data_1pd3_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1pd3 _Structure_validation_residue.Date_analyzed 2016-10-12 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 ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.352 0 N-CA-C 117.216 1.646 . . . . 62.71 117.216 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.286 0.0 OUTLIER -51.12 -33.66 27.42 Favored 'General case' 0 CA--C 1.584 2.285 0 N-CA-C 121.16 3.763 . . . . 84.66 121.16 -170.235 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -69.74 -51.33 35.07 Favored 'General case' 0 CA--C 1.557 1.222 0 O-C-N 121.187 -0.946 . . . . 56.62 112.165 -177.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -53.59 -35.74 61.17 Favored 'General case' 0 C--O 1.178 -2.668 0 N-CA-C 115.042 1.497 . . . . 77.08 115.042 171.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -79.22 -37.74 37.37 Favored 'General case' 0 N--CA 1.39 -3.444 0 O-C-N 119.513 -1.992 . . . . 64.34 105.694 -170.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -69.91 -36.9 75.76 Favored 'General case' 0 C--O 1.189 -2.108 0 CA-C-O 118.444 -0.789 . . . . 75.49 111.399 176.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.3 mt -60.72 -55.55 31.9 Favored 'General case' 0 C--O 1.25 1.09 0 CA-C-N 119.429 1.013 . . . . 38.35 109.948 175.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.77 -29.62 33.95 Favored Glycine 1 C--O 1.156 -4.744 0 N-CA-C 106.576 -2.61 . . . . 37.19 106.576 178.746 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -78.32 -31.9 48.99 Favored 'General case' 0 C--O 1.271 2.201 0 CA-C-N 123.392 3.596 . . . . 71.29 110.825 -179.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -66.52 -36.77 83.52 Favored 'General case' 0 N--CA 1.414 -2.25 0 N-CA-C 108.119 -1.067 . . . . 45.68 108.119 176.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CE1' ' CD1' ' A' ' 113' ' ' ILE . 44.7 m-85 -66.13 -43.08 88.14 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.067 1.136 . . . . 56.43 114.067 178.924 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLU . . . . . 0.535 ' OE2' ' NH2' ' A' ' 77' ' ' ARG 0.32 0.0 OUTLIER -58.58 -39.52 80.57 Favored 'General case' 0 N--CA 1.413 -2.298 0 O-C-N 121.76 -0.588 . . . . 44.52 112.246 172.6 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -69.86 -42.97 72.82 Favored 'General case' 1 C--O 1.308 4.138 0 N-CA-C 115.547 1.684 . . . . 43.08 115.547 179.469 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 92.0 mt -52.64 -44.62 46.62 Favored 'Isoleucine or valine' 1 C--O 1.33 5.311 0 CA-C-N 115.587 -0.733 . . . . 24.77 111.239 170.263 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ARG . . . . . 0.535 ' NH2' ' OE2' ' A' ' 74' ' ' GLU . 34.1 ttp-105 -69.73 -45.36 68.34 Favored 'General case' 0 CA--C 1.478 -1.799 0 N-CA-C 106.282 -1.747 . . . . 34.24 106.282 -175.026 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 44.4 t-105 -58.37 -48.92 79.05 Favored 'General case' 0 N--CA 1.441 -0.919 0 C-N-CA 118.658 -1.217 . . . . 29.41 111.82 177.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.9 mt -60.38 -35.23 75.23 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 121.467 1.94 . . . . 27.36 113.479 175.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 41.9 mt -65.19 -39.03 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.261 0 C-N-CA 116.492 -2.083 . . . . 34.18 115.106 174.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.64 -36.13 81.83 Favored 'General case' 0 CA--C 1.571 1.774 0 CA-C-N 119.618 1.099 . . . . 30.99 112.969 177.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . 0.275 29.9 mt-10 -69.55 -47.48 63.56 Favored 'General case' 1 N--CA 1.359 -5.002 0 CA-C-O 122.707 1.241 . . . . 42.97 110.485 -178.075 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . 0.333 1.3 m -63.38 -37.2 78.9 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.229 0 C-N-CA 111.859 -3.936 . . . . 37.8 106.876 175.056 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.3 tpt85 -65.23 -28.03 69.08 Favored 'General case' 0 CA--C 1.57 1.721 0 CA-C-N 125.648 3.84 . . . . 36.86 109.932 -177.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -73.98 -31.7 63.1 Favored 'General case' 0 N--CA 1.403 -2.811 0 CA-C-O 121.463 0.649 . . . . 41.38 109.467 -172.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -75.73 -1.55 25.45 Favored 'General case' 0 C--O 1.159 -3.659 0 O-C-N 120.858 -1.151 . . . . 40.47 113.244 174.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 64.6 mt -101.57 157.86 16.51 Favored 'General case' 0 C--O 1.261 1.692 0 CA-C-N 121.853 2.115 . . . . 46.28 109.87 -179.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -128.36 105.82 8.59 Favored 'General case' 0 C--O 1.276 2.457 1 N-CA-C 99.064 -4.421 . . . . 78.69 99.064 176.957 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.9 pt -143.16 161.09 17.5 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.518 0 O-C-N 126.675 2.484 . . . . 51.76 108.602 -172.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.4 p -93.73 162.07 14.08 Favored 'General case' 0 CA--C 1.496 -1.108 0 CA-C-O 121.26 0.552 . . . . 54.13 111.01 -173.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -73.96 -17.59 60.99 Favored 'General case' 0 CA--C 1.463 -2.391 0 CA-C-N 114.516 -1.22 . . . . 92.02 111.913 -167.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.96 16.53 16.13 Favored 'General case' 0 N--CA 1.434 -1.26 0 C-N-CA 115.797 -2.361 . . . . 72.96 114.407 171.772 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 89.6 p -54.13 144.01 20.9 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 124.734 1.271 . . . . 46.66 113.035 168.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -54.24 -33.04 57.51 Favored 'General case' 0 CA--C 1.605 3.061 0 CA-C-O 126.497 3.046 . . . . 39.42 110.124 167.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.31 -49.26 72.44 Favored 'General case' 0 N--CA 1.393 -3.313 0 N-CA-C 121.538 3.903 . . . . 73.04 121.538 -179.639 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 45.9 tp60 -51.13 -52.17 46.4 Favored 'General case' 0 N--CA 1.402 -2.842 0 C-N-CA 124.625 1.17 . . . . 48.21 112.229 165.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 89.5 mt -57.58 -40.47 75.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 O-C-N 120.719 -1.238 . . . . 35.8 110.304 -179.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 97.6 m -67.83 -42.82 80.87 Favored 'General case' 0 C--O 1.203 -1.36 0 CA-C-O 115.87 -2.014 . . . . 33.12 110.562 -178.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -60.75 -45.48 94.16 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 120.888 1.676 . . . . 38.05 113.191 174.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 57.6 mtm -59.74 -38.04 80.61 Favored 'General case' 0 CA--C 1.49 -1.342 0 CA-C-O 122.175 0.988 . . . . 56.29 112.214 176.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . 0.266 50.9 tt0 -73.43 -30.64 63.35 Favored 'General case' 0 N--CA 1.414 -2.252 0 C-N-CA 116.855 -1.938 . . . . 53.27 108.891 -174.634 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.41 -43.43 56.38 Favored 'General case' 0 N--CA 1.409 -2.492 0 N-CA-C 107.417 -1.327 . . . . 27.13 107.417 -178.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 56.9 mt -61.3 -44.26 97.5 Favored 'General case' 0 C--O 1.262 1.736 0 N-CA-C 108.313 -0.995 . . . . 28.01 108.313 -178.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -62.37 -37.36 85.42 Favored 'General case' 0 CA--C 1.478 -1.795 0 C-N-CA 118.19 -1.404 . . . . 40.71 113.663 178.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.2 tp -73.32 -35.75 66.11 Favored 'General case' 0 C--O 1.207 -1.146 0 O-C-N 125.13 1.519 . . . . 38.66 108.696 -172.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.2 tp -64.62 -46.77 81.19 Favored 'General case' 0 N--CA 1.399 -3.006 0 CA-C-O 115.864 -2.017 . . . . 32.78 112.644 175.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.7 mt -58.39 -38.09 76.63 Favored 'General case' 0 C--N 1.372 1.556 0 CA-C-N 121.733 2.06 . . . . 31.14 112.301 171.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -71.37 -41.68 69.38 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.924 -1.139 . . . . 71.56 107.924 -175.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.8 t -66.35 -44.17 91.02 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.292 0 C-N-CA 118.332 -1.347 . . . . 35.87 112.496 179.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -58.59 -39.19 79.66 Favored 'General case' 0 C--O 1.193 -1.903 0 O-C-N 120.424 -1.422 . . . . 48.41 109.214 171.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' GLN . . . . . 0.958 ' OE1' ' NH1' ' A' ' 114' ' ' ARG . 16.6 mm-40 -62.29 -34.44 76.58 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 117.702 -3.124 . . . . 61.8 114.385 172.589 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -71.65 -40.21 69.82 Favored 'General case' 0 N--CA 1.409 -2.486 0 CA-C-O 121.656 0.741 . . . . 61.42 110.487 -174.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ILE . . . . . 0.578 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 47.5 mt -61.89 -27.79 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.249 0 O-C-N 120.839 -1.163 . . . . 45.76 112.923 172.215 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ARG . . . . . 0.958 ' NH1' ' OE1' ' A' ' 111' ' ' GLN . 21.0 ttp180 -76.13 -23.7 54.86 Favored 'General case' 0 N--CA 1.421 -1.887 0 N-CA-C 105.988 -1.856 . . . . 59.42 105.988 -176.08 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.12 -13.95 14.6 Favored 'General case' 0 CA--C 1.486 -1.502 0 O-C-N 121.19 -0.944 . . . . 60.53 113.032 -161.21 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 25.0 t80 . . . . . 0 C--O 1.271 2.195 0 C-N-CA 127.002 2.121 . . . . 83.88 110.88 168.468 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 CA-C-O 121.878 0.71 . . . . 101.12 113.741 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -57.64 -3.91 0.23 Allowed 'General case' 0 CA--C 1.593 2.614 0 C-N-CA 128.487 2.715 . . . . 111.88 117.53 168.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 34.0 p-90 -74.72 -42.54 58.14 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-O 121.83 0.824 . . . . 92.66 110.29 177.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.88 -30.95 71.21 Favored 'General case' 0 N--CA 1.427 -1.593 0 CA-C-O 123.959 1.838 . . . . 89.51 112.028 178.819 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -88.97 -29.9 19.19 Favored 'General case' 0 N--CA 1.38 -3.964 0 CA-C-N 112.19 -2.277 . . . . 76.72 109.204 -174.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.38 -35.37 54.46 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 116.393 -2.123 . . . . 81.46 109.481 178.362 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 tp -68.9 -48.87 62.27 Favored 'General case' 0 N--CA 1.401 -2.902 0 CA-C-N 114.982 -1.008 . . . . 48.04 109.924 -175.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -51.73 -36.84 41.55 Favored Glycine 0 N--CA 1.421 -2.326 0 CA-C-O 117.977 -1.457 . . . . 45.76 114.885 169.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -66.71 -30.05 70.2 Favored 'General case' 0 C--O 1.253 1.276 0 CA-C-N 122.243 3.021 . . . . 85.22 111.547 175.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -68.65 -44.06 74.95 Favored 'General case' 0 N--CA 1.425 -1.678 0 N-CA-C 104.709 -2.33 . . . . 60.83 104.709 -172.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -65.53 -40.66 93.18 Favored 'General case' 0 C--O 1.171 -3.077 0 N-CA-C 116.32 1.971 . . . . 56.51 116.32 176.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -50.01 -51.49 41.51 Favored 'General case' 0 CA--C 1.48 -1.712 0 CA-C-N 119.963 1.256 . . . . 41.86 112.496 161.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -65.35 -38.75 91.03 Favored 'General case' 0 N--CA 1.412 -2.356 0 C-N-CA 118.153 -1.419 . . . . 41.25 113.191 -177.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 58.8 mt -67.55 -45.89 84.24 Favored 'Isoleucine or valine' 0 C--O 1.29 3.187 0 N-CA-C 104.837 -2.282 . . . . 28.46 104.837 -173.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 28.1 ttp-105 -58.4 -52.21 66.58 Favored 'General case' 0 C--O 1.185 -2.318 0 CA-C-N 114.525 -1.216 . . . . 35.68 112.571 -179.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' TRP . . . . . . . . . . . . . 55.7 t-105 -52.71 -45.88 67.11 Favored 'General case' 0 C--O 1.278 2.593 0 O-C-N 121.674 -0.641 . . . . 39.01 112.637 173.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -40.91 86.19 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 116.143 -2.223 . . . . 28.41 106.731 -175.641 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 19.8 mt -56.86 -36.86 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.11 0 N-CA-C 115.332 1.604 . . . . 39.23 115.332 175.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.29 0.0 OUTLIER -69.31 -37.43 77.77 Favored 'General case' 0 N--CA 1.415 -2.224 0 CA-C-N 113.778 -1.555 . . . . 57.51 112.451 178.81 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -68.51 -40.0 81.03 Favored 'General case' 0 C--O 1.167 -3.274 0 C-N-CA 117.335 -1.746 . . . . 43.42 112.107 176.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.94 -43.08 86.01 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.029 0 N-CA-C 107.654 -1.239 . . . . 37.78 107.654 179.159 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' ARG . . . . . . . . . . . . . 52.7 tpt85 -57.45 -39.0 75.36 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 119.434 -2.041 . . . . 34.93 112.579 174.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -59.14 -27.07 65.28 Favored 'General case' 0 C--O 1.197 -1.672 0 O-C-N 120.37 -1.456 . . . . 45.23 113.44 -177.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -88.34 -11.1 47.27 Favored 'General case' 1 C--O 1.151 -4.122 0 CA-C-O 115.919 -1.991 . . . . 48.13 112.037 -176.711 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 51.7 mt -90.28 151.27 21.58 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-N 121.92 2.145 . . . . 48.62 109.675 -179.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -116.66 111.14 19.41 Favored 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 102.544 -3.132 . . . . 85.11 102.544 169.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -147.14 163.43 7.62 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 N-CA-C 105.653 -1.981 . . . . 52.45 105.653 -173.844 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 8.6 p -102.12 165.83 10.94 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 118.907 -1.117 . . . . 50.67 109.557 -166.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -77.23 -14.0 59.84 Favored 'General case' 0 CA--C 1.432 -3.581 0 O-C-N 120.876 -1.14 . . . . 75.11 108.783 -161.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -113.33 9.52 18.27 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 117.787 -1.565 . . . . 72.63 114.932 176.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 47.0 p -60.18 149.22 33.59 Favored 'General case' 0 CA--C 1.569 1.682 0 CA-C-O 122.83 1.3 . . . . 41.13 111.707 168.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -54.92 -41.06 70.54 Favored 'General case' 0 N--CA 1.415 -2.192 0 CA-C-O 126.325 2.964 . . . . 38.84 111.59 172.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -51.49 -48.62 62.84 Favored 'General case' 0 C--N 1.287 -2.134 0 O-C-N 120.066 -1.646 . . . . 72.18 114.928 175.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -69.64 -43.68 72.16 Favored 'General case' 0 CA--C 1.482 -1.657 0 C-N-CA 124.845 1.258 . . . . 47.2 108.435 -175.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 12.7 mt -59.5 -45.73 93.55 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 O-C-N 124.317 1.01 . . . . 39.38 109.548 178.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' THR . . . . . . . . . . . . . 52.2 m -69.75 -46.16 66.49 Favored 'General case' 0 C--O 1.21 -0.982 0 N-CA-C 106.788 -1.56 . . . . 35.26 106.788 -174.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -51.96 -37.17 51.98 Favored 'General case' 0 C--O 1.193 -1.898 0 CA-C-N 120.257 1.389 . . . . 39.88 112.613 170.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' MET . . . . . 1.413 ' SD ' ' CE ' ' B' ' 100' ' ' MET . 68.3 mtm -85.47 -32.42 22.27 Favored 'General case' 0 C--O 1.181 -2.503 0 C-N-CA 116.236 -2.185 . . . . 55.77 109.801 -171.39 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -55.57 -43.9 76.37 Favored 'General case' 0 CA--C 1.583 2.248 0 CA-C-N 121.551 1.978 . . . . 54.22 112.751 168.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.32 -45.92 85.78 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 105.625 -1.991 . . . . 24.48 105.625 -176.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 16.3 mt -70.36 -43.68 69.67 Favored 'General case' 0 C--O 1.25 1.088 0 N-CA-C 106.835 -1.542 . . . . 26.72 106.835 -174.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -53.79 -46.3 70.98 Favored 'General case' 0 CA--C 1.472 -2.057 0 CA-C-O 115.902 -1.999 . . . . 45.62 115.782 170.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.32 -41.42 85.34 Favored 'General case' 0 C--O 1.184 -2.351 0 CA-C-N 119.832 1.196 . . . . 43.02 110.399 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 17.9 mt -59.74 -36.95 77.63 Favored 'General case' 0 C--O 1.167 -3.265 0 CA-C-O 113.426 -3.178 . . . . 34.93 113.358 176.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 9.9 mt -73.94 -40.39 63.11 Favored 'General case' 0 C--O 1.17 -3.116 0 CA-C-N 122.721 2.51 . . . . 29.94 108.004 -178.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -60.48 -48.73 80.49 Favored 'General case' 0 CA--C 1.578 2.029 0 CA-C-N 121.191 1.814 . . . . 58.87 114.618 172.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 64.5 t -52.96 -39.39 32.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 O-C-N 119.32 -2.112 . . . . 32.49 114.275 169.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -72.46 -24.62 61.22 Favored 'General case' 0 C--N 1.345 0.397 0 CA-C-O 124.491 2.091 . . . . 46.74 108.198 -174.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -83.81 -35.52 24.2 Favored 'General case' 0 N--CA 1.383 -3.798 0 N-CA-C 117.546 2.425 . . . . 68.47 117.546 175.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' B' ' 113' ' ' ILE . 13.2 mt-10 -57.49 -45.07 85.32 Favored 'General case' 0 N--CA 1.407 -2.598 0 N-CA-C 112.858 0.688 . . . . 67.07 112.858 162.159 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' B' ' 112' ' ' GLU . 0.9 OUTLIER -56.7 -42.45 76.99 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.393 0 O-C-N 116.646 -3.784 . . . . 51.17 110.39 177.477 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 8.9 ttp-105 -67.13 -45.07 78.23 Favored 'General case' 0 C--O 1.174 -2.913 0 N-CA-C 108.114 -1.069 . . . . 52.51 108.114 -170.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' THR . . . . . 0.844 ' O ' ' C ' ' B' ' 116' ' ' PHE . 15.4 p -80.74 -76.61 0.23 Allowed 'General case' 0 N--CA 1.41 -2.425 0 N-CA-C 104.93 -2.248 . . . . 63.72 104.93 -177.533 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' PHE . . . . . 0.844 ' C ' ' O ' ' B' ' 115' ' ' THR 0.26 41.9 t80 . . . . . 0 CA--C 1.562 1.424 2 O-C-N 114.477 -5.139 . . . . 76.33 118.147 177.277 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.352 0 N-CA-C 117.216 1.646 . . . . 62.710000000000001 117.216 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.286 0.0 OUTLIER -51.12 -33.66 27.42 Favored 'General case' 0 CA--C 1.584 2.285 0 N-CA-C 121.16 3.763 . . . . 84.659999999999997 121.16 -170.235 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -69.74 -51.33 35.07 Favored 'General case' 0 CA--C 1.557 1.222 0 O-C-N 121.187 -0.946 . . . . 56.619999999999997 112.165 -177.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -53.59 -35.74 61.17 Favored 'General case' 0 C--O 1.178 -2.668 0 N-CA-C 115.042 1.497 . . . . 77.079999999999998 115.042 171.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -79.22 -37.74 37.37 Favored 'General case' 0 N--CA 1.39 -3.444 0 O-C-N 119.513 -1.992 . . . . 64.340000000000003 105.694 -170.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -69.91 -36.9 75.76 Favored 'General case' 0 C--O 1.189 -2.108 0 CA-C-O 118.444 -0.789 . . . . 75.489999999999995 111.399 176.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.3 mt -60.72 -55.55 31.9 Favored 'General case' 0 C--O 1.25 1.09 0 CA-C-N 119.429 1.013 . . . . 38.350000000000001 109.948 175.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.77 -29.62 33.95 Favored Glycine 1 C--O 1.156 -4.744 0 N-CA-C 106.576 -2.61 . . . . 37.189999999999998 106.576 178.746 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -78.32 -31.9 48.99 Favored 'General case' 0 C--O 1.271 2.201 0 CA-C-N 123.392 3.596 . . . . 71.290000000000006 110.825 -179.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -66.52 -36.77 83.52 Favored 'General case' 0 N--CA 1.414 -2.25 0 N-CA-C 108.119 -1.067 . . . . 45.68 108.119 176.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CE1' ' CD1' ' A' ' 113' ' ' ILE . 44.7 m-85 -66.13 -43.08 88.14 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.067 1.136 . . . . 56.43 114.067 178.924 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLU . . . . . 0.47 ' OE2' ' NH2' ' A' ' 77' ' ' ARG 0.32 0.0 OUTLIER -58.58 -39.52 80.57 Favored 'General case' 0 N--CA 1.413 -2.298 0 O-C-N 121.76 -0.588 . . . . 44.520000000000003 112.246 172.6 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLU . . . . . 0.401 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 51.4 tp10 -69.86 -42.97 72.82 Favored 'General case' 1 C--O 1.308 4.138 0 N-CA-C 115.547 1.684 . . . . 43.079999999999998 115.547 179.469 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 92.0 mt -52.64 -44.62 46.62 Favored 'Isoleucine or valine' 1 C--O 1.33 5.311 0 CA-C-N 115.587 -0.733 . . . . 24.77 111.239 170.263 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ARG . . . . . 0.47 ' NH2' ' OE2' ' A' ' 74' ' ' GLU . 34.1 ttp-105 -69.73 -45.36 68.34 Favored 'General case' 0 CA--C 1.478 -1.799 0 N-CA-C 106.282 -1.747 . . . . 34.240000000000002 106.282 -175.026 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 44.4 t-105 -58.37 -48.92 79.05 Favored 'General case' 0 N--CA 1.441 -0.919 0 C-N-CA 118.658 -1.217 . . . . 29.41 111.82 177.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 75' ' ' GLU . 19.9 mt -60.38 -35.23 75.23 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 121.467 1.94 . . . . 27.359999999999999 113.479 175.88 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ILE . . . . . 0.541 HD11 HD11 ' B' ' 80' ' ' ILE . 41.9 mt -65.19 -39.03 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.261 0 C-N-CA 116.492 -2.083 . . . . 34.18 115.106 174.188 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.64 -36.13 81.83 Favored 'General case' 0 CA--C 1.571 1.774 0 CA-C-N 119.618 1.099 . . . . 30.989999999999998 112.969 177.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . 0.275 29.9 mt-10 -69.55 -47.48 63.56 Favored 'General case' 1 N--CA 1.359 -5.002 0 CA-C-O 122.707 1.241 . . . . 42.969999999999999 110.485 -178.075 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' VAL . . . . . 0.478 HG12 ' HB ' ' B' ' 98' ' ' THR 0.333 1.3 m -63.38 -37.2 78.9 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.229 0 C-N-CA 111.859 -3.936 . . . . 37.799999999999997 106.876 175.056 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ARG . . . . . 0.453 ' HE ' HE22 ' A' ' 96' ' ' GLN . 35.3 tpt85 -65.23 -28.03 69.08 Favored 'General case' 0 CA--C 1.57 1.721 0 CA-C-N 125.648 3.84 . . . . 36.859999999999999 109.932 -177.01 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -73.98 -31.7 63.1 Favored 'General case' 0 N--CA 1.403 -2.811 0 CA-C-O 121.463 0.649 . . . . 41.380000000000003 109.467 -172.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -75.73 -1.55 25.45 Favored 'General case' 0 C--O 1.159 -3.659 0 O-C-N 120.858 -1.151 . . . . 40.469999999999999 113.244 174.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 64.6 mt -101.57 157.86 16.51 Favored 'General case' 0 C--O 1.261 1.692 0 CA-C-N 121.853 2.115 . . . . 46.280000000000001 109.87 -179.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -128.36 105.82 8.59 Favored 'General case' 0 C--O 1.276 2.457 1 N-CA-C 99.064 -4.421 . . . . 78.689999999999998 99.064 176.957 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.9 pt -143.16 161.09 17.5 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.518 0 O-C-N 126.675 2.484 . . . . 51.759999999999998 108.602 -172.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.4 p -93.73 162.07 14.08 Favored 'General case' 0 CA--C 1.496 -1.108 0 CA-C-O 121.26 0.552 . . . . 54.130000000000003 111.01 -173.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -73.96 -17.59 60.99 Favored 'General case' 0 CA--C 1.463 -2.391 0 CA-C-N 114.516 -1.22 . . . . 92.019999999999996 111.913 -167.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.96 16.53 16.13 Favored 'General case' 0 N--CA 1.434 -1.26 0 C-N-CA 115.797 -2.361 . . . . 72.959999999999994 114.407 171.772 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 89.6 p -54.13 144.01 20.9 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 124.734 1.271 . . . . 46.659999999999997 113.035 168.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -54.24 -33.04 57.51 Favored 'General case' 0 CA--C 1.605 3.061 0 CA-C-O 126.497 3.046 . . . . 39.420000000000002 110.124 167.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.31 -49.26 72.44 Favored 'General case' 0 N--CA 1.393 -3.313 0 N-CA-C 121.538 3.903 . . . . 73.040000000000006 121.538 -179.639 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLN . . . . . 0.453 HE22 ' HE ' ' A' ' 84' ' ' ARG . 4.7 tp-100 -51.13 -52.17 46.4 Favored 'General case' 0 N--CA 1.402 -2.842 0 C-N-CA 124.625 1.17 . . . . 48.210000000000001 112.229 165.393 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 89.5 mt -57.58 -40.47 75.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 O-C-N 120.719 -1.238 . . . . 35.799999999999997 110.304 -179.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' THR . . . . . 0.496 ' CG2' HG23 ' B' ' 83' ' ' VAL . 97.6 m -67.83 -42.82 80.87 Favored 'General case' 0 C--O 1.203 -1.36 0 CA-C-O 115.87 -2.014 . . . . 33.119999999999997 110.562 -178.186 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -60.75 -45.48 94.16 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 120.888 1.676 . . . . 38.049999999999997 113.191 174.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 57.6 mtm -59.74 -38.04 80.61 Favored 'General case' 0 CA--C 1.49 -1.342 0 CA-C-O 122.175 0.988 . . . . 56.289999999999999 112.214 176.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . 0.266 50.9 tt0 -73.43 -30.64 63.35 Favored 'General case' 0 N--CA 1.414 -2.252 0 C-N-CA 116.855 -1.938 . . . . 53.270000000000003 108.891 -174.634 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.41 -43.43 56.38 Favored 'General case' 0 N--CA 1.409 -2.492 0 N-CA-C 107.417 -1.327 . . . . 27.129999999999999 107.417 -178.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 103' ' ' LEU . 56.9 mt -61.3 -44.26 97.5 Favored 'General case' 0 C--O 1.262 1.736 0 N-CA-C 108.313 -0.995 . . . . 28.010000000000002 108.313 -178.776 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -62.37 -37.36 85.42 Favored 'General case' 0 CA--C 1.478 -1.795 0 C-N-CA 118.19 -1.404 . . . . 40.710000000000001 113.663 178.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.2 tp -73.32 -35.75 66.11 Favored 'General case' 0 C--O 1.207 -1.146 0 O-C-N 125.13 1.519 . . . . 38.659999999999997 108.696 -172.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' LEU . . . . . 0.58 HD13 HD13 ' B' ' 76' ' ' ILE . 3.2 tp -64.62 -46.77 81.19 Favored 'General case' 0 N--CA 1.399 -3.006 0 CA-C-O 115.864 -2.017 . . . . 32.780000000000001 112.644 175.539 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LEU . . . . . 0.408 ' O ' ' HG2' ' A' ' 111' ' ' GLN . 22.7 mt -58.39 -38.09 76.63 Favored 'General case' 0 C--N 1.372 1.556 0 CA-C-N 121.733 2.06 . . . . 31.140000000000001 112.301 171.17 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -71.37 -41.68 69.38 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.924 -1.139 . . . . 71.560000000000002 107.924 -175.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.8 t -66.35 -44.17 91.02 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.292 0 C-N-CA 118.332 -1.347 . . . . 35.869999999999997 112.496 179.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -58.59 -39.19 79.66 Favored 'General case' 0 C--O 1.193 -1.903 0 O-C-N 120.424 -1.422 . . . . 48.409999999999997 109.214 171.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' GLN . . . . . 0.958 ' OE1' ' NH1' ' A' ' 114' ' ' ARG . 16.6 mm-40 -62.29 -34.44 76.58 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 117.702 -3.124 . . . . 61.799999999999997 114.385 172.589 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -71.65 -40.21 69.82 Favored 'General case' 0 N--CA 1.409 -2.486 0 CA-C-O 121.656 0.741 . . . . 61.420000000000002 110.487 -174.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ILE . . . . . 0.578 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 47.5 mt -61.89 -27.79 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.249 0 O-C-N 120.839 -1.163 . . . . 45.759999999999998 112.923 172.215 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ARG . . . . . 0.958 ' NH1' ' OE1' ' A' ' 111' ' ' GLN . 21.0 ttp180 -76.13 -23.7 54.86 Favored 'General case' 0 N--CA 1.421 -1.887 0 N-CA-C 105.988 -1.856 . . . . 59.420000000000002 105.988 -176.08 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.12 -13.95 14.6 Favored 'General case' 0 CA--C 1.486 -1.502 0 O-C-N 121.19 -0.944 . . . . 60.530000000000001 113.032 -161.21 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 25.0 t80 . . . . . 0 C--O 1.271 2.195 0 C-N-CA 127.002 2.121 . . . . 83.879999999999995 110.88 168.468 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 CA-C-O 121.878 0.71 . . . . 101.12 113.741 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -57.64 -3.91 0.23 Allowed 'General case' 0 CA--C 1.593 2.614 0 C-N-CA 128.487 2.715 . . . . 111.88 117.53 168.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 34.0 p-90 -74.72 -42.54 58.14 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-O 121.83 0.824 . . . . 92.659999999999997 110.29 177.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.88 -30.95 71.21 Favored 'General case' 0 N--CA 1.427 -1.593 0 CA-C-O 123.959 1.838 . . . . 89.510000000000005 112.028 178.819 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -88.97 -29.9 19.19 Favored 'General case' 0 N--CA 1.38 -3.964 0 CA-C-N 112.19 -2.277 . . . . 76.719999999999999 109.204 -174.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.38 -35.37 54.46 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 116.393 -2.123 . . . . 81.459999999999994 109.481 178.362 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 tp -68.9 -48.87 62.27 Favored 'General case' 0 N--CA 1.401 -2.902 0 CA-C-N 114.982 -1.008 . . . . 48.039999999999999 109.924 -175.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -51.73 -36.84 41.55 Favored Glycine 0 N--CA 1.421 -2.326 0 CA-C-O 117.977 -1.457 . . . . 45.759999999999998 114.885 169.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -66.71 -30.05 70.2 Favored 'General case' 0 C--O 1.253 1.276 0 CA-C-N 122.243 3.021 . . . . 85.219999999999999 111.547 175.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -68.65 -44.06 74.95 Favored 'General case' 0 N--CA 1.425 -1.678 0 N-CA-C 104.709 -2.33 . . . . 60.829999999999998 104.709 -172.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -65.53 -40.66 93.18 Favored 'General case' 0 C--O 1.171 -3.077 0 N-CA-C 116.32 1.971 . . . . 56.509999999999998 116.32 176.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -50.01 -51.49 41.51 Favored 'General case' 0 CA--C 1.48 -1.712 0 CA-C-N 119.963 1.256 . . . . 41.859999999999999 112.496 161.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' GLU . . . . . 0.524 ' O ' HD22 ' B' ' 79' ' ' LEU . 32.5 tp10 -65.35 -38.75 91.03 Favored 'General case' 0 N--CA 1.412 -2.356 0 C-N-CA 118.153 -1.419 . . . . 41.25 113.191 -177.556 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 76' ' ' ILE . . . . . 0.58 HD13 HD13 ' A' ' 106' ' ' LEU . 58.8 mt -67.55 -45.89 84.24 Favored 'Isoleucine or valine' 0 C--O 1.29 3.187 0 N-CA-C 104.837 -2.282 . . . . 28.460000000000001 104.837 -173.77 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 28.1 ttp-105 -58.4 -52.21 66.58 Favored 'General case' 0 C--O 1.185 -2.318 0 CA-C-N 114.525 -1.216 . . . . 35.68 112.571 -179.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' TRP . . . . . 0.442 ' O ' ' HG3' ' B' ' 82' ' ' GLU . 55.7 t-105 -52.71 -45.88 67.11 Favored 'General case' 0 C--O 1.278 2.593 0 O-C-N 121.674 -0.641 . . . . 39.009999999999998 112.637 173.395 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 79' ' ' LEU . . . . . 0.524 HD22 ' O ' ' B' ' 75' ' ' GLU . 0.1 OUTLIER -67.28 -40.91 86.19 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 116.143 -2.223 . . . . 28.41 106.731 -175.641 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 80' ' ' ILE . . . . . 0.541 HD11 HD11 ' A' ' 80' ' ' ILE . 19.8 mt -56.86 -36.86 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.11 0 N-CA-C 115.332 1.604 . . . . 39.229999999999997 115.332 175.073 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.29 0.0 OUTLIER -69.31 -37.43 77.77 Favored 'General case' 0 N--CA 1.415 -2.224 0 CA-C-N 113.778 -1.555 . . . . 57.509999999999998 112.451 178.81 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 82' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' B' ' 78' ' ' TRP . 41.3 mt-10 -68.51 -40.0 81.03 Favored 'General case' 0 C--O 1.167 -3.274 0 C-N-CA 117.335 -1.746 . . . . 43.420000000000002 112.107 176.42 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 83' ' ' VAL . . . . . 0.496 HG23 ' CG2' ' A' ' 98' ' ' THR . 0.9 OUTLIER -67.94 -43.08 86.01 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.029 0 N-CA-C 107.654 -1.239 . . . . 37.780000000000001 107.654 179.159 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 84' ' ' ARG . . . . . . . . . . . . . 52.7 tpt85 -57.45 -39.0 75.36 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 119.434 -2.041 . . . . 34.93 112.579 174.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -59.14 -27.07 65.28 Favored 'General case' 0 C--O 1.197 -1.672 0 O-C-N 120.37 -1.456 . . . . 45.229999999999997 113.44 -177.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -88.34 -11.1 47.27 Favored 'General case' 1 C--O 1.151 -4.122 0 CA-C-O 115.919 -1.991 . . . . 48.130000000000003 112.037 -176.711 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 51.7 mt -90.28 151.27 21.58 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-N 121.92 2.145 . . . . 48.619999999999997 109.675 -179.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -116.66 111.14 19.41 Favored 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 102.544 -3.132 . . . . 85.109999999999999 102.544 169.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -147.14 163.43 7.62 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 N-CA-C 105.653 -1.981 . . . . 52.450000000000003 105.653 -173.844 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 8.6 p -102.12 165.83 10.94 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 118.907 -1.117 . . . . 50.670000000000002 109.557 -166.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -77.23 -14.0 59.84 Favored 'General case' 0 CA--C 1.432 -3.581 0 O-C-N 120.876 -1.14 . . . . 75.109999999999999 108.783 -161.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -113.33 9.52 18.27 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 117.787 -1.565 . . . . 72.629999999999995 114.932 176.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 47.0 p -60.18 149.22 33.59 Favored 'General case' 0 CA--C 1.569 1.682 0 CA-C-O 122.83 1.3 . . . . 41.130000000000003 111.707 168.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -54.92 -41.06 70.54 Favored 'General case' 0 N--CA 1.415 -2.192 0 CA-C-O 126.325 2.964 . . . . 38.840000000000003 111.59 172.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' GLU . . . . . 0.441 ' OE2' ' HB ' ' A' ' 83' ' ' VAL . 2.7 tp10 -51.49 -48.62 62.84 Favored 'General case' 0 C--N 1.287 -2.134 0 O-C-N 120.066 -1.646 . . . . 72.180000000000007 114.928 175.404 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -69.64 -43.68 72.16 Favored 'General case' 0 CA--C 1.482 -1.657 0 C-N-CA 124.845 1.258 . . . . 47.200000000000003 108.435 -175.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 12.7 mt -59.5 -45.73 93.55 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 O-C-N 124.317 1.01 . . . . 39.380000000000003 109.548 178.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' THR . . . . . 0.478 ' HB ' HG12 ' A' ' 83' ' ' VAL . 52.2 m -69.75 -46.16 66.49 Favored 'General case' 0 C--O 1.21 -0.982 0 N-CA-C 106.788 -1.56 . . . . 35.259999999999998 106.788 -174.328 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -51.96 -37.17 51.98 Favored 'General case' 0 C--O 1.193 -1.898 0 CA-C-N 120.257 1.389 . . . . 39.880000000000003 112.613 170.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' MET . . . . . 1.413 ' CE ' ' SD ' ' B' ' 100' ' ' MET . 68.3 mtm -85.47 -32.42 22.27 Favored 'General case' 0 C--O 1.181 -2.503 0 C-N-CA 116.236 -2.185 . . . . 55.770000000000003 109.801 -171.39 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 101' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -55.57 -43.9 76.37 Favored 'General case' 0 CA--C 1.583 2.248 0 CA-C-N 121.551 1.978 . . . . 54.219999999999999 112.751 168.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.32 -45.92 85.78 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 105.625 -1.991 . . . . 24.48 105.625 -176.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 16.3 mt -70.36 -43.68 69.67 Favored 'General case' 0 C--O 1.25 1.088 0 N-CA-C 106.835 -1.542 . . . . 26.719999999999999 106.835 -174.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -53.79 -46.3 70.98 Favored 'General case' 0 CA--C 1.472 -2.057 0 CA-C-O 115.902 -1.999 . . . . 45.619999999999997 115.782 170.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.32 -41.42 85.34 Favored 'General case' 0 C--O 1.184 -2.351 0 CA-C-N 119.832 1.196 . . . . 43.020000000000003 110.399 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 17.9 mt -59.74 -36.95 77.63 Favored 'General case' 0 C--O 1.167 -3.265 0 CA-C-O 113.426 -3.178 . . . . 34.93 113.358 176.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 9.9 mt -73.94 -40.39 63.11 Favored 'General case' 0 C--O 1.17 -3.116 0 CA-C-N 122.721 2.51 . . . . 29.940000000000001 108.004 -178.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -60.48 -48.73 80.49 Favored 'General case' 0 CA--C 1.578 2.029 0 CA-C-N 121.191 1.814 . . . . 58.869999999999997 114.618 172.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 64.5 t -52.96 -39.39 32.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 O-C-N 119.32 -2.112 . . . . 32.490000000000002 114.275 169.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -72.46 -24.62 61.22 Favored 'General case' 0 C--N 1.345 0.397 0 CA-C-O 124.491 2.091 . . . . 46.740000000000002 108.198 -174.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' GLN . . . . . 0.618 ' HG2' HH11 ' B' ' 114' ' ' ARG . 8.4 mt-30 -83.81 -35.52 24.2 Favored 'General case' 0 N--CA 1.383 -3.798 0 N-CA-C 117.546 2.425 . . . . 68.469999999999999 117.546 175.709 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 112' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' B' ' 113' ' ' ILE . 13.2 mt-10 -57.49 -45.07 85.32 Favored 'General case' 0 N--CA 1.407 -2.598 0 N-CA-C 112.858 0.688 . . . . 67.069999999999993 112.858 162.159 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 113' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' B' ' 112' ' ' GLU . 0.9 OUTLIER -56.7 -42.45 76.99 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.393 0 O-C-N 116.646 -3.784 . . . . 51.170000000000002 110.39 177.477 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 114' ' ' ARG . . . . . 0.618 HH11 ' HG2' ' B' ' 111' ' ' GLN . 8.9 ttp-105 -67.13 -45.07 78.23 Favored 'General case' 0 C--O 1.174 -2.913 0 N-CA-C 108.114 -1.069 . . . . 52.509999999999998 108.114 -170.15 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 115' ' ' THR . . . . . 0.844 ' O ' ' C ' ' B' ' 116' ' ' PHE . 15.4 p -80.74 -76.61 0.23 Allowed 'General case' 0 N--CA 1.41 -2.425 0 N-CA-C 104.93 -2.248 . . . . 63.719999999999999 104.93 -177.533 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 116' ' ' PHE . . . . . 0.844 ' C ' ' O ' ' B' ' 115' ' ' THR 0.26 41.9 t80 . . . . . 0 CA--C 1.562 1.424 2 O-C-N 114.477 -5.139 . . . . 76.329999999999998 118.147 177.277 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.352 0 N-CA-C 117.216 1.646 . . . . 62.710000000000001 117.216 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . 0.286 0.0 OUTLIER -51.12 -33.66 27.42 Favored 'General case' 0 CA--C 1.584 2.285 0 N-CA-C 121.16 3.763 . . . . 84.659999999999997 121.16 -170.235 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -69.74 -51.33 35.07 Favored 'General case' 0 CA--C 1.557 1.222 0 O-C-N 121.187 -0.946 . . . . 56.619999999999997 112.165 -177.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -53.59 -35.74 61.17 Favored 'General case' 0 C--O 1.178 -2.668 0 N-CA-C 115.042 1.497 . . . . 77.079999999999998 115.042 171.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -79.22 -37.74 37.37 Favored 'General case' 0 N--CA 1.39 -3.444 0 O-C-N 119.513 -1.992 . . . . 64.340000000000003 105.694 -170.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -69.91 -36.9 75.76 Favored 'General case' 0 C--O 1.189 -2.108 0 CA-C-O 118.444 -0.789 . . . . 75.489999999999995 111.399 176.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.3 mt -60.72 -55.55 31.9 Favored 'General case' 0 C--O 1.25 1.09 0 CA-C-N 119.429 1.013 . . . . 38.350000000000001 109.948 175.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.77 -29.62 33.95 Favored Glycine 1 C--O 1.156 -4.744 0 N-CA-C 106.576 -2.61 . . . . 37.189999999999998 106.576 178.746 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -78.32 -31.9 48.99 Favored 'General case' 0 C--O 1.271 2.201 0 CA-C-N 123.392 3.596 . . . . 71.290000000000006 110.825 -179.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -66.52 -36.77 83.52 Favored 'General case' 0 N--CA 1.414 -2.25 0 N-CA-C 108.119 -1.067 . . . . 45.68 108.119 176.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CE1' ' CD1' ' A' ' 113' ' ' ILE . 44.7 m-85 -66.13 -43.08 88.14 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.067 1.136 . . . . 56.43 114.067 178.924 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.47 ' OE2' ' NH2' ' A' ' 77' ' ' ARG 0.32 0.0 OUTLIER -58.58 -39.52 80.57 Favored 'General case' 0 N--CA 1.413 -2.298 0 O-C-N 121.76 -0.588 . . . . 44.520000000000003 112.246 172.6 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.401 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 51.4 tp10 -69.86 -42.97 72.82 Favored 'General case' 1 C--O 1.308 4.138 0 N-CA-C 115.547 1.684 . . . . 43.079999999999998 115.547 179.469 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 92.0 mt -52.64 -44.62 46.62 Favored 'Isoleucine or valine' 1 C--O 1.33 5.311 0 CA-C-N 115.587 -0.733 . . . . 24.77 111.239 170.263 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.47 ' NH2' ' OE2' ' A' ' 74' ' ' GLU . 34.1 ttp-105 -69.73 -45.36 68.34 Favored 'General case' 0 CA--C 1.478 -1.799 0 N-CA-C 106.282 -1.747 . . . . 34.240000000000002 106.282 -175.026 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 44.4 t-105 -58.37 -48.92 79.05 Favored 'General case' 0 N--CA 1.441 -0.919 0 C-N-CA 118.658 -1.217 . . . . 29.41 111.82 177.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 75' ' ' GLU . 19.9 mt -60.38 -35.23 75.23 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 121.467 1.94 . . . . 27.359999999999999 113.479 175.88 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.541 HD11 HD11 ' B' ' 80' ' ' ILE . 41.9 mt -65.19 -39.03 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.261 0 C-N-CA 116.492 -2.083 . . . . 34.18 115.106 174.188 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -62.64 -36.13 81.83 Favored 'General case' 0 CA--C 1.571 1.774 0 CA-C-N 119.618 1.099 . . . . 30.989999999999998 112.969 177.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . 0.275 29.9 mt-10 -69.55 -47.48 63.56 Favored 'General case' 1 N--CA 1.359 -5.002 0 CA-C-O 122.707 1.241 . . . . 42.969999999999999 110.485 -178.075 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.478 HG12 ' HB ' ' B' ' 98' ' ' THR 0.333 1.3 m -63.38 -37.2 78.9 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.229 0 C-N-CA 111.859 -3.936 . . . . 37.799999999999997 106.876 175.056 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.3 tpt85 -65.23 -28.03 69.08 Favored 'General case' 0 CA--C 1.57 1.721 0 CA-C-N 125.648 3.84 . . . . 36.859999999999999 109.932 -177.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -73.98 -31.7 63.1 Favored 'General case' 0 N--CA 1.403 -2.811 0 CA-C-O 121.463 0.649 . . . . 41.380000000000003 109.467 -172.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -75.73 -1.55 25.45 Favored 'General case' 0 C--O 1.159 -3.659 0 O-C-N 120.858 -1.151 . . . . 40.469999999999999 113.244 174.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 64.6 mt -101.57 157.86 16.51 Favored 'General case' 0 C--O 1.261 1.692 0 CA-C-N 121.853 2.115 . . . . 46.280000000000001 109.87 -179.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -128.36 105.82 8.59 Favored 'General case' 0 C--O 1.276 2.457 1 N-CA-C 99.064 -4.421 . . . . 78.689999999999998 99.064 176.957 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.9 pt -143.16 161.09 17.5 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.518 0 O-C-N 126.675 2.484 . . . . 51.759999999999998 108.602 -172.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.4 p -93.73 162.07 14.08 Favored 'General case' 0 CA--C 1.496 -1.108 0 CA-C-O 121.26 0.552 . . . . 54.130000000000003 111.01 -173.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -73.96 -17.59 60.99 Favored 'General case' 0 CA--C 1.463 -2.391 0 CA-C-N 114.516 -1.22 . . . . 92.019999999999996 111.913 -167.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.96 16.53 16.13 Favored 'General case' 0 N--CA 1.434 -1.26 0 C-N-CA 115.797 -2.361 . . . . 72.959999999999994 114.407 171.772 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 89.6 p -54.13 144.01 20.9 Favored 'General case' 0 C--O 1.241 0.632 0 O-C-N 124.734 1.271 . . . . 46.659999999999997 113.035 168.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -54.24 -33.04 57.51 Favored 'General case' 0 CA--C 1.605 3.061 0 CA-C-O 126.497 3.046 . . . . 39.420000000000002 110.124 167.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.31 -49.26 72.44 Favored 'General case' 0 N--CA 1.393 -3.313 0 N-CA-C 121.538 3.903 . . . . 73.040000000000006 121.538 -179.639 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.608 HE21 ' CE ' ' A' ' 100' ' ' MET . 45.9 tp60 -51.13 -52.17 46.4 Favored 'General case' 0 N--CA 1.402 -2.842 0 C-N-CA 124.625 1.17 . . . . 48.210000000000001 112.229 165.393 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 89.5 mt -57.58 -40.47 75.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 O-C-N 120.719 -1.238 . . . . 35.799999999999997 110.304 -179.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' THR . . . . . 0.496 ' CG2' HG23 ' B' ' 83' ' ' VAL . 97.6 m -67.83 -42.82 80.87 Favored 'General case' 0 C--O 1.203 -1.36 0 CA-C-O 115.87 -2.014 . . . . 33.119999999999997 110.562 -178.186 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -60.75 -45.48 94.16 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 120.888 1.676 . . . . 38.049999999999997 113.191 174.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' MET . . . . . 0.608 ' CE ' HE21 ' A' ' 96' ' ' GLN . 57.6 mtm -59.74 -38.04 80.61 Favored 'General case' 0 CA--C 1.49 -1.342 0 CA-C-O 122.175 0.988 . . . . 56.289999999999999 112.214 176.33 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . 0.266 50.9 tt0 -73.43 -30.64 63.35 Favored 'General case' 0 N--CA 1.414 -2.252 0 C-N-CA 116.855 -1.938 . . . . 53.270000000000003 108.891 -174.634 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.41 -43.43 56.38 Favored 'General case' 0 N--CA 1.409 -2.492 0 N-CA-C 107.417 -1.327 . . . . 27.129999999999999 107.417 -178.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 103' ' ' LEU . 56.9 mt -61.3 -44.26 97.5 Favored 'General case' 0 C--O 1.262 1.736 0 N-CA-C 108.313 -0.995 . . . . 28.010000000000002 108.313 -178.776 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -62.37 -37.36 85.42 Favored 'General case' 0 CA--C 1.478 -1.795 0 C-N-CA 118.19 -1.404 . . . . 40.710000000000001 113.663 178.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.2 tp -73.32 -35.75 66.11 Favored 'General case' 0 C--O 1.207 -1.146 0 O-C-N 125.13 1.519 . . . . 38.659999999999997 108.696 -172.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.58 HD13 HD13 ' B' ' 76' ' ' ILE . 3.2 tp -64.62 -46.77 81.19 Favored 'General case' 0 N--CA 1.399 -3.006 0 CA-C-O 115.864 -2.017 . . . . 32.780000000000001 112.644 175.539 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.408 ' O ' ' HG2' ' A' ' 111' ' ' GLN . 22.7 mt -58.39 -38.09 76.63 Favored 'General case' 0 C--N 1.372 1.556 0 CA-C-N 121.733 2.06 . . . . 31.140000000000001 112.301 171.17 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -71.37 -41.68 69.38 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.924 -1.139 . . . . 71.560000000000002 107.924 -175.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.8 t -66.35 -44.17 91.02 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.292 0 C-N-CA 118.332 -1.347 . . . . 35.869999999999997 112.496 179.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -58.59 -39.19 79.66 Favored 'General case' 0 C--O 1.193 -1.903 0 O-C-N 120.424 -1.422 . . . . 48.409999999999997 109.214 171.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.958 ' OE1' ' NH1' ' A' ' 114' ' ' ARG . 16.6 mm-40 -62.29 -34.44 76.58 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 117.702 -3.124 . . . . 61.799999999999997 114.385 172.589 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -71.65 -40.21 69.82 Favored 'General case' 0 N--CA 1.409 -2.486 0 CA-C-O 121.656 0.741 . . . . 61.420000000000002 110.487 -174.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.578 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 47.5 mt -61.89 -27.79 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.249 0 O-C-N 120.839 -1.163 . . . . 45.759999999999998 112.923 172.215 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.958 ' NH1' ' OE1' ' A' ' 111' ' ' GLN . 21.0 ttp180 -76.13 -23.7 54.86 Favored 'General case' 0 N--CA 1.421 -1.887 0 N-CA-C 105.988 -1.856 . . . . 59.420000000000002 105.988 -176.08 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.12 -13.95 14.6 Favored 'General case' 0 CA--C 1.486 -1.502 0 O-C-N 121.19 -0.944 . . . . 60.530000000000001 113.032 -161.21 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 25.0 t80 . . . . . 0 C--O 1.271 2.195 0 C-N-CA 127.002 2.121 . . . . 83.879999999999995 110.88 168.468 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 CA-C-O 121.878 0.71 . . . . 101.12 113.741 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -57.64 -3.91 0.23 Allowed 'General case' 0 CA--C 1.593 2.614 0 C-N-CA 128.487 2.715 . . . . 111.88 117.53 168.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' TRP . . . . . . . . . . . . . 34.0 p-90 -74.72 -42.54 58.14 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-O 121.83 0.824 . . . . 92.659999999999997 110.29 177.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.88 -30.95 71.21 Favored 'General case' 0 N--CA 1.427 -1.593 0 CA-C-O 123.959 1.838 . . . . 89.510000000000005 112.028 178.819 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -88.97 -29.9 19.19 Favored 'General case' 0 N--CA 1.38 -3.964 0 CA-C-N 112.19 -2.277 . . . . 76.719999999999999 109.204 -174.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.38 -35.37 54.46 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 116.393 -2.123 . . . . 81.459999999999994 109.481 178.362 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 tp -68.9 -48.87 62.27 Favored 'General case' 0 N--CA 1.401 -2.902 0 CA-C-N 114.982 -1.008 . . . . 48.039999999999999 109.924 -175.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -51.73 -36.84 41.55 Favored Glycine 0 N--CA 1.421 -2.326 0 CA-C-O 117.977 -1.457 . . . . 45.759999999999998 114.885 169.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -66.71 -30.05 70.2 Favored 'General case' 0 C--O 1.253 1.276 0 CA-C-N 122.243 3.021 . . . . 85.219999999999999 111.547 175.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -68.65 -44.06 74.95 Favored 'General case' 0 N--CA 1.425 -1.678 0 N-CA-C 104.709 -2.33 . . . . 60.829999999999998 104.709 -172.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -65.53 -40.66 93.18 Favored 'General case' 0 C--O 1.171 -3.077 0 N-CA-C 116.32 1.971 . . . . 56.509999999999998 116.32 176.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -50.01 -51.49 41.51 Favored 'General case' 0 CA--C 1.48 -1.712 0 CA-C-N 119.963 1.256 . . . . 41.859999999999999 112.496 161.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.524 ' O ' HD22 ' B' ' 79' ' ' LEU . 32.5 tp10 -65.35 -38.75 91.03 Favored 'General case' 0 N--CA 1.412 -2.356 0 C-N-CA 118.153 -1.419 . . . . 41.25 113.191 -177.556 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' ILE . . . . . 0.58 HD13 HD13 ' A' ' 106' ' ' LEU . 58.8 mt -67.55 -45.89 84.24 Favored 'Isoleucine or valine' 0 C--O 1.29 3.187 0 N-CA-C 104.837 -2.282 . . . . 28.460000000000001 104.837 -173.77 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' ARG . . . . . . . . . . . . . 28.1 ttp-105 -58.4 -52.21 66.58 Favored 'General case' 0 C--O 1.185 -2.318 0 CA-C-N 114.525 -1.216 . . . . 35.68 112.571 -179.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' TRP . . . . . 0.442 ' O ' ' HG3' ' B' ' 82' ' ' GLU . 55.7 t-105 -52.71 -45.88 67.11 Favored 'General case' 0 C--O 1.278 2.593 0 O-C-N 121.674 -0.641 . . . . 39.009999999999998 112.637 173.395 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.524 HD22 ' O ' ' B' ' 75' ' ' GLU . 0.1 OUTLIER -67.28 -40.91 86.19 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 116.143 -2.223 . . . . 28.41 106.731 -175.641 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.541 HD11 HD11 ' A' ' 80' ' ' ILE . 19.8 mt -56.86 -36.86 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.11 0 N-CA-C 115.332 1.604 . . . . 39.229999999999997 115.332 175.073 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . 0.29 0.0 OUTLIER -69.31 -37.43 77.77 Favored 'General case' 0 N--CA 1.415 -2.224 0 CA-C-N 113.778 -1.555 . . . . 57.509999999999998 112.451 178.81 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' B' ' 78' ' ' TRP . 41.3 mt-10 -68.51 -40.0 81.03 Favored 'General case' 0 C--O 1.167 -3.274 0 C-N-CA 117.335 -1.746 . . . . 43.420000000000002 112.107 176.42 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.496 HG23 ' CG2' ' A' ' 98' ' ' THR . 0.9 OUTLIER -67.94 -43.08 86.01 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.029 0 N-CA-C 107.654 -1.239 . . . . 37.780000000000001 107.654 179.159 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' ARG . . . . . . . . . . . . . 52.7 tpt85 -57.45 -39.0 75.36 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 119.434 -2.041 . . . . 34.93 112.579 174.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -59.14 -27.07 65.28 Favored 'General case' 0 C--O 1.197 -1.672 0 O-C-N 120.37 -1.456 . . . . 45.229999999999997 113.44 -177.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -88.34 -11.1 47.27 Favored 'General case' 1 C--O 1.151 -4.122 0 CA-C-O 115.919 -1.991 . . . . 48.130000000000003 112.037 -176.711 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' LEU . . . . . . . . . . . . . 51.7 mt -90.28 151.27 21.58 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-N 121.92 2.145 . . . . 48.619999999999997 109.675 -179.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -116.66 111.14 19.41 Favored 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 102.544 -3.132 . . . . 85.109999999999999 102.544 169.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -147.14 163.43 7.62 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 N-CA-C 105.653 -1.981 . . . . 52.450000000000003 105.653 -173.844 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' THR . . . . . . . . . . . . . 8.6 p -102.12 165.83 10.94 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 118.907 -1.117 . . . . 50.670000000000002 109.557 -166.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -77.23 -14.0 59.84 Favored 'General case' 0 CA--C 1.432 -3.581 0 O-C-N 120.876 -1.14 . . . . 75.109999999999999 108.783 -161.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -113.33 9.52 18.27 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 117.787 -1.565 . . . . 72.629999999999995 114.932 176.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 47.0 p -60.18 149.22 33.59 Favored 'General case' 0 CA--C 1.569 1.682 0 CA-C-O 122.83 1.3 . . . . 41.130000000000003 111.707 168.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -54.92 -41.06 70.54 Favored 'General case' 0 N--CA 1.415 -2.192 0 CA-C-O 126.325 2.964 . . . . 38.840000000000003 111.59 172.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' GLU . . . . . 0.441 ' OE2' ' HB ' ' A' ' 83' ' ' VAL . 2.7 tp10 -51.49 -48.62 62.84 Favored 'General case' 0 C--N 1.287 -2.134 0 O-C-N 120.066 -1.646 . . . . 72.180000000000007 114.928 175.404 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -69.64 -43.68 72.16 Favored 'General case' 0 CA--C 1.482 -1.657 0 C-N-CA 124.845 1.258 . . . . 47.200000000000003 108.435 -175.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' ILE . . . . . . . . . . . . . 12.7 mt -59.5 -45.73 93.55 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 O-C-N 124.317 1.01 . . . . 39.380000000000003 109.548 178.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' THR . . . . . 0.478 ' HB ' HG12 ' A' ' 83' ' ' VAL . 52.2 m -69.75 -46.16 66.49 Favored 'General case' 0 C--O 1.21 -0.982 0 N-CA-C 106.788 -1.56 . . . . 35.259999999999998 106.788 -174.328 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -51.96 -37.17 51.98 Favored 'General case' 0 C--O 1.193 -1.898 0 CA-C-N 120.257 1.389 . . . . 39.880000000000003 112.613 170.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' MET . . . . . 1.413 ' CE ' ' SD ' ' B' ' 100' ' ' MET . 68.3 mtm -85.47 -32.42 22.27 Favored 'General case' 0 C--O 1.181 -2.503 0 C-N-CA 116.236 -2.185 . . . . 55.770000000000003 109.801 -171.39 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -55.57 -43.9 76.37 Favored 'General case' 0 CA--C 1.583 2.248 0 CA-C-N 121.551 1.978 . . . . 54.219999999999999 112.751 168.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.32 -45.92 85.78 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 105.625 -1.991 . . . . 24.48 105.625 -176.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 16.3 mt -70.36 -43.68 69.67 Favored 'General case' 0 C--O 1.25 1.088 0 N-CA-C 106.835 -1.542 . . . . 26.719999999999999 106.835 -174.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -53.79 -46.3 70.98 Favored 'General case' 0 CA--C 1.472 -2.057 0 CA-C-O 115.902 -1.999 . . . . 45.619999999999997 115.782 170.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.32 -41.42 85.34 Favored 'General case' 0 C--O 1.184 -2.351 0 CA-C-N 119.832 1.196 . . . . 43.020000000000003 110.399 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 17.9 mt -59.74 -36.95 77.63 Favored 'General case' 0 C--O 1.167 -3.265 0 CA-C-O 113.426 -3.178 . . . . 34.93 113.358 176.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 9.9 mt -73.94 -40.39 63.11 Favored 'General case' 0 C--O 1.17 -3.116 0 CA-C-N 122.721 2.51 . . . . 29.940000000000001 108.004 -178.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -60.48 -48.73 80.49 Favored 'General case' 0 CA--C 1.578 2.029 0 CA-C-N 121.191 1.814 . . . . 58.869999999999997 114.618 172.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 64.5 t -52.96 -39.39 32.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 O-C-N 119.32 -2.112 . . . . 32.490000000000002 114.275 169.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -72.46 -24.62 61.22 Favored 'General case' 0 C--N 1.345 0.397 0 CA-C-O 124.491 2.091 . . . . 46.740000000000002 108.198 -174.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' GLN . . . . . 0.618 ' HG2' HH11 ' B' ' 114' ' ' ARG . 2.9 mt-30 -83.81 -35.52 24.2 Favored 'General case' 0 N--CA 1.383 -3.798 0 N-CA-C 117.546 2.425 . . . . 68.469999999999999 117.546 175.709 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' B' ' 113' ' ' ILE . 13.2 mt-10 -57.49 -45.07 85.32 Favored 'General case' 0 N--CA 1.407 -2.598 0 N-CA-C 112.858 0.688 . . . . 67.069999999999993 112.858 162.159 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' B' ' 112' ' ' GLU . 0.9 OUTLIER -56.7 -42.45 76.99 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.393 0 O-C-N 116.646 -3.784 . . . . 51.170000000000002 110.39 177.477 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' ARG . . . . . 0.618 HH11 ' HG2' ' B' ' 111' ' ' GLN . 8.9 ttp-105 -67.13 -45.07 78.23 Favored 'General case' 0 C--O 1.174 -2.913 0 N-CA-C 108.114 -1.069 . . . . 52.509999999999998 108.114 -170.15 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' THR . . . . . 0.844 ' O ' ' C ' ' B' ' 116' ' ' PHE . 15.4 p -80.74 -76.61 0.23 Allowed 'General case' 0 N--CA 1.41 -2.425 0 N-CA-C 104.93 -2.248 . . . . 63.719999999999999 104.93 -177.533 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' PHE . . . . . 0.844 ' C ' ' O ' ' B' ' 115' ' ' THR 0.26 41.9 t80 . . . . . 0 CA--C 1.562 1.424 2 O-C-N 114.477 -5.139 . . . . 76.329999999999998 118.147 177.277 . . . . . . . . 3 2 . 1 stop_ save_