92 110.792 176.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 57.9 tp -55.36 -42.16 73.53 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.739 -0.385 . . . . 34.78 111.019 178.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' TRP . . . . . . . . . . . . . 23.0 t-105 -61.59 -44.14 97.57 Favored 'General case' 0 C--O 1.236 0.385 0 O-C-N 122.312 -0.243 . . . . 26.33 111.403 179.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 58.9 m -70.55 -45.73 64.9 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.744 -0.382 . . . . 37.61 111.249 -175.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' ASN . . . . . 0.61 ' OD1' ' NH2' ' B' ' 74' ' ' ARG . 23.4 m-20 -68.85 -42.17 77.47 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.328 -0.549 . . . . 41.94 111.529 -174.795 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 65.8 mt -67.36 -44.6 78.59 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 119.803 -0.759 . . . . 26.19 111.281 -179.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 89.1 p -63.03 -46.29 88.27 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.387 -0.525 . . . . 26.17 110.827 179.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.61 ' NH2' ' OD1' ' B' ' 71' ' ' ASN . 49.2 mtm-85 -43.48 -63.73 0.78 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.473 0.654 . . . . 53.77 111.44 171.454 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 89.1 t -67.44 -40.32 84.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-N 115.887 -0.597 . . . . 31.04 110.915 -169.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -71.73 -34.59 69.68 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.184 -0.607 . . . . 85.45 111.716 -175.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -70.9 -39.88 72.52 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.447 -0.501 . . . . 23.44 111.294 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -68.18 -37.49 81.02 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.149 -0.62 . . . . 41.52 111.116 178.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -56.78 -45.66 81.99 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.553 -0.459 . . . . 23.26 110.81 173.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.63 -45.03 99.52 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.106 0.479 . . . . 29.8 110.377 179.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -62.12 -35.49 78.88 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.243 -0.583 . . . . 30.54 111.491 -177.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -74.37 -46.48 40.26 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 122.156 -0.34 . . . . 46.85 111.399 178.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.437 ' OE2' ' O ' ' B' 1104 ' ' HOH . 73.7 mt-10 -52.4 -46.05 66.11 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.96 0.41 . . . . 34.05 111.204 179.839 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' ARG . . . . . . . . . . . . . 49.0 mtt-85 -92.48 6.84 45.62 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 112.88 0.696 . . . . 38.99 112.88 -174.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 25.9 t 51.35 36.35 16.16 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.434 0.635 . . . . 37.93 111.33 174.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 10.1 tp -69.37 -31.83 50.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 C-N-CA 119.858 -0.737 . . . . 24.37 111.572 -169.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -62.51 -52.57 62.97 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 121.429 -0.795 . . . . 52.75 110.909 179.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -55.61 -48.66 74.54 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.546 -0.462 . . . . 94.07 110.857 177.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -61.77 -40.21 94.34 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.506 -0.478 . . . . 31.48 111.333 -176.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 46.8 mt -73.36 -32.98 64.83 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 119.75 -0.78 . . . . 28.26 111.429 179.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -63.89 -42.22 97.51 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.189 -0.605 . . . . 27.26 110.907 174.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -67.68 -32.69 73.52 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.78 -0.368 . . . . 34.44 111.576 178.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 65.9 tp -70.25 -36.74 74.67 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.356 -0.538 . . . . 32.81 110.997 176.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -62.38 -42.2 99.23 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.263 -0.575 . . . . 39.85 110.979 173.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' ASP . . . . . 0.653 ' OD2' ' O ' ' B' 1103 ' ' HOH . 90.5 m-20 -61.31 -48.54 80.89 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.68 -0.408 . . . . 47.37 110.956 178.359 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 26.2 tp -59.58 -43.13 93.76 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.724 -0.39 . . . . 54.64 111.148 -180.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.35 -46.73 92.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 CA-C-O 121.115 0.483 . . . . 43.87 110.293 179.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -63.45 -37.64 88.08 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.313 -0.555 . . . . 54.88 111.07 179.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -65.9 -37.11 85.24 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.795 -0.362 . . . . 70.71 111.282 179.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.31 -38.51 91.42 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.681 -0.407 . . . . 66.41 111.288 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -84.56 -5.24 59.28 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 113.038 0.755 . . . . 66.64 113.038 -176.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 38.8 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 118.568 0.622 . . . . 66.12 110.643 176.374 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1000 ' ' SO4 . . . . . 0.402 ' O3 ' ' NH2' ' B' ' 16' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . 0.621 ' O ' ' NE ' ' A' ' 89' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . 0.715 ' O ' ' NZ ' ' A' ' 62' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . 0.543 ' O ' ' OD2' ' A' ' 26' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . 0.728 ' O ' ' NZ ' ' A' ' 55' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1101 ' ' HOH . . . . . 0.746 ' O ' ' OE1' ' B' ' 13' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1102 ' ' HOH . . . . . 0.793 ' O ' ' N ' ' B' ' 44' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1103 ' ' HOH . . . . . 0.653 ' O ' ' OD2' ' B' ' 95' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1104 ' ' HOH . . . . . 0.437 ' O ' ' OE2' ' B' ' 83' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1105 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1106 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1107 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1108 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1109 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1110 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1111 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1112 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1113 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1114 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1115 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1116 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1117 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1118 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1119 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1120 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1121 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1122 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1123 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1124 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1125 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1126 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1127 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1128 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1129 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1130 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1131 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1132 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1133 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_