data_6lvn_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6lvn _Structure_validation_residue.Date_analyzed 2020-02-21 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 ' 2' ' ' ILE . . . . . . . . . . . . . 10.6 tp . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.608 -0.516 . . . . 60.52 109.608 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.98 -31.98 73.2 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 120.167 -0.613 . . . . 53.95 111.384 173.74 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.57 -33.44 84.55 Favored Glycine 0 C--N 1.336 0.53 0 C-N-CA 119.909 -1.138 . . . . 40.61 112.618 172.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.1 mt -67.22 -44.89 87.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 CA-C-N 117.419 0.609 . . . . 45.03 110.795 175.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -61.52 -41.8 97.86 Favored 'General case' 0 C--O 1.244 0.778 0 O-C-N 121.839 -0.538 . . . . 42.73 111.398 177.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.02 -38.41 90.83 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 120.215 -0.594 . . . . 36.91 111.141 177.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m -61.91 -39.21 91.22 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.56 -0.456 . . . . 44.26 110.992 176.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.4 t -63.37 -46.45 95.4 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 CA-C-O 121.313 0.577 . . . . 29.47 110.067 179.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.2 t -61.94 -45.95 97.57 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 CA-C-O 121.386 0.612 . . . . 31.93 110.891 -179.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ASN . . . . . 0.567 ' ND2' ' O ' ' A' ' 103' ' ' HOH . 65.4 m-20 -68.83 -40.54 79.38 Favored 'General case' 0 C--O 1.241 0.651 0 C-N-CA 120.204 -0.598 . . . . 45.27 111.654 -175.652 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -65.42 -37.05 79.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 C-N-CA 119.903 -0.719 . . . . 33.84 110.274 178.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -61.6 -41.72 97.85 Favored 'General case' 0 C--O 1.243 0.716 0 C-N-CA 119.382 -0.927 . . . . 48.14 111.219 174.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -58.57 -40.49 83.25 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 119.826 -0.75 . . . . 65.51 111.147 176.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -71.85 -32.2 67.26 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.28 -0.968 . . . . 42.43 111.878 -179.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.16 -43.37 96.21 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 CA-C-O 121.317 0.58 . . . . 31.7 110.344 173.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -60.28 -45.29 93.84 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 119.929 -0.708 . . . . 38.32 111.261 176.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -55.75 -43.52 76.72 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 119.955 -0.698 . . . . 75.77 111.447 176.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.98 -41.33 97.57 Favored 'General case' 0 C--O 1.24 0.603 0 C-N-CA 120.705 -0.398 . . . . 29.21 111.444 -177.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.05 -41.03 95.83 Favored 'General case' 0 C--O 1.243 0.735 0 C-N-CA 119.858 -0.737 . . . . 45.82 111.043 176.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -62.83 -40.5 97.61 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 119.89 -0.724 . . . . 80.5 111.278 178.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.1 t -59.74 -43.6 91.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 C-N-CA 120.488 -0.485 . . . . 30.92 110.372 176.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.58 -44.1 89.7 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 120.472 -0.491 . . . . 32.81 111.146 178.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -62.16 -43.16 99.45 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 119.856 -0.738 . . . . 65.83 111.462 178.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -67.2 -36.42 81.7 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.343 -0.943 . . . . 32.53 111.38 -178.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.4 -34.32 77.7 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.179 -1.008 . . . . 31.16 111.097 176.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -64.45 -38.04 89.65 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 119.608 -0.837 . . . . 49.74 110.842 174.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -65.26 -40.6 94.18 Favored 'General case' 0 C--O 1.242 0.665 0 C-N-CA 119.825 -0.75 . . . . 76.35 111.35 177.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 m -67.27 -30.29 70.14 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 119.499 -0.881 . . . . 35.55 111.802 175.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.1 mt -64.53 -42.86 95.48 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 120.709 -0.396 . . . . 45.91 111.126 173.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.2 mt -63.69 -36.49 76.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 C-N-CA 120.443 -0.503 . . . . 55.83 110.157 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -72.21 -31.56 65.97 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 119.307 -0.957 . . . . 43.73 111.901 177.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.7 mt -73.12 -29.32 62.81 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 119.943 -0.703 . . . . 50.59 111.397 179.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -78.4 -10.14 59.57 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 119.44 -0.904 . . . . 62.58 112.265 -178.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 118.311 0.505 . . . . 99.12 111.974 178.621 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 tt . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 109.228 -0.656 . . . . 51.1 109.228 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 28.3 t -59.84 -57.68 11.86 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.071 -0.513 . . . . 51.97 110.595 165.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.91 -31.95 82.29 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 120.283 -0.961 . . . . 50.56 113.785 175.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 mt -63.96 -43.57 97.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 C-N-CA 119.32 -0.952 . . . . 41.69 109.614 174.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -61.0 -37.19 81.62 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 122.137 -0.352 . . . . 45.42 111.444 175.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.52 -41.45 88.78 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 119.428 -0.909 . . . . 33.74 110.831 -179.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 3.2 m -64.12 -39.58 94.33 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 120.128 -0.629 . . . . 37.79 110.714 175.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 12.9 t -64.08 -46.81 92.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 120.8 0.333 . . . . 42.59 110.669 -178.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 24.0 m -64.32 -41.99 94.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 C-N-CA 119.787 -0.765 . . . . 41.33 110.475 -179.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -65.36 -40.65 93.83 Favored 'General case' 0 C--O 1.243 0.724 0 C-N-CA 118.735 -1.186 . . . . 42.3 111.373 -177.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 87.1 mt -67.32 -37.31 78.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 C-N-CA 119.612 -0.835 . . . . 32.23 110.636 178.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -61.56 -42.21 98.5 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 120.154 -0.619 . . . . 49.55 111.159 176.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -59.53 -39.24 83.25 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 120.906 0.384 . . . . 52.86 110.914 176.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -71.34 -31.92 67.94 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 119.083 -1.047 . . . . 38.79 111.556 179.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 71.5 mt -62.72 -43.73 98.91 Favored 'Isoleucine or valine' 0 C--O 1.241 0.638 0 C-N-CA 120.573 -0.451 . . . . 39.32 110.475 174.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -61.01 -41.49 96.64 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 120.232 -0.587 . . . . 44.1 111.39 176.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -63.07 -39.44 94.74 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 119.784 -0.767 . . . . 74.5 111.571 177.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.09 -41.01 95.38 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 120.214 -0.594 . . . . 34.76 111.23 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -61.39 -40.73 95.43 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 119.575 -0.85 . . . . 45.31 111.065 176.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -59.84 -43.11 94.78 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 120.23 -0.588 . . . . 66.24 111.463 176.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.89 -43.78 92.85 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 C-N-CA 120.577 -0.449 . . . . 35.26 110.502 177.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.81 -44.08 90.73 Favored 'General case' 0 C--O 1.238 0.5 0 C-N-CA 120.399 -0.52 . . . . 30.64 111.39 177.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -61.57 -44.68 96.58 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 120.04 -0.664 . . . . 68.5 111.422 179.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -67.84 -37.36 81.8 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 119.828 -0.749 . . . . 37.17 111.455 -178.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.09 -34.9 79.11 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.708 -0.797 . . . . 29.46 110.947 176.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -65.68 -38.56 89.63 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.394 -0.522 . . . . 57.51 111.369 175.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -66.9 -39.26 87.39 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 118.911 -1.116 . . . . 79.15 111.415 178.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 6.3 m -66.31 -32.24 73.53 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 118.131 -1.428 . . . . 34.8 111.472 174.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 26.5 tp -64.52 -42.92 95.48 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 122.33 -0.231 . . . . 34.34 111.578 175.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.53 -37.17 79.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 C-N-CA 120.191 -0.604 . . . . 35.55 110.243 178.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -69.25 -30.37 68.49 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 119.285 -0.966 . . . . 55.51 111.337 177.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 26.1 mt -74.18 -29.75 61.91 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.791 -0.764 . . . . 46.71 111.338 177.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -79.11 -32.57 44.62 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.475 -0.49 . . . . 50.07 112.161 -176.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -81.6 1.07 35.5 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 112.853 0.686 . . . . 59.76 112.853 175.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 7.5 mp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 118.293 0.497 . . . . 66.6 110.365 178.13 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.226 -0.178 0 N-CA-C 109.821 -0.437 . . . . 90.96 109.821 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.39 -30.04 74.83 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.157 -1.021 . . . . 69.74 112.878 173.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' ILE . . . . . . . . . . . . . 19.8 mt -62.15 -38.97 82.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-N 116.97 0.385 . . . . 52.26 111.366 -178.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -80.33 -31.92 37.96 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.161 -1.016 . . . . 86.77 112.19 -174.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.02 -39.96 79.63 Favored 'General case' 0 C--O 1.244 0.777 0 C-N-CA 119.103 -1.039 . . . . 44.01 110.668 165.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m -63.77 -41.2 98.01 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.26 -0.576 . . . . 44.49 111.689 177.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 3.9 m -65.32 -41.36 91.15 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 C-N-CA 119.486 -0.886 . . . . 42.42 110.238 -179.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 39.2 t -60.28 -45.71 95.91 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 C-N-CA 119.818 -0.753 . . . . 38.19 110.016 178.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -67.59 -40.45 84.8 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 119.576 -0.849 . . . . 48.9 111.693 -176.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 89.3 mt -66.05 -37.24 79.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 O-C-N 121.991 -0.443 . . . . 38.22 110.712 179.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -63.03 -42.84 99.88 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 119.724 -0.79 . . . . 36.52 111.282 175.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -60.07 -39.27 85.48 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 119.879 -0.728 . . . . 55.09 111.121 177.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -72.39 -31.4 65.52 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 119.601 -0.84 . . . . 41.49 112.078 179.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 61.2 mt -61.7 -43.29 96.93 Favored 'Isoleucine or valine' 0 C--O 1.244 0.795 0 C-N-CA 120.202 -0.599 . . . . 36.83 110.253 172.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -60.06 -41.47 92.41 Favored 'General case' 0 C--O 1.244 0.799 0 C-N-CA 120.181 -0.608 . . . . 44.82 111.026 176.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 26.7 ttm-85 -63.97 -38.75 92.24 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 120.147 -0.621 . . . . 40.55 111.494 178.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 23.9 mt -62.75 -40.61 97.78 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 120.193 -0.603 . . . . 47.12 111.079 177.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -60.19 -41.24 92.52 Favored 'General case' 0 C--O 1.243 0.725 0 C-N-CA 119.771 -0.772 . . . . 39.98 110.945 176.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -61.72 -42.55 99.1 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 119.527 -0.869 . . . . 45.62 111.503 176.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 66.0 t -58.98 -46.44 91.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-O 121.188 0.518 . . . . 40.65 110.297 -179.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.2 -43.75 92.25 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 120.774 -0.37 . . . . 41.06 111.403 178.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -61.86 -44.51 96.68 Favored 'General case' 0 C--O 1.244 0.816 0 C-N-CA 120.044 -0.662 . . . . 45.24 111.577 -179.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -67.93 -36.49 80.25 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 120.046 -0.662 . . . . 38.68 111.577 -177.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.81 -33.22 75.34 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 119.287 -0.965 . . . . 47.62 111.228 175.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -64.82 -40.15 94.72 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 119.59 -0.844 . . . . 50.68 111.244 175.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -66.67 -36.53 82.77 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 118.574 -1.25 . . . . 98.86 111.52 177.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 5.2 m -65.67 -32.23 73.68 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 118.515 -1.274 . . . . 48.01 111.759 175.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.13 -41.93 97.01 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 119.99 -0.684 . . . . 52.6 111.079 174.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 29.5 mt -63.26 -35.78 73.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 C-N-CA 119.971 -0.692 . . . . 48.9 110.368 179.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -71.94 -31.86 66.74 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 118.489 -1.284 . . . . 64.69 111.937 176.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 21.3 mt -74.18 -28.64 61.38 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 119.961 -0.696 . . . . 59.34 112.38 -178.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -79.35 -62.94 1.53 Allowed 'General case' 0 C--O 1.236 0.363 0 C-N-CA 119.079 -1.048 . . . . 66.01 112.429 -174.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 . . . . . 0 C--N 1.328 -0.366 0 O-C-N 121.656 -0.652 . . . . 84.76 111.382 -175.375 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 tp . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 109.992 -0.373 . . . . 91.94 109.992 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.86 -35.27 67.17 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.904 -0.718 . . . . 66.17 111.377 173.555 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.29 -33.69 83.21 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 119.877 -1.154 . . . . 49.91 113.025 173.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' ILE . . . . . . . . . . . . . 3.3 mp -67.33 -42.51 87.66 Favored 'Isoleucine or valine' 0 C--O 1.242 0.687 0 CA-C-N 117.521 0.66 . . . . 64.37 110.125 174.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -53.43 -50.84 64.37 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 121.09 0.471 . . . . 62.19 111.567 172.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.43 89.71 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 122.244 -0.285 . . . . 44.96 111.145 -179.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 26.6 m -63.14 -40.38 97.41 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.294 -0.562 . . . . 52.14 111.038 177.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.62 -45.06 98.58 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 C-N-CA 120.079 -0.648 . . . . 38.98 109.979 -179.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' VAL . . . . . . . . . . . . . 52.0 t -62.34 -46.57 96.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 C-N-CA 120.134 -0.626 . . . . 52.3 110.582 -179.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -67.7 -40.12 84.32 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 120.404 -0.518 . . . . 51.16 111.69 -175.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.14 -36.92 78.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 C-N-CA 120.077 -0.649 . . . . 37.0 110.491 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -63.55 -43.76 96.12 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 118.759 -1.177 . . . . 31.8 111.721 175.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -59.54 -38.16 80.31 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 119.887 -0.725 . . . . 74.34 111.25 177.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -71.39 -32.51 68.53 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 118.284 -1.366 . . . . 51.55 112.08 179.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 42.1 mt -61.67 -42.37 94.0 Favored 'Isoleucine or valine' 0 C--O 1.244 0.785 0 C-N-CA 119.671 -0.811 . . . . 33.06 110.129 173.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -58.94 -42.94 90.99 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 120.334 -0.546 . . . . 34.78 110.955 176.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 25.2 ttm-85 -62.78 -38.99 92.82 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.02 -0.672 . . . . 44.04 111.577 178.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 28.6 mt -62.71 -41.32 99.09 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 119.686 -0.806 . . . . 37.18 111.345 177.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -60.15 -40.47 90.0 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 119.297 -0.961 . . . . 46.66 110.858 176.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -59.84 -43.22 94.71 Favored 'General case' 0 C--O 1.243 0.724 0 C-N-CA 120.395 -0.522 . . . . 52.22 111.432 176.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.47 -45.71 96.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 CA-C-O 121.226 0.536 . . . . 39.05 110.652 178.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.71 -45.82 90.98 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 120.435 -0.506 . . . . 35.37 111.593 -179.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 2.6 ttpp -63.35 -42.74 98.93 Favored 'General case' 0 C--O 1.25 1.13 0 C-N-CA 120.333 -0.547 . . . . 39.39 111.665 -179.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -66.12 -35.57 80.86 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 119.664 -0.815 . . . . 36.7 111.121 179.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 80.8 mt -66.23 -32.56 74.06 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 119.266 -0.974 . . . . 33.84 111.631 174.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -64.32 -49.41 71.85 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 119.129 -1.028 . . . . 54.72 112.298 177.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -75.24 -12.08 60.21 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 114.213 -2.995 . . . . 81.73 113.526 175.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -67.06 -33.56 75.77 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 117.173 -1.811 . . . . 57.97 110.439 166.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mp -63.76 -42.21 97.85 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 120.901 0.382 . . . . 51.41 110.869 173.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 6.7 mt -62.62 -37.44 78.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 C-N-CA 118.327 -1.349 . . . . 52.86 110.535 178.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -69.86 -31.1 68.76 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.184 -1.007 . . . . 65.66 112.021 178.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 mt -74.55 -31.8 62.22 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 112.962 0.727 . . . . 52.77 112.962 179.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 34' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -82.33 -43.5 17.37 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 118.513 -1.275 . . . . 60.71 112.675 -173.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 35' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 . . . . . 0 C--N 1.326 -0.429 0 C-N-CA 120.031 -0.668 . . . . 87.58 111.645 -177.831 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . 0.567 ' O ' ' ND2' ' A' ' 11' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.6 tp . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.608 -0.516 . . . . 60.52 109.608 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.98 -31.98 73.2 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 120.167 -0.613 . . . . 53.95 111.384 173.74 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.57 -33.44 84.55 Favored Glycine 0 C--N 1.336 0.53 0 C-N-CA 119.909 -1.138 . . . . 40.61 112.618 172.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.1 mt -67.22 -44.89 87.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 CA-C-N 117.419 0.609 . . . . 45.03 110.795 175.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -61.52 -41.8 97.86 Favored 'General case' 0 C--O 1.244 0.778 0 O-C-N 121.839 -0.538 . . . . 42.73 111.398 177.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.02 -38.41 90.83 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 120.215 -0.594 . . . . 36.91 111.141 177.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m -61.91 -39.21 91.22 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.56 -0.456 . . . . 44.26 110.992 176.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.4 t -63.37 -46.45 95.4 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 CA-C-O 121.313 0.577 . . . . 29.47 110.067 179.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.2 t -61.94 -45.95 97.57 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 CA-C-O 121.386 0.612 . . . . 31.93 110.891 -179.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -68.83 -40.54 79.38 Favored 'General case' 0 C--O 1.241 0.651 0 C-N-CA 120.204 -0.598 . . . . 45.27 111.654 -175.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -65.42 -37.05 79.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 C-N-CA 119.903 -0.719 . . . . 33.84 110.274 178.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -61.6 -41.72 97.85 Favored 'General case' 0 C--O 1.243 0.716 0 C-N-CA 119.382 -0.927 . . . . 48.14 111.219 174.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -58.57 -40.49 83.25 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 119.826 -0.75 . . . . 65.51 111.147 176.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -71.85 -32.2 67.26 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.28 -0.968 . . . . 42.43 111.878 -179.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.16 -43.37 96.21 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 CA-C-O 121.317 0.58 . . . . 31.7 110.344 173.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -60.28 -45.29 93.84 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 119.929 -0.708 . . . . 38.32 111.261 176.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -55.75 -43.52 76.72 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 119.955 -0.698 . . . . 75.77 111.447 176.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.98 -41.33 97.57 Favored 'General case' 0 C--O 1.24 0.603 0 C-N-CA 120.705 -0.398 . . . . 29.21 111.444 -177.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.05 -41.03 95.83 Favored 'General case' 0 C--O 1.243 0.735 0 C-N-CA 119.858 -0.737 . . . . 45.82 111.043 176.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -62.83 -40.5 97.61 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 119.89 -0.724 . . . . 80.5 111.278 178.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.1 t -59.74 -43.6 91.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 C-N-CA 120.488 -0.485 . . . . 30.92 110.372 176.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.58 -44.1 89.7 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 120.472 -0.491 . . . . 32.81 111.146 178.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -62.16 -43.16 99.45 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 119.856 -0.738 . . . . 65.83 111.462 178.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -67.2 -36.42 81.7 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.343 -0.943 . . . . 32.53 111.38 -178.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.4 -34.32 77.7 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.179 -1.008 . . . . 31.16 111.097 176.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -64.45 -38.04 89.65 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 119.608 -0.837 . . . . 49.74 110.842 174.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -65.26 -40.6 94.18 Favored 'General case' 0 C--O 1.242 0.665 0 C-N-CA 119.825 -0.75 . . . . 76.35 111.35 177.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 m -67.27 -30.29 70.14 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 119.499 -0.881 . . . . 35.55 111.802 175.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.1 mt -64.53 -42.86 95.48 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 120.709 -0.396 . . . . 45.91 111.126 173.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.2 mt -63.69 -36.49 76.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 C-N-CA 120.443 -0.503 . . . . 55.83 110.157 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -72.21 -31.56 65.97 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 119.307 -0.957 . . . . 43.73 111.901 177.25 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.7 mt -73.12 -29.32 62.81 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 119.943 -0.703 . . . . 50.59 111.397 179.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -78.4 -10.14 59.57 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 119.44 -0.904 . . . . 62.58 112.265 -178.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 118.311 0.505 . . . . 99.12 111.974 178.621 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ILE . . . . . 0.504 HG23 ' H ' ' B' ' 3' ' ' SER . 2.5 tt . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 109.228 -0.656 . . . . 51.1 109.228 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' SER . . . . . 0.504 ' H ' HG23 ' B' ' 2' ' ' ILE . 28.3 t -59.84 -57.68 11.86 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.071 -0.513 . . . . 51.97 110.595 165.447 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.91 -31.95 82.29 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 120.283 -0.961 . . . . 50.56 113.785 175.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 mt -63.96 -43.57 97.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 C-N-CA 119.32 -0.952 . . . . 41.69 109.614 174.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -61.0 -37.19 81.62 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 122.137 -0.352 . . . . 45.42 111.444 175.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.52 -41.45 88.78 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 119.428 -0.909 . . . . 33.74 110.831 -179.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 3.2 m -64.12 -39.58 94.33 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 120.128 -0.629 . . . . 37.79 110.714 175.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 12.9 t -64.08 -46.81 92.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 120.8 0.333 . . . . 42.59 110.669 -178.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 24.0 m -64.32 -41.99 94.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 C-N-CA 119.787 -0.765 . . . . 41.33 110.475 -179.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -65.36 -40.65 93.83 Favored 'General case' 0 C--O 1.243 0.724 0 C-N-CA 118.735 -1.186 . . . . 42.3 111.373 -177.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 87.1 mt -67.32 -37.31 78.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 C-N-CA 119.612 -0.835 . . . . 32.23 110.636 178.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -61.56 -42.21 98.5 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 120.154 -0.619 . . . . 49.55 111.159 176.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -59.53 -39.24 83.25 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 120.906 0.384 . . . . 52.86 110.914 176.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -71.34 -31.92 67.94 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 119.083 -1.047 . . . . 38.79 111.556 179.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 71.5 mt -62.72 -43.73 98.91 Favored 'Isoleucine or valine' 0 C--O 1.241 0.638 0 C-N-CA 120.573 -0.451 . . . . 39.32 110.475 174.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -61.01 -41.49 96.64 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 120.232 -0.587 . . . . 44.1 111.39 176.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -63.07 -39.44 94.74 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 119.784 -0.767 . . . . 74.5 111.571 177.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.09 -41.01 95.38 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 120.214 -0.594 . . . . 34.76 111.23 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -61.39 -40.73 95.43 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 119.575 -0.85 . . . . 45.31 111.065 176.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -59.84 -43.11 94.78 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 120.23 -0.588 . . . . 66.24 111.463 176.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.89 -43.78 92.85 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 C-N-CA 120.577 -0.449 . . . . 35.26 110.502 177.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.81 -44.08 90.73 Favored 'General case' 0 C--O 1.238 0.5 0 C-N-CA 120.399 -0.52 . . . . 30.64 111.39 177.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -61.57 -44.68 96.58 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 120.04 -0.664 . . . . 68.5 111.422 179.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -67.84 -37.36 81.8 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 119.828 -0.749 . . . . 37.17 111.455 -178.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.09 -34.9 79.11 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.708 -0.797 . . . . 29.46 110.947 176.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -65.68 -38.56 89.63 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.394 -0.522 . . . . 57.51 111.369 175.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -66.9 -39.26 87.39 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 118.911 -1.116 . . . . 79.15 111.415 178.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 6.3 m -66.31 -32.24 73.53 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 118.131 -1.428 . . . . 34.8 111.472 174.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 26.5 tp -64.52 -42.92 95.48 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 122.33 -0.231 . . . . 34.34 111.578 175.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.53 -37.17 79.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 C-N-CA 120.191 -0.604 . . . . 35.55 110.243 178.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -69.25 -30.37 68.49 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 119.285 -0.966 . . . . 55.51 111.337 177.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 26.1 mt -74.18 -29.75 61.91 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.791 -0.764 . . . . 46.71 111.338 177.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -79.11 -32.57 44.62 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.475 -0.49 . . . . 50.07 112.161 -176.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -81.6 1.07 35.5 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 112.853 0.686 . . . . 59.76 112.853 175.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 7.5 mp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 118.293 0.497 . . . . 66.6 110.365 178.13 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.226 -0.178 0 N-CA-C 109.821 -0.437 . . . . 90.96 109.821 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.39 -30.04 74.83 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.157 -1.021 . . . . 69.74 112.878 173.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' ILE . . . . . 0.581 ' O ' HG13 ' C' ' 9' ' ' VAL . 19.8 mt -62.15 -38.97 82.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-N 116.97 0.385 . . . . 52.26 111.366 -178.865 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 6' ' ' ASN . . . . . 0.492 ' O ' HG22 ' C' ' 9' ' ' VAL . 1.7 m120 -80.33 -31.92 37.96 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.161 -1.016 . . . . 86.77 112.19 -174.729 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.02 -39.96 79.63 Favored 'General case' 0 C--O 1.244 0.777 0 C-N-CA 119.103 -1.039 . . . . 44.01 110.668 165.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m -63.77 -41.2 98.01 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.26 -0.576 . . . . 44.49 111.689 177.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' VAL . . . . . 0.581 HG13 ' O ' ' C' ' 5' ' ' ILE . 3.9 m -65.32 -41.36 91.15 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 C-N-CA 119.486 -0.886 . . . . 42.42 110.238 -179.319 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 39.2 t -60.28 -45.71 95.91 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 C-N-CA 119.818 -0.753 . . . . 38.19 110.016 178.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -67.59 -40.45 84.8 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 119.576 -0.849 . . . . 48.9 111.693 -176.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 89.3 mt -66.05 -37.24 79.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 O-C-N 121.991 -0.443 . . . . 38.22 110.712 179.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -63.03 -42.84 99.88 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 119.724 -0.79 . . . . 36.52 111.282 175.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' LYS . . . . . 0.438 ' HE3' ' HB3' ' C' ' 14' ' ' LYS . 14.8 ttpp -60.07 -39.27 85.48 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 119.879 -0.728 . . . . 55.09 111.121 177.302 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -72.39 -31.4 65.52 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 119.601 -0.84 . . . . 41.49 112.078 179.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 61.2 mt -61.7 -43.29 96.93 Favored 'Isoleucine or valine' 0 C--O 1.244 0.795 0 C-N-CA 120.202 -0.599 . . . . 36.83 110.253 172.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -60.06 -41.47 92.41 Favored 'General case' 0 C--O 1.244 0.799 0 C-N-CA 120.181 -0.608 . . . . 44.82 111.026 176.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 26.7 ttm-85 -63.97 -38.75 92.24 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 120.147 -0.621 . . . . 40.55 111.494 178.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 23.9 mt -62.75 -40.61 97.78 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 120.193 -0.603 . . . . 47.12 111.079 177.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -60.19 -41.24 92.52 Favored 'General case' 0 C--O 1.243 0.725 0 C-N-CA 119.771 -0.772 . . . . 39.98 110.945 176.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -61.72 -42.55 99.1 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 119.527 -0.869 . . . . 45.62 111.503 176.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 66.0 t -58.98 -46.44 91.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-O 121.188 0.518 . . . . 40.65 110.297 -179.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.2 -43.75 92.25 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 120.774 -0.37 . . . . 41.06 111.403 178.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' LYS . . . . . 0.512 ' O ' ' HG3' ' C' ' 28' ' ' GLU . 29.2 ttpp -61.86 -44.51 96.68 Favored 'General case' 0 C--O 1.244 0.816 0 C-N-CA 120.044 -0.662 . . . . 45.24 111.577 -179.678 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -67.93 -36.49 80.25 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 120.046 -0.662 . . . . 38.68 111.577 -177.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.81 -33.22 75.34 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 119.287 -0.965 . . . . 47.62 111.228 175.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -64.82 -40.15 94.72 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 119.59 -0.844 . . . . 50.68 111.244 175.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 28' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' C' ' 24' ' ' LYS . 5.1 mt-10 -66.67 -36.53 82.77 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 118.574 -1.25 . . . . 98.86 111.52 177.633 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 5.2 m -65.67 -32.23 73.68 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 118.515 -1.274 . . . . 48.01 111.759 175.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.13 -41.93 97.01 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 119.99 -0.684 . . . . 52.6 111.079 174.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 29.5 mt -63.26 -35.78 73.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 C-N-CA 119.971 -0.692 . . . . 48.9 110.368 179.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -71.94 -31.86 66.74 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 118.489 -1.284 . . . . 64.69 111.937 176.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 21.3 mt -74.18 -28.64 61.38 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 119.961 -0.696 . . . . 59.34 112.38 -178.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -79.35 -62.94 1.53 Allowed 'General case' 0 C--O 1.236 0.363 0 C-N-CA 119.079 -1.048 . . . . 66.01 112.429 -174.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 . . . . . 0 C--N 1.328 -0.366 0 O-C-N 121.656 -0.652 . . . . 84.76 111.382 -175.375 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 tp . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 109.992 -0.373 . . . . 91.94 109.992 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.86 -35.27 67.17 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.904 -0.718 . . . . 66.17 111.377 173.555 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.29 -33.69 83.21 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 119.877 -1.154 . . . . 49.91 113.025 173.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' ILE . . . . . . . . . . . . . 3.3 mp -67.33 -42.51 87.66 Favored 'Isoleucine or valine' 0 C--O 1.242 0.687 0 CA-C-N 117.521 0.66 . . . . 64.37 110.125 174.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -53.43 -50.84 64.37 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 121.09 0.471 . . . . 62.19 111.567 172.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.43 89.71 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 122.244 -0.285 . . . . 44.96 111.145 -179.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 26.6 m -63.14 -40.38 97.41 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.294 -0.562 . . . . 52.14 111.038 177.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.62 -45.06 98.58 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 C-N-CA 120.079 -0.648 . . . . 38.98 109.979 -179.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 10' ' ' VAL . . . . . . . . . . . . . 52.0 t -62.34 -46.57 96.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 C-N-CA 120.134 -0.626 . . . . 52.3 110.582 -179.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -67.7 -40.12 84.32 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 120.404 -0.518 . . . . 51.16 111.69 -175.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.14 -36.92 78.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 C-N-CA 120.077 -0.649 . . . . 37.0 110.491 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -63.55 -43.76 96.12 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 118.759 -1.177 . . . . 31.8 111.721 175.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 14' ' ' LYS . . . . . 0.432 ' HD3' ' NH2' ' D' ' 18' ' ' ARG . 30.4 ttmt -59.54 -38.16 80.31 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 119.887 -0.725 . . . . 74.34 111.25 177.719 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -71.39 -32.51 68.53 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 118.284 -1.366 . . . . 51.55 112.08 179.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 42.1 mt -61.67 -42.37 94.0 Favored 'Isoleucine or valine' 0 C--O 1.244 0.785 0 C-N-CA 119.671 -0.811 . . . . 33.06 110.129 173.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -58.94 -42.94 90.99 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 120.334 -0.546 . . . . 34.78 110.955 176.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 18' ' ' ARG . . . . . 0.432 ' NH2' ' HD3' ' D' ' 14' ' ' LYS . 25.2 ttm-85 -62.78 -38.99 92.82 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.02 -0.672 . . . . 44.04 111.577 178.737 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 28.6 mt -62.71 -41.32 99.09 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 119.686 -0.806 . . . . 37.18 111.345 177.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -60.15 -40.47 90.0 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 119.297 -0.961 . . . . 46.66 110.858 176.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -59.84 -43.22 94.71 Favored 'General case' 0 C--O 1.243 0.724 0 C-N-CA 120.395 -0.522 . . . . 52.22 111.432 176.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 22' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.47 -45.71 96.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 CA-C-O 121.226 0.536 . . . . 39.05 110.652 178.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.71 -45.82 90.98 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 120.435 -0.506 . . . . 35.37 111.593 -179.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 2.6 ttpp -63.35 -42.74 98.93 Favored 'General case' 0 C--O 1.25 1.13 0 C-N-CA 120.333 -0.547 . . . . 39.39 111.665 -179.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -66.12 -35.57 80.86 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 119.664 -0.815 . . . . 36.7 111.121 179.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 26' ' ' LEU . . . . . 0.547 ' O ' HD13 ' D' ' 30' ' ' LEU . 80.8 mt -66.23 -32.56 74.06 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 119.266 -0.974 . . . . 33.84 111.631 174.645 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -64.32 -49.41 71.85 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 119.129 -1.028 . . . . 54.72 112.298 177.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 28' ' ' GLU . . . . . 0.545 ' HA ' HG13 ' D' ' 31' ' ' ILE . 3.6 pt-20 -75.24 -12.08 60.21 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 114.213 -2.995 . . . . 81.73 113.526 175.404 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -67.06 -33.56 75.77 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 117.173 -1.811 . . . . 57.97 110.439 166.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 30' ' ' LEU . . . . . 0.547 HD13 ' O ' ' D' ' 26' ' ' LEU . 2.2 mp -63.76 -42.21 97.85 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 120.901 0.382 . . . . 51.41 110.869 173.592 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 31' ' ' ILE . . . . . 0.545 HG13 ' HA ' ' D' ' 28' ' ' GLU . 6.7 mt -62.62 -37.44 78.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 C-N-CA 118.327 -1.349 . . . . 52.86 110.535 178.103 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -69.86 -31.1 68.76 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.184 -1.007 . . . . 65.66 112.021 178.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 mt -74.55 -31.8 62.22 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 112.962 0.727 . . . . 52.77 112.962 179.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 34' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -82.33 -43.5 17.37 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 118.513 -1.275 . . . . 60.71 112.675 -173.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 35' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 . . . . . 0 C--N 1.326 -0.429 0 C-N-CA 120.031 -0.668 . . . . 87.58 111.645 -177.831 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.6 tp . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.608 -0.516 . . . . 60.52 109.608 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.98 -31.98 73.2 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 120.167 -0.613 . . . . 53.95 111.384 173.74 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.57 -33.44 84.55 Favored Glycine 0 C--N 1.336 0.53 0 C-N-CA 119.909 -1.138 . . . . 40.61 112.618 172.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.1 mt -67.22 -44.89 87.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 CA-C-N 117.419 0.609 . . . . 45.03 110.795 175.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -61.52 -41.8 97.86 Favored 'General case' 0 C--O 1.244 0.778 0 O-C-N 121.839 -0.538 . . . . 42.73 111.398 177.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.02 -38.41 90.83 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 120.215 -0.594 . . . . 36.91 111.141 177.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m -61.91 -39.21 91.22 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.56 -0.456 . . . . 44.26 110.992 176.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.4 t -63.37 -46.45 95.4 Favored 'Isoleucine or valine' 0 C--O 1.243 0.72 0 CA-C-O 121.313 0.577 . . . . 29.47 110.067 179.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.2 t -61.94 -45.95 97.57 Favored 'Isoleucine or valine' 0 C--O 1.242 0.699 0 CA-C-O 121.386 0.612 . . . . 31.93 110.891 -179.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -68.83 -40.54 79.38 Favored 'General case' 0 C--O 1.241 0.651 0 C-N-CA 120.204 -0.598 . . . . 45.27 111.654 -175.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -65.42 -37.05 79.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 C-N-CA 119.903 -0.719 . . . . 33.84 110.274 178.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -61.6 -41.72 97.85 Favored 'General case' 0 C--O 1.243 0.716 0 C-N-CA 119.382 -0.927 . . . . 48.14 111.219 174.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -58.57 -40.49 83.25 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 119.826 -0.75 . . . . 65.51 111.147 176.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -71.85 -32.2 67.26 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.28 -0.968 . . . . 42.43 111.878 -179.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.16 -43.37 96.21 Favored 'Isoleucine or valine' 0 C--O 1.244 0.78 0 CA-C-O 121.317 0.58 . . . . 31.7 110.344 173.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -60.28 -45.29 93.84 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 119.929 -0.708 . . . . 38.32 111.261 176.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -55.75 -43.52 76.72 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 119.955 -0.698 . . . . 75.77 111.447 176.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.0 mt -63.98 -41.33 97.57 Favored 'General case' 0 C--O 1.24 0.603 0 C-N-CA 120.705 -0.398 . . . . 29.21 111.444 -177.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.05 -41.03 95.83 Favored 'General case' 0 C--O 1.243 0.735 0 C-N-CA 119.858 -0.737 . . . . 45.82 111.043 176.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -62.83 -40.5 97.61 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 119.89 -0.724 . . . . 80.5 111.278 178.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.1 t -59.74 -43.6 91.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.533 0 C-N-CA 120.488 -0.485 . . . . 30.92 110.372 176.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.58 -44.1 89.7 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 120.472 -0.491 . . . . 32.81 111.146 178.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -62.16 -43.16 99.45 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 119.856 -0.738 . . . . 65.83 111.462 178.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -67.2 -36.42 81.7 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.343 -0.943 . . . . 32.53 111.38 -178.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.4 -34.32 77.7 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.179 -1.008 . . . . 31.16 111.097 176.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -64.45 -38.04 89.65 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 119.608 -0.837 . . . . 49.74 110.842 174.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -65.26 -40.6 94.18 Favored 'General case' 0 C--O 1.242 0.665 0 C-N-CA 119.825 -0.75 . . . . 76.35 111.35 177.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 m -67.27 -30.29 70.14 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 119.499 -0.881 . . . . 35.55 111.802 175.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.1 mt -64.53 -42.86 95.48 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 120.709 -0.396 . . . . 45.91 111.126 173.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.2 mt -63.69 -36.49 76.68 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 C-N-CA 120.443 -0.503 . . . . 55.83 110.157 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -72.21 -31.56 65.97 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 119.307 -0.957 . . . . 43.73 111.901 177.25 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 18.7 mt -73.12 -29.32 62.81 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 119.943 -0.703 . . . . 50.59 111.397 179.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -78.4 -10.14 59.57 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 119.44 -0.904 . . . . 62.58 112.265 -178.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 118.311 0.505 . . . . 99.12 111.974 178.621 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ILE . . . . . 0.504 HG23 ' H ' ' B' ' 3' ' ' SER . 2.5 tt . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 109.228 -0.656 . . . . 51.1 109.228 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' SER . . . . . 0.504 ' H ' HG23 ' B' ' 2' ' ' ILE . 28.3 t -59.84 -57.68 11.86 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.071 -0.513 . . . . 51.97 110.595 165.447 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.91 -31.95 82.29 Favored Glycine 0 C--N 1.336 0.538 0 C-N-CA 120.283 -0.961 . . . . 50.56 113.785 175.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 mt -63.96 -43.57 97.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 C-N-CA 119.32 -0.952 . . . . 41.69 109.614 174.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -61.0 -37.19 81.62 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 122.137 -0.352 . . . . 45.42 111.444 175.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.52 -41.45 88.78 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 119.428 -0.909 . . . . 33.74 110.831 -179.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 3.2 m -64.12 -39.58 94.33 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 120.128 -0.629 . . . . 37.79 110.714 175.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 12.9 t -64.08 -46.81 92.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 120.8 0.333 . . . . 42.59 110.669 -178.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 24.0 m -64.32 -41.99 94.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 C-N-CA 119.787 -0.765 . . . . 41.33 110.475 -179.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -65.36 -40.65 93.83 Favored 'General case' 0 C--O 1.243 0.724 0 C-N-CA 118.735 -1.186 . . . . 42.3 111.373 -177.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 87.1 mt -67.32 -37.31 78.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 C-N-CA 119.612 -0.835 . . . . 32.23 110.636 178.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -61.56 -42.21 98.5 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 120.154 -0.619 . . . . 49.55 111.159 176.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -59.53 -39.24 83.25 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 120.906 0.384 . . . . 52.86 110.914 176.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -71.34 -31.92 67.94 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 119.083 -1.047 . . . . 38.79 111.556 179.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 71.5 mt -62.72 -43.73 98.91 Favored 'Isoleucine or valine' 0 C--O 1.241 0.638 0 C-N-CA 120.573 -0.451 . . . . 39.32 110.475 174.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -61.01 -41.49 96.64 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 120.232 -0.587 . . . . 44.1 111.39 176.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -63.07 -39.44 94.74 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 119.784 -0.767 . . . . 74.5 111.571 177.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.09 -41.01 95.38 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 120.214 -0.594 . . . . 34.76 111.23 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -61.39 -40.73 95.43 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 119.575 -0.85 . . . . 45.31 111.065 176.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -59.84 -43.11 94.78 Favored 'General case' 0 C--O 1.242 0.696 0 C-N-CA 120.23 -0.588 . . . . 66.24 111.463 176.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.89 -43.78 92.85 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 C-N-CA 120.577 -0.449 . . . . 35.26 110.502 177.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.81 -44.08 90.73 Favored 'General case' 0 C--O 1.238 0.5 0 C-N-CA 120.399 -0.52 . . . . 30.64 111.39 177.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -61.57 -44.68 96.58 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 120.04 -0.664 . . . . 68.5 111.422 179.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -67.84 -37.36 81.8 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 119.828 -0.749 . . . . 37.17 111.455 -178.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.09 -34.9 79.11 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.708 -0.797 . . . . 29.46 110.947 176.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -65.68 -38.56 89.63 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.394 -0.522 . . . . 57.51 111.369 175.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -66.9 -39.26 87.39 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 118.911 -1.116 . . . . 79.15 111.415 178.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 6.3 m -66.31 -32.24 73.53 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 118.131 -1.428 . . . . 34.8 111.472 174.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 26.5 tp -64.52 -42.92 95.48 Favored 'General case' 0 C--O 1.24 0.585 0 O-C-N 122.33 -0.231 . . . . 34.34 111.578 175.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 68.9 mt -64.53 -37.17 79.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 C-N-CA 120.191 -0.604 . . . . 35.55 110.243 178.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -69.25 -30.37 68.49 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 119.285 -0.966 . . . . 55.51 111.337 177.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 26.1 mt -74.18 -29.75 61.91 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.791 -0.764 . . . . 46.71 111.338 177.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -79.11 -32.57 44.62 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.475 -0.49 . . . . 50.07 112.161 -176.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -81.6 1.07 35.5 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 112.853 0.686 . . . . 59.76 112.853 175.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 7.5 mp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 118.293 0.497 . . . . 66.6 110.365 178.13 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.226 -0.178 0 N-CA-C 109.821 -0.437 . . . . 90.96 109.821 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.39 -30.04 74.83 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.157 -1.021 . . . . 69.74 112.878 173.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' ILE . . . . . 0.581 ' O ' HG13 ' C' ' 9' ' ' VAL . 19.8 mt -62.15 -38.97 82.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 CA-C-N 116.97 0.385 . . . . 52.26 111.366 -178.865 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' ASN . . . . . 0.492 ' O ' HG22 ' C' ' 9' ' ' VAL . 1.7 m120 -80.33 -31.92 37.96 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.161 -1.016 . . . . 86.77 112.19 -174.729 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.02 -39.96 79.63 Favored 'General case' 0 C--O 1.244 0.777 0 C-N-CA 119.103 -1.039 . . . . 44.01 110.668 165.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m -63.77 -41.2 98.01 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.26 -0.576 . . . . 44.49 111.689 177.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.581 HG13 ' O ' ' C' ' 5' ' ' ILE . 3.9 m -65.32 -41.36 91.15 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 C-N-CA 119.486 -0.886 . . . . 42.42 110.238 -179.319 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 39.2 t -60.28 -45.71 95.91 Favored 'Isoleucine or valine' 0 C--O 1.242 0.705 0 C-N-CA 119.818 -0.753 . . . . 38.19 110.016 178.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -67.59 -40.45 84.8 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 119.576 -0.849 . . . . 48.9 111.693 -176.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 89.3 mt -66.05 -37.24 79.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 O-C-N 121.991 -0.443 . . . . 38.22 110.712 179.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -63.03 -42.84 99.88 Favored 'General case' 0 C--O 1.243 0.714 0 C-N-CA 119.724 -0.79 . . . . 36.52 111.282 175.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' LYS . . . . . 0.438 ' HE3' ' HB3' ' C' ' 14' ' ' LYS . 14.8 ttpp -60.07 -39.27 85.48 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 119.879 -0.728 . . . . 55.09 111.121 177.302 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -72.39 -31.4 65.52 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 119.601 -0.84 . . . . 41.49 112.078 179.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 61.2 mt -61.7 -43.29 96.93 Favored 'Isoleucine or valine' 0 C--O 1.244 0.795 0 C-N-CA 120.202 -0.599 . . . . 36.83 110.253 172.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -60.06 -41.47 92.41 Favored 'General case' 0 C--O 1.244 0.799 0 C-N-CA 120.181 -0.608 . . . . 44.82 111.026 176.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 26.7 ttm-85 -63.97 -38.75 92.24 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 120.147 -0.621 . . . . 40.55 111.494 178.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 23.9 mt -62.75 -40.61 97.78 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 120.193 -0.603 . . . . 47.12 111.079 177.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -60.19 -41.24 92.52 Favored 'General case' 0 C--O 1.243 0.725 0 C-N-CA 119.771 -0.772 . . . . 39.98 110.945 176.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -61.72 -42.55 99.1 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 119.527 -0.869 . . . . 45.62 111.503 176.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 66.0 t -58.98 -46.44 91.59 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-O 121.188 0.518 . . . . 40.65 110.297 -179.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.2 -43.75 92.25 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 120.774 -0.37 . . . . 41.06 111.403 178.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' LYS . . . . . 0.512 ' O ' ' HG3' ' C' ' 28' ' ' GLU . 29.2 ttpp -61.86 -44.51 96.68 Favored 'General case' 0 C--O 1.244 0.816 0 C-N-CA 120.044 -0.662 . . . . 45.24 111.577 -179.678 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -67.93 -36.49 80.25 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 120.046 -0.662 . . . . 38.68 111.577 -177.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.81 -33.22 75.34 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 119.287 -0.965 . . . . 47.62 111.228 175.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -64.82 -40.15 94.72 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 119.59 -0.844 . . . . 50.68 111.244 175.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' C' ' 24' ' ' LYS . 5.1 mt-10 -66.67 -36.53 82.77 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 118.574 -1.25 . . . . 98.86 111.52 177.633 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 5.2 m -65.67 -32.23 73.68 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 118.515 -1.274 . . . . 48.01 111.759 175.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 5.9 mt -64.13 -41.93 97.01 Favored 'General case' 0 C--O 1.242 0.689 0 C-N-CA 119.99 -0.684 . . . . 52.6 111.079 174.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 29.5 mt -63.26 -35.78 73.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 C-N-CA 119.971 -0.692 . . . . 48.9 110.368 179.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -71.94 -31.86 66.74 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 118.489 -1.284 . . . . 64.69 111.937 176.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 21.3 mt -74.18 -28.64 61.38 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 119.961 -0.696 . . . . 59.34 112.38 -178.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -79.35 -62.94 1.53 Allowed 'General case' 0 C--O 1.236 0.363 0 C-N-CA 119.079 -1.048 . . . . 66.01 112.429 -174.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 . . . . . 0 C--N 1.328 -0.366 0 O-C-N 121.656 -0.652 . . . . 84.76 111.382 -175.375 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 tp . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 109.992 -0.373 . . . . 91.94 109.992 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.86 -35.27 67.17 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.904 -0.718 . . . . 66.17 111.377 173.555 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.29 -33.69 83.21 Favored Glycine 0 C--N 1.334 0.469 0 C-N-CA 119.877 -1.154 . . . . 49.91 113.025 173.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' ILE . . . . . . . . . . . . . 3.3 mp -67.33 -42.51 87.66 Favored 'Isoleucine or valine' 0 C--O 1.242 0.687 0 CA-C-N 117.521 0.66 . . . . 64.37 110.125 174.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -53.43 -50.84 64.37 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 121.09 0.471 . . . . 62.19 111.567 172.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.43 89.71 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 122.244 -0.285 . . . . 44.96 111.145 -179.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 26.6 m -63.14 -40.38 97.41 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.294 -0.562 . . . . 52.14 111.038 177.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 48.5 t -63.62 -45.06 98.58 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 C-N-CA 120.079 -0.648 . . . . 38.98 109.979 -179.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' VAL . . . . . . . . . . . . . 52.0 t -62.34 -46.57 96.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 C-N-CA 120.134 -0.626 . . . . 52.3 110.582 -179.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -67.7 -40.12 84.32 Favored 'General case' 0 C--O 1.242 0.679 0 C-N-CA 120.404 -0.518 . . . . 51.16 111.69 -175.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.14 -36.92 78.59 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 C-N-CA 120.077 -0.649 . . . . 37.0 110.491 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -63.55 -43.76 96.12 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 118.759 -1.177 . . . . 31.8 111.721 175.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' LYS . . . . . 0.432 ' HD3' ' NH2' ' D' ' 18' ' ' ARG . 30.4 ttmt -59.54 -38.16 80.31 Favored 'General case' 0 C--O 1.243 0.743 0 C-N-CA 119.887 -0.725 . . . . 74.34 111.25 177.719 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -71.39 -32.51 68.53 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 118.284 -1.366 . . . . 51.55 112.08 179.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 42.1 mt -61.67 -42.37 94.0 Favored 'Isoleucine or valine' 0 C--O 1.244 0.785 0 C-N-CA 119.671 -0.811 . . . . 33.06 110.129 173.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -58.94 -42.94 90.99 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 120.334 -0.546 . . . . 34.78 110.955 176.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' ARG . . . . . 0.432 ' NH2' ' HD3' ' D' ' 14' ' ' LYS . 25.2 ttm-85 -62.78 -38.99 92.82 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.02 -0.672 . . . . 44.04 111.577 178.737 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 28.6 mt -62.71 -41.32 99.09 Favored 'General case' 0 C--O 1.241 0.611 0 C-N-CA 119.686 -0.806 . . . . 37.18 111.345 177.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -60.15 -40.47 90.0 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 119.297 -0.961 . . . . 46.66 110.858 176.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -59.84 -43.22 94.71 Favored 'General case' 0 C--O 1.243 0.724 0 C-N-CA 120.395 -0.522 . . . . 52.22 111.432 176.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.47 -45.71 96.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 CA-C-O 121.226 0.536 . . . . 39.05 110.652 178.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.71 -45.82 90.98 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 120.435 -0.506 . . . . 35.37 111.593 -179.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' LYS . . . . . . . . . . . . . 2.6 ttpp -63.35 -42.74 98.93 Favored 'General case' 0 C--O 1.25 1.13 0 C-N-CA 120.333 -0.547 . . . . 39.39 111.665 -179.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -66.12 -35.57 80.86 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 119.664 -0.815 . . . . 36.7 111.121 179.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.547 ' O ' HD13 ' D' ' 30' ' ' LEU . 80.8 mt -66.23 -32.56 74.06 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 119.266 -0.974 . . . . 33.84 111.631 174.645 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -64.32 -49.41 71.85 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 119.129 -1.028 . . . . 54.72 112.298 177.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 28' ' ' GLU . . . . . 0.545 ' HA ' HG13 ' D' ' 31' ' ' ILE . 3.6 pt-20 -75.24 -12.08 60.21 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 114.213 -2.995 . . . . 81.73 113.526 175.404 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -67.06 -33.56 75.77 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 117.173 -1.811 . . . . 57.97 110.439 166.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 30' ' ' LEU . . . . . 0.547 HD13 ' O ' ' D' ' 26' ' ' LEU . 2.2 mp -63.76 -42.21 97.85 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 120.901 0.382 . . . . 51.41 110.869 173.592 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.545 HG13 ' HA ' ' D' ' 28' ' ' GLU . 6.7 mt -62.62 -37.44 78.97 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 C-N-CA 118.327 -1.349 . . . . 52.86 110.535 178.103 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 32' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -69.86 -31.1 68.76 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.184 -1.007 . . . . 65.66 112.021 178.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 mt -74.55 -31.8 62.22 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 112.962 0.727 . . . . 52.77 112.962 179.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 34' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -82.33 -43.5 17.37 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 118.513 -1.275 . . . . 60.71 112.675 -173.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 35' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 . . . . . 0 C--N 1.326 -0.429 0 C-N-CA 120.031 -0.668 . . . . 87.58 111.645 -177.831 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_