data_6jdj_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 6jdj _Structure_validation_residue.Date_analyzed 2019-05-10 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.989 0 N-CA-C 109.074 -0.713 . . . . 90.27 109.074 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . . . -58.83 -37.44 76.45 Favored 'General case' 0 C--O 1.199 -1.572 0 N-CA-C 114.261 1.208 . . . . 94.59 114.261 -176.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -104.51 126.43 51.59 Favored 'General case' 0 C--O 1.194 -1.818 0 C-N-CA 119.644 -0.822 . . . . 88.31 112.612 -179.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -90.96 122.95 34.07 Favored 'General case' 0 C--O 1.178 -2.675 0 N-CA-C 106.171 -1.788 . . . . 53.39 106.171 178.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.6 mm -76.57 -26.17 16.5 Favored 'Isoleucine or valine' 1 C--O 1.15 -4.18 0 O-C-N 122.053 -0.404 . . . . 32.12 110.65 -176.794 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -52.16 -34.51 45.2 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 112.854 0.687 . . . . 29.97 112.854 176.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -76.46 -11.19 59.84 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 113.211 0.819 . . . . 37.91 113.211 -175.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -73.39 -16.95 61.32 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 118.841 0.746 . . . . 49.41 112.702 166.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' TYR . . . . . 0.439 ' OH ' ' O ' ' B' ' 78' ' ' ASP . 44.1 m-85 -88.84 156.05 49.91 Favored Pre-proline 0 C--N 1.343 0.307 0 C-N-CA 123.769 0.828 . . . . 25.62 111.05 179.523 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -66.2 160.9 42.73 Favored 'Trans proline' 0 C--N 1.33 -0.446 0 CA-C-O 122.039 0.766 . . . . 26.49 110.685 169.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.9 m -65.41 -41.28 93.78 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 114.934 -1.03 . . . . 25.14 112.125 -170.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.3 mt -123.36 125.01 71.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 109.027 -0.731 . . . . 28.85 109.027 -174.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.5 mt -114.79 120.69 65.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 107.446 -1.316 . . . . 23.77 107.446 174.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -95.21 139.18 31.9 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.414 -0.958 . . . . 29.61 108.414 175.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.7 160.65 24.1 Favored Glycine 0 CA--C 1.502 -0.774 0 CA-C-O 122.772 1.207 . . . . 24.98 112.833 -169.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -144.08 171.34 14.4 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 106.043 -1.836 . . . . 43.96 106.043 -179.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -146.44 145.83 30.36 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.499 -0.926 . . . . 39.15 108.499 176.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ARG . . . . . 0.4 ' NH1' ' OD1' ' B' ' 107' ' ' ASP . 10.6 mtp180 -60.14 127.73 33.27 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.643 -0.708 . . . . 50.2 109.674 178.889 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.83 17.16 75.69 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 118.555 -1.783 . . . . 54.94 114.679 176.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -126.29 142.71 51.42 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 118.511 1.155 . . . . 63.07 110.602 -176.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . . . -89.23 -28.96 19.6 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 114.953 -1.021 . . . . 52.78 111.874 174.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASP . . . . . 0.478 ' OD2' ' NH1' ' A' ' 37' ' ' ARG . 41.8 m-20 -74.58 153.67 38.92 Favored 'General case' 0 C--O 1.177 -2.716 0 C-N-CA 122.888 0.475 . . . . 61.95 111.94 178.582 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . 0.593 ' OE2' ' NH2' ' C' ' 74' ' ' ARG . 32.1 mt-10 -116.0 179.46 3.98 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.555 -0.906 . . . . 44.28 108.555 178.174 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -145.07 165.55 27.91 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.111 -1.035 . . . . 32.09 109.232 -172.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.9 p -148.86 143.86 18.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.56 0.695 . . . . 26.12 109.519 179.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.0 t -121.44 125.96 74.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 N-CA-C 107.672 -1.233 . . . . 23.84 107.672 171.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -104.0 121.18 42.61 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 106.955 -1.498 . . . . 28.99 106.955 172.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.3 p -105.82 3.37 28.64 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 113.701 1.0 . . . . 27.41 113.701 -172.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.8 mmt-85 -105.59 169.27 8.57 Favored 'General case' 1 C--O 1.135 -4.933 0 N-CA-C 107.671 -1.233 . . . . 38.95 107.671 170.983 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -61.77 138.66 95.42 Favored Pre-proline 0 C--O 1.159 -3.709 0 O-C-N 119.602 -1.937 . . . . 51.19 115.542 -179.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.34 127.98 13.27 Favored 'Cis proline' 0 C--O 1.16 -3.391 0 C-N-CA 131.834 2.014 . . . . 33.19 110.23 -23.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -75.62 141.64 42.8 Favored 'General case' 0 C--O 1.17 -3.081 0 C-N-CA 123.621 0.769 . . . . 34.12 111.87 -178.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -161.43 163.5 30.44 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 117.656 -1.618 . . . . 24.08 110.873 179.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 31.1 tp -107.44 142.46 37.25 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 107.115 -1.439 . . . . 28.23 107.115 166.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.32 159.38 44.33 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 119.42 -0.912 . . . . 29.24 110.485 177.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ARG . . . . . 0.478 ' NH1' ' OD2' ' A' ' 23' ' ' ASP . 43.9 ttm-85 -94.44 142.23 27.67 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 114.7 -1.136 . . . . 37.68 110.36 173.63 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -116.77 119.64 36.08 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 125.418 1.487 . . . . 45.56 107.842 -173.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 87.3 p -136.53 168.79 18.8 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 109.795 -0.446 . . . . 39.67 109.795 178.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -133.37 128.2 35.12 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.848 1.055 . . . . 43.18 113.848 -165.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -54.57 179.06 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 117.725 2.491 . . . . 68.44 117.725 161.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -86.32 -30.14 22.47 Favored 'General case' 0 C--O 1.195 -1.812 0 N-CA-C 103.257 -2.868 . . . . 86.1 103.257 170.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -63.03 -5.02 2.6 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 115.046 1.499 . . . . 87.83 115.046 174.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -83.29 114.05 21.13 Favored 'General case' 0 CA--C 1.501 -0.91 0 N-CA-C 114.586 1.328 . . . . 76.34 114.586 -175.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.8 p -104.15 -39.21 6.61 Favored 'General case' 0 C--O 1.205 -1.253 0 CA-C-N 114.117 -1.402 . . . . 78.93 112.107 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.52 -4.24 63.95 Favored Glycine 0 N--CA 1.439 -1.103 0 CA-C-N 115.57 -0.741 . . . . 77.63 112.41 -177.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -71.35 140.36 50.19 Favored 'General case' 0 C--O 1.192 -1.936 0 C-N-CA 122.459 0.304 . . . . 107.65 110.94 -179.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.4 mmm -72.29 135.89 81.82 Favored Pre-proline 0 C--O 1.194 -1.863 0 C-N-CA 120.864 -0.335 . . . . 91.49 110.944 -179.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -72.53 149.41 49.65 Favored 'Trans proline' 0 C--O 1.208 -1.023 0 C-N-CA 124.877 3.718 . . . . 90.83 113.29 -178.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.47 -52.75 23.71 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.902 -0.719 . . . . 83.27 110.648 179.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -89.37 157.18 47.79 Favored Pre-proline 0 C--O 1.207 -1.147 0 C-N-CA 125.842 1.657 . . . . 105.63 113.963 178.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -54.68 144.08 66.42 Favored 'Trans proline' 0 C--N 1.325 -0.664 0 C-N-CA 115.912 -2.259 . . . . 66.31 113.552 179.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 91.3 t -55.29 138.67 15.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 CA-C-N 115.112 -0.949 . . . . 62.46 110.291 177.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -152.74 85.41 1.24 Allowed 'General case' 0 C--N 1.345 0.377 0 N-CA-C 107.446 -1.316 . . . . 70.4 107.446 -173.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -91.99 -169.23 40.97 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.632 -0.713 . . . . 53.2 111.346 -179.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -139.73 138.87 36.31 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.371 -0.414 . . . . 86.79 110.41 -176.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 mt -91.33 151.65 20.78 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.027 0.931 . . . . 38.92 110.312 172.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.91 173.99 40.01 Favored Glycine 0 C--O 1.18 -3.244 0 N-CA-C 115.68 1.032 . . . . 33.6 115.68 179.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -110.94 123.09 49.48 Favored 'General case' 0 C--O 1.165 -3.362 0 C-N-CA 124.77 1.228 . . . . 49.31 108.607 176.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.2 tt -141.47 163.01 20.84 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.416 0 C-N-CA 123.805 0.842 . . . . 57.6 109.105 -177.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.58 158.55 20.56 Favored Glycine 0 C--O 1.197 -2.194 1 N-CA-C 124.596 4.598 . . . . 71.86 124.596 176.316 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLU . . . . . 1.055 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . . . -58.5 -49.26 94.49 Favored Pre-proline 0 CA--C 1.479 -1.77 0 C-N-CA 127.068 2.147 . . . . 90.68 112.27 -172.763 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' PRO . . . . . 1.055 ' CD ' ' CB ' ' A' ' 62' ' ' GLU . 38.7 Cg_exo -101.51 134.27 0.15 Allowed 'Trans proline' 0 N--CA 1.451 -1.028 2 C-N-CA 140.781 14.321 . . . . 93.44 97.079 159.877 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.72 132.06 47.29 Favored 'General case' 0 C--O 1.195 -1.807 0 CA-C-N 113.79 -1.55 . . . . 77.44 113.095 -176.469 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . . . -138.46 150.73 46.74 Favored 'General case' 0 C--O 1.187 -2.204 0 C-N-CA 120.212 -0.595 . . . . 50.63 111.564 177.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.73 143.61 44.04 Favored 'General case' 0 C--O 1.181 -2.503 0 N-CA-C 109.862 -0.422 . . . . 55.14 109.862 177.046 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.66 162.07 39.23 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.37 -0.974 . . . . 37.11 108.37 176.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' TYR . . . . . 0.458 ' OH ' ' OD1' ' A' ' 102' ' ' ASP . 58.8 t80 -135.19 131.68 37.01 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 114.974 -1.012 . . . . 42.03 109.087 -177.141 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -117.75 114.12 22.85 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 106.979 -1.489 . . . . 56.6 106.979 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.1 p -66.97 -18.02 65.19 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 119.489 -0.884 . . . . 54.03 111.863 178.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 63.1 13.7 7.04 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 125.629 1.572 . . . . 81.84 112.33 -170.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.5 mt -122.38 16.59 10.54 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.435 0.694 . . . . 46.2 111.296 168.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.08 -15.01 44.18 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 116.28 1.272 . . . . 44.93 116.28 175.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 tt -93.36 132.04 37.97 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 118.966 1.383 . . . . 42.63 111.11 177.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 48.4 m95 -116.81 139.48 50.55 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 124.14 0.976 . . . . 56.66 109.004 173.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 77.4 mt -111.45 133.55 53.67 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.22 -1.03 . . . . 37.06 108.22 170.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.4 p -147.24 175.94 10.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.476 0.655 . . . . 55.78 110.044 -172.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 52.68 42.8 31.74 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.191 -0.913 . . . . 51.77 112.519 179.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -55.81 136.73 51.04 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.204 0.526 . . . . 36.12 111.256 -177.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.4 mt -128.17 113.34 29.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 107.226 -1.398 . . . . 32.34 107.226 167.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 21.0 mmt -76.18 134.15 39.98 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.43 -0.581 . . . . 36.75 109.43 179.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.8 mt -104.93 -4.17 22.45 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 112.495 0.554 . . . . 39.31 112.495 -175.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.22 140.92 31.37 Favored 'General case' 0 C--O 1.186 -2.267 0 N-CA-C 107.286 -1.375 . . . . 57.94 107.286 177.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . . . -69.06 -44.67 72.14 Favored 'General case' 0 C--O 1.203 -1.373 0 N-CA-C 117.145 2.276 . . . . 77.68 117.145 179.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . . . -73.27 143.29 47.1 Favored 'General case' 0 CA--C 1.48 -1.725 0 C-N-CA 119.74 -0.784 . . . . 81.9 112.682 -175.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -99.33 137.31 20.33 Favored Pre-proline 0 C--O 1.209 -1.033 0 N-CA-C 104.085 -2.561 . . . . 77.15 104.085 177.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -62.38 133.95 45.85 Favored 'Trans proline' 0 C--O 1.198 -1.521 1 C-N-CA 127.512 5.475 . . . . 70.01 120.986 -174.191 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -67.62 -45.1 76.4 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-N 114.064 -1.426 . . . . 85.46 111.566 177.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -115.44 115.93 27.37 Favored 'General case' 0 C--O 1.194 -1.849 0 C-N-CA 119.157 -1.017 . . . . 73.93 111.711 -176.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 41.2 tpp -63.69 -42.83 97.96 Favored 'General case' 0 C--O 1.181 -2.512 0 N-CA-C 115.702 1.741 . . . . 79.99 115.702 -176.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -65.09 -45.69 84.14 Favored 'General case' 0 C--O 1.178 -2.678 0 C-N-CA 119.556 -0.858 . . . . 80.31 112.777 -179.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . . . -61.48 -42.9 99.49 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 120.665 -0.414 . . . . 63.48 110.884 177.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -58.57 -51.97 67.62 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 122.199 -0.313 . . . . 48.43 111.702 178.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.9 mt -57.09 -41.46 78.95 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 120.315 -0.554 . . . . 39.8 112.084 176.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.67 -44.85 97.4 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 119.476 -1.345 . . . . 38.96 112.439 177.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -66.29 -38.73 88.44 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 122.406 -0.467 . . . . 67.48 111.153 -178.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.98 -44.62 96.35 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 120.974 0.416 . . . . 39.28 110.803 176.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -68.63 -37.62 79.87 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.106 -0.638 . . . . 54.17 111.201 -177.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.19 -45.29 93.66 Favored 'General case' 0 C--O 1.243 0.747 0 C-N-CA 120.596 -0.442 . . . . 41.2 111.635 173.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.44 -41.72 94.63 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 120.192 -0.603 . . . . 34.17 111.033 177.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 88.0 m -61.77 -39.28 91.1 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 111.882 0.327 . . . . 46.46 111.882 176.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ASP . . . . . 0.458 ' OD1' ' OH ' ' A' ' 68' ' ' TYR . 80.1 m-20 -61.36 -45.44 94.37 Favored 'General case' 0 C--O 1.243 0.716 0 C-N-CA 119.975 -0.69 . . . . 39.55 111.261 177.244 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ARG . . . . . 0.582 ' NH1' ' O ' ' A' ' 202' ' ' HOH . 14.9 mtt85 -59.54 -41.38 89.92 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 120.085 -0.646 . . . . 63.14 111.325 176.249 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 71.2 mt -62.59 -39.78 85.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 C-N-CA 120.331 -0.547 . . . . 33.78 110.441 179.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.05 -44.57 88.59 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.277 -0.569 . . . . 39.83 111.23 179.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.71 98.8 Favored 'General case' 0 C--O 1.245 0.842 0 C-N-CA 119.111 -1.036 . . . . 39.24 111.539 178.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.14 -38.04 89.36 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 120.185 -0.606 . . . . 43.11 111.694 179.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -67.39 -31.03 70.98 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.096 -0.641 . . . . 45.31 109.906 176.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.8 mp -62.87 -39.28 93.94 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 120.279 -0.568 . . . . 58.63 110.667 175.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.9 mtp -73.42 -33.98 65.23 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 119.053 -1.059 . . . . 64.67 111.523 179.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.5 tp -63.73 -39.51 94.47 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-O 121.488 0.661 . . . . 49.68 110.676 175.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -76.31 -28.18 56.86 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.203 -0.453 . . . . 67.2 110.155 179.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -55.93 -42.55 76.31 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 110.092 -0.336 . . . . 82.86 110.092 167.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -74.38 -28.17 60.98 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 112.315 0.487 . . . . 69.24 112.315 -176.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -78.26 -38.22 43.25 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 117.311 -1.756 . . . . 76.41 111.728 172.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.49 -20.73 60.61 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 112.577 0.584 . . . . 79.38 112.577 -179.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -75.55 -4.97 42.89 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 117.078 -1.849 . . . . 74.86 112.831 -175.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.8 mt -87.46 15.49 6.52 Favored 'General case' 0 CA--C 1.506 -0.719 0 C-N-CA 116.432 -2.107 . . . . 70.94 112.348 171.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -113.47 -5.48 13.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 121.0 -1.062 . . . . 97.29 113.504 175.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.319 0 N-CA-C 115.897 1.119 . . . . 89.36 115.897 172.239 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.6 tpt . . . . . 0 CA--C 1.519 -0.25 0 CA-C-O 120.925 0.393 . . . . 112.7 110.322 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.0 t -75.78 139.08 41.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 83.24 110.063 173.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -53.64 -44.22 69.4 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.848 -0.615 . . . . 65.79 111.62 -175.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -59.11 -40.83 86.57 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 120.63 -0.428 . . . . 64.43 111.942 177.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -69.51 -26.56 64.6 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 119.507 -0.877 . . . . 76.23 111.518 -177.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 19.9 mt -81.09 -34.34 13.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 C-N-CA 119.582 -0.847 . . . . 54.28 110.867 174.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -55.82 -36.22 67.22 Favored 'General case' 0 C--O 1.238 0.484 0 O-C-N 121.743 -0.598 . . . . 36.09 111.325 171.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -76.32 -11.47 59.91 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.879 0.696 . . . . 59.34 112.879 -177.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -71.81 -18.72 62.07 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.6 0.593 . . . . 58.76 112.6 166.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -89.38 155.45 48.82 Favored Pre-proline 0 C--O 1.233 0.236 0 C-N-CA 123.173 0.589 . . . . 33.49 110.848 179.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -66.3 160.16 46.55 Favored 'Trans proline' 0 C--N 1.329 -0.448 0 CA-C-O 122.081 0.784 . . . . 29.59 110.671 170.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 52.7 m -65.55 -40.69 93.14 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 114.938 -1.028 . . . . 39.36 111.535 -171.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 54.6 mt -123.05 123.96 69.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 N-CA-C 107.905 -1.146 . . . . 31.04 107.905 -175.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.6 mt -114.96 120.48 64.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 N-CA-C 107.387 -1.338 . . . . 27.54 107.387 174.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -95.41 138.84 32.54 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.553 -0.906 . . . . 32.15 108.553 176.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -134.07 162.38 24.49 Favored Glycine 0 N--CA 1.439 -1.116 0 CA-C-O 121.943 0.746 . . . . 21.24 111.601 -168.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -144.68 167.72 21.88 Favored 'General case' 0 C--O 1.163 -3.452 0 C-N-CA 124.694 1.198 . . . . 50.17 110.519 178.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.93 139.47 27.61 Favored 'General case' 0 C--N 1.313 -1.004 0 O-C-N 121.086 -1.009 . . . . 30.2 109.023 175.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 26.4 mtp-105 -64.5 132.75 50.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.593 -0.73 . . . . 57.88 109.093 176.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.77 14.43 67.64 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-O 119.133 -0.815 . . . . 46.68 114.812 -178.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -129.61 143.47 50.84 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 118.278 1.039 . . . . 56.1 109.311 179.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ASN . . . . . 0.437 ' ND2' ' OD1' ' C' ' 56' ' ' ASP . 24.8 m-20 -89.06 -29.71 19.22 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.972 -0.558 . . . . 33.53 110.525 172.876 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -76.27 159.99 30.08 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-O 122.239 1.019 . . . . 35.35 109.988 177.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -115.68 -177.86 3.25 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 125.08 1.352 . . . . 41.02 108.048 178.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -144.6 164.68 30.21 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.292 -0.633 . . . . 31.26 109.292 -172.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 4.6 p -149.16 144.22 18.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-O 121.421 0.629 . . . . 44.95 109.45 -179.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 32.5 t -121.8 125.97 73.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 107.804 -1.184 . . . . 26.15 107.804 172.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -103.87 120.02 40.14 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 106.557 -1.646 . . . . 33.66 106.557 172.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 58.5 p -105.93 8.27 32.47 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 113.946 1.091 . . . . 31.13 113.946 -172.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 78.7 mmt-85 -114.04 170.45 8.27 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.569 -1.271 . . . . 51.46 107.569 168.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -63.94 143.44 98.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 C-N-CA 119.562 -0.855 . . . . 39.89 110.84 -178.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -67.63 132.31 18.53 Favored 'Cis proline' 0 CA--C 1.531 0.368 0 C-N-CA 125.403 -0.665 . . . . 36.82 111.658 -24.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -85.02 141.53 30.23 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 118.274 0.488 . . . . 43.32 110.425 -177.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -162.56 162.54 27.31 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 117.5 -1.68 . . . . 27.25 111.722 -179.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 35.3 tp -107.13 142.56 36.61 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 106.662 -1.607 . . . . 26.32 106.662 166.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.79 159.61 44.22 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 119.532 -0.867 . . . . 29.24 110.085 177.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 45.5 ttm-85 -94.54 138.73 32.08 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.706 -1.134 . . . . 28.99 109.388 171.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -117.03 119.85 36.56 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 106.693 -1.595 . . . . 34.88 106.693 -174.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 93.9 p -136.97 170.35 16.26 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.224 0.535 . . . . 37.3 110.277 -178.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -133.26 127.6 34.02 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 113.114 0.783 . . . . 39.33 113.114 -166.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -53.73 167.76 0.23 Allowed 'General case' 0 C--O 1.236 0.343 0 N-CA-C 116.813 2.153 . . . . 62.23 116.813 162.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -71.84 -25.03 61.8 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.348 -0.842 . . . . 73.77 111.935 159.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -65.54 -2.32 3.32 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 116.151 1.908 . . . . 76.81 116.151 171.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -84.12 114.98 22.15 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 118.704 0.684 . . . . 48.63 111.523 -169.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 19.5 p -93.36 -57.12 2.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.073 -0.512 . . . . 65.64 110.946 177.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.86 -7.5 27.6 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 123.712 0.672 . . . . 51.83 112.741 -176.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -73.5 144.32 46.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 117.306 0.553 . . . . 89.12 109.95 177.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -76.8 133.97 69.33 Favored Pre-proline 0 C--O 1.196 -1.749 0 N-CA-C 109.038 -0.727 . . . . 101.63 109.038 177.225 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -72.65 148.67 47.61 Favored 'Trans proline' 0 CA--C 1.497 -1.35 1 C-N-CA 126.954 5.103 . . . . 76.99 111.348 -178.826 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.97 -46.26 85.44 Favored 'General case' 0 CA--C 1.466 -2.25 0 CA-C-O 121.756 0.789 . . . . 80.95 109.999 -178.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -91.91 162.39 30.99 Favored Pre-proline 0 N--CA 1.425 -1.688 0 CA-C-N 114.71 -1.132 . . . . 81.61 108.495 178.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -64.44 148.5 90.74 Favored 'Trans proline' 0 CA--C 1.494 -1.52 0 C-N-CA 120.735 0.957 . . . . 63.2 111.225 179.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -62.21 142.11 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.654 0 CA-C-O 123.485 1.612 . . . . 58.5 111.889 179.903 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -148.3 87.2 1.58 Allowed 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 113.678 -1.601 . . . . 60.84 106.742 -172.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . -90.37 -169.74 43.3 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-O 122.502 1.057 . . . . 43.16 113.766 -175.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -140.87 139.39 34.4 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.606 -0.797 . . . . 76.47 109.8 -174.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 25.0 mt -90.35 151.56 21.41 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.326 -0.99 . . . . 46.48 108.326 170.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.64 -179.17 39.16 Favored Glycine 0 CA--C 1.506 -0.496 0 C-N-CA 117.62 -2.228 . . . . 38.77 112.182 178.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -105.23 135.64 46.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.348 -0.926 . . . . 54.49 109.989 176.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 7.6 tt -149.99 151.61 12.56 Favored 'Isoleucine or valine' 0 C--O 1.173 -2.94 0 N-CA-C 109.032 -0.729 . . . . 40.76 109.032 -179.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.82 168.42 14.84 Favored Glycine 0 C--O 1.19 -2.607 1 N-CA-C 124.514 4.566 . . . . 54.85 124.514 174.254 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' GLU . . . . . 1.298 ' CB ' ' CD ' ' B' ' 63' ' ' PRO . . . -56.09 -52.47 72.48 Favored Pre-proline 0 CA--C 1.469 -2.167 0 C-N-CA 125.187 1.395 . . . . 79.81 109.113 -174.506 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' PRO . . . . . 1.298 ' CD ' ' CB ' ' B' ' 62' ' ' GLU . 9.7 Cg_endo -113.15 122.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.311 -1.432 2 C-N-CA 140.418 14.079 . . . . 83.07 96.617 169.686 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 14.5 mtt85 -67.96 132.37 47.19 Favored 'General case' 0 C--O 1.184 -2.371 0 N-CA-C 116.277 1.954 . . . . 80.43 116.277 -175.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -131.35 159.02 39.16 Favored 'General case' 0 C--O 1.178 -2.699 0 N-CA-C 108.392 -0.966 . . . . 47.77 108.392 178.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 18.7 tp -74.67 141.58 44.57 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.416 0.627 . . . . 33.63 109.617 179.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.58 167.85 23.48 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.525 -0.917 . . . . 33.69 108.525 179.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' TYR . . . . . 0.499 ' OH ' ' OD1' ' B' ' 102' ' ' ASP . 53.4 t80 -131.31 131.79 44.05 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.482 -0.781 . . . . 34.55 109.094 -176.962 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -117.92 114.36 23.1 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 106.792 -1.559 . . . . 43.8 106.792 -179.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 52.5 p -66.43 -16.16 63.89 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 119.593 -0.843 . . . . 44.35 112.392 179.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 64.15 14.09 8.33 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.094 0.958 . . . . 59.83 111.468 -169.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 40.7 mt -122.44 11.18 9.93 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 112.482 0.549 . . . . 55.94 112.482 171.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.83 -14.69 56.03 Favored Glycine 0 N--CA 1.442 -0.926 0 CA-C-O 119.215 -0.77 . . . . 38.57 114.356 -179.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 10.3 tt -92.96 130.32 38.58 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 118.265 1.032 . . . . 33.81 109.796 178.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -118.54 140.09 50.43 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.259 1.024 . . . . 44.98 110.227 176.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 95.2 mt -114.46 133.25 55.89 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.618 -0.882 . . . . 31.27 108.618 168.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 97.8 p -148.64 177.33 9.59 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.503 0.668 . . . . 33.58 110.006 -173.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' ASP . . . . . 0.439 ' O ' ' OH ' ' A' ' 10' ' ' TYR . 98.6 m-20 53.44 43.03 31.88 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.196 -0.911 . . . . 38.59 112.222 179.126 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -55.38 136.28 49.5 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.952 -0.567 . . . . 29.78 111.003 -177.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 46.2 mt -128.72 113.68 30.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 107.768 -1.197 . . . . 39.39 107.768 167.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 18.7 mmt -76.33 135.02 39.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.077 0.465 . . . . 38.49 110.331 179.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 63.7 mt -106.35 -5.1 19.29 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 113.486 0.921 . . . . 38.18 113.486 -174.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -74.03 163.22 28.16 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 122.13 0.967 . . . . 46.51 111.364 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -80.43 -28.99 37.6 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 114.97 -1.014 . . . . 69.69 112.932 -173.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -123.84 142.19 51.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 118.238 0.472 . . . . 77.57 110.63 -170.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -70.27 153.52 95.15 Favored Pre-proline 0 N--CA 1.448 -0.541 0 CA-C-N 115.902 -0.59 . . . . 66.67 109.688 170.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -71.36 144.96 47.03 Favored 'Trans proline' 0 C--N 1.33 -0.396 0 C-N-CA 120.436 0.758 . . . . 48.96 112.853 -173.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . . . -68.16 -48.91 64.03 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 114.717 -1.129 . . . . 54.81 110.509 172.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -113.55 112.33 23.37 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 123.298 0.639 . . . . 65.73 109.507 -175.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' MET . . . . . 0.406 ' SD ' ' CD1' ' C' ' 19' ' ' ILE . 67.3 mmm -65.3 -39.07 92.04 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.022 -0.535 . . . . 84.81 112.437 -178.044 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -60.79 -46.15 91.62 Favored 'General case' 0 C--O 1.244 0.769 0 C-N-CA 120.1 -0.64 . . . . 83.96 110.51 -179.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -61.41 -44.97 96.22 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.234 0.54 . . . . 73.51 110.168 178.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -58.64 -51.25 70.71 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.186 -0.461 . . . . 45.02 112.115 -179.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 48.5 mt -56.38 -42.16 77.42 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 120.472 -0.491 . . . . 49.1 111.986 176.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.94 -46.29 94.86 Favored Glycine 0 C--N 1.338 0.641 0 C-N-CA 119.148 -1.501 . . . . 36.02 112.492 177.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -65.44 -39.28 91.89 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 122.344 -0.504 . . . . 54.22 111.073 -178.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 55.4 tp -62.75 -45.21 93.77 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 120.83 0.347 . . . . 36.27 111.202 178.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -69.12 -36.74 77.82 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 119.743 -0.783 . . . . 50.04 110.986 -177.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.68 -45.5 91.9 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 120.146 -0.622 . . . . 44.95 111.474 172.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.63 94.99 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.468 -0.493 . . . . 38.9 111.257 178.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' CYS . . . . . . . . . . . . . 89.5 m -62.14 -40.28 95.42 Favored 'General case' 0 C--O 1.239 0.5 0 N-CA-C 111.981 0.363 . . . . 36.73 111.981 177.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' ASP . . . . . 0.499 ' OD1' ' OH ' ' B' ' 68' ' ' TYR . 82.3 m-20 -61.09 -46.05 92.22 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 119.794 -0.763 . . . . 41.46 111.034 177.133 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 96.5 mtm-85 -59.86 -39.86 86.65 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.376 -0.529 . . . . 52.74 111.352 176.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 51.4 mt -63.65 -40.61 89.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 C-N-CA 120.177 -0.609 . . . . 31.87 110.684 179.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.03 -44.96 87.38 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 119.568 -0.853 . . . . 36.3 111.136 179.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.35 -39.08 91.96 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 119.679 -0.809 . . . . 38.68 111.125 177.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' ASP . . . . . 0.4 ' OD1' ' NH1' ' A' ' 19' ' ' ARG . 11.4 t70 -64.37 -36.89 85.6 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 122.203 -0.311 . . . . 43.02 111.283 179.303 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.43 -33.64 73.26 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.07 -0.652 . . . . 48.21 110.665 176.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 76.3 mt -66.05 -42.81 89.02 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 119.924 -0.711 . . . . 51.56 111.624 177.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 31.3 mtm -75.61 -28.13 58.75 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 118.999 -1.08 . . . . 89.24 111.56 -179.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 51.7 tp -61.78 -45.26 94.65 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.341 -0.544 . . . . 53.42 111.334 178.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -93.8 19.63 8.6 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.478 0.918 . . . . 66.53 113.478 179.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 . . . . . 0 N--CA 1.491 1.612 0 C-N-CA 130.292 3.437 . . . . 83.97 109.612 170.884 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.253 0 CA-C-O 121.373 0.606 . . . . 81.02 112.02 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . 0.289 2.5 tt -64.81 -39.4 85.53 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.708 0 N-CA-C 116.401 2.001 . . . . 87.46 116.401 -177.462 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.09 -124.12 25.01 Favored Glycine 0 C--O 1.189 -2.712 0 N-CA-C 116.611 1.404 . . . . 76.24 116.611 -179.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' ILE . . . . . 0.406 ' CD1' ' SD ' ' B' ' 90' ' ' MET . 5.3 tp -54.81 -26.21 16.68 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.303 0 O-C-N 122.283 -0.54 . . . . 52.31 112.226 178.574 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.94 10.81 12.91 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 113.099 0.777 . . . . 45.32 113.099 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 34.6 p -76.79 -3.7 39.66 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 118.6 0.636 . . . . 56.52 112.267 172.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 23.2 m -126.99 157.95 38.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 108.221 -1.029 . . . . 47.74 108.221 170.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.12 153.72 47.06 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 119.87 -1.157 . . . . 35.19 111.098 171.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -128.66 115.38 17.94 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.12 -1.437 . . . . 41.0 107.12 174.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.77 -30.25 45.53 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.075 -0.65 . . . . 50.3 111.638 -173.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' MET . . . . . . . . . . . . . 13.4 mmt -110.2 -12.15 14.5 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 113.933 1.086 . . . . 71.93 113.933 -174.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 21.2 t -103.0 136.85 33.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 108.922 -0.77 . . . . 76.8 108.922 -172.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.359 0 CA-C-N 115.743 -0.662 . . . . 72.13 109.803 178.166 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.201 0 N-CA-C 108.955 -0.757 . . . . 100.52 108.955 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 35' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -93.48 19.55 0.8 Allowed 'Trans proline' 0 C--O 1.194 -1.7 1 C-N-CA 126.574 4.849 . . . . 91.55 112.417 -176.334 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 9.6 tt -59.43 135.02 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.305 0 CA-C-O 121.994 0.902 . . . . 50.27 109.158 177.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -100.35 161.56 13.52 Favored 'General case' 0 C--O 1.181 -2.523 0 N-CA-C 112.798 0.666 . . . . 49.43 112.798 -177.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 82.4 mt -58.07 -32.1 67.72 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.875 -0.33 . . . . 44.45 111.047 176.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 5.8 tt -72.2 -24.31 22.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 N-CA-C 111.624 0.231 . . . . 64.17 111.624 -178.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -74.65 -11.25 60.14 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 112.071 0.397 . . . . 39.55 112.071 169.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 89.4 mt -113.34 13.4 19.04 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 112.888 0.699 . . . . 44.73 112.888 -173.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.72 5.62 87.95 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 115.919 1.128 . . . . 43.53 115.919 178.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 97.5 t -93.89 109.34 21.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 118.7 1.25 . . . . 43.75 107.822 -171.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 49.3 ptt85 -83.87 175.87 9.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.972 0.892 . . . . 59.46 111.627 -171.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 44.3 t -97.37 130.82 45.48 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.357 0 N-CA-C 105.229 -2.138 . . . . 51.83 105.229 178.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -69.99 151.12 45.94 Favored 'General case' 0 C--O 1.2 -1.5 0 CA-C-O 121.86 0.838 . . . . 57.91 110.951 -179.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 47' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' C' ' 47' ' ' GLU . 0.1 OUTLIER -66.16 -39.5 89.83 Favored 'General case' 0 C--O 1.202 -1.399 0 CA-C-N 115.829 -0.623 . . . . 89.31 112.255 178.383 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 48' ' ' ARG . . . . . 0.727 ' NH1' ' O ' ' C' ' 101' ' ' HOH . 0.3 OUTLIER -64.26 141.98 58.58 Favored 'General case' 0 C--O 1.18 -2.577 0 N-CA-C 114.24 1.2 . . . . 55.17 114.24 178.898 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.08 -36.93 66.91 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 122.052 -0.405 . . . . 53.59 111.885 177.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -139.47 155.42 47.58 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 118.311 0.505 . . . . 68.66 110.656 -171.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 51' ' ' VAL . . . . . . . . . . . . . 77.0 t -67.83 133.04 92.26 Favored Pre-proline 0 C--O 1.242 0.709 0 N-CA-C 108.977 -0.749 . . . . 38.56 108.977 175.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -62.95 150.55 88.2 Favored 'Trans proline' 0 C--N 1.331 -0.369 0 CA-C-N 119.113 0.719 . . . . 40.41 111.94 -175.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 53' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -114.15 126.71 55.38 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 114.985 -1.007 . . . . 57.26 108.41 177.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 30.1 m -60.87 125.23 22.95 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.103 -0.499 . . . . 34.05 110.756 -173.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 55' ' ' GLY . . . . . . . . . . . . . . . -72.63 164.96 54.67 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-O 122.292 0.94 . . . . 34.71 112.755 179.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 56' ' ' ASP . . . . . 0.437 ' OD1' ' ND2' ' B' ' 22' ' ' ASN . 89.8 m-20 -64.36 -40.87 96.71 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 114.709 -0.745 . . . . 47.05 112.163 -168.467 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 43.7 t -67.22 -53.87 26.17 Favored 'General case' 0 C--O 1.242 0.699 0 O-C-N 121.952 -0.467 . . . . 43.43 111.301 -172.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 49.4 tp -56.72 -43.11 80.28 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 120.687 0.28 . . . . 35.38 111.239 174.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.29 96.2 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.834 -0.346 . . . . 39.04 111.255 -177.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 11.2 ptt? -72.75 -38.75 67.26 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 120.19 -0.604 . . . . 43.63 111.009 -177.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.18 -49.32 76.34 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 119.415 -0.914 . . . . 39.73 111.167 172.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 62' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -68.24 -31.48 70.99 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 119.835 -0.746 . . . . 37.07 111.539 -177.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 44.5 ttm105 -66.46 -41.37 89.16 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 122.146 -0.347 . . . . 39.33 110.985 177.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 20.2 tp -59.85 -43.82 94.44 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 119.815 -0.754 . . . . 35.66 111.186 173.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.72 -41.73 98.01 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 119.456 -0.897 . . . . 35.11 111.482 179.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -61.07 -43.89 98.2 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.596 -0.442 . . . . 38.03 111.382 176.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 3.6 m -59.81 -43.23 94.61 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 120.448 -0.501 . . . . 41.88 111.174 178.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 80.1 t -62.86 -48.04 89.95 Favored 'Isoleucine or valine' 0 C--O 1.244 0.778 0 CA-C-O 121.175 0.512 . . . . 41.83 110.587 -179.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 69' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -56.27 -46.22 79.77 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 122.012 -0.43 . . . . 46.41 111.048 177.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 70' ' ' ARG . . . . . . . . . . . . . 26.7 ttm105 -60.2 -44.07 95.4 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.94 -0.304 . . . . 59.17 111.581 -179.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 pp -71.52 -31.33 66.93 Favored 'General case' 0 C--O 1.243 0.746 0 C-N-CA 118.764 -1.174 . . . . 65.74 111.494 -175.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 67.0 m -58.76 -52.06 67.32 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 119.771 -0.771 . . . . 67.16 110.754 167.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 39.1 mtm-85 -49.74 -51.87 35.78 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.906 0.384 . . . . 63.38 111.329 177.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 74' ' ' ARG . . . . . 0.593 ' NH2' ' OE2' ' A' ' 24' ' ' GLU . 84.7 mtt180 -81.46 -25.09 36.36 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 113.304 0.853 . . . . 77.54 113.304 -164.815 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 75' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -74.25 -32.99 63.17 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 118.176 -1.409 . . . . 93.04 110.374 168.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.99 -21.57 66.87 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.747 0.647 . . . . 86.22 112.747 178.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 77' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 C-N-CA 122.877 0.471 . . . . 89.19 110.389 176.444 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . 0.582 ' O ' ' NH1' ' A' ' 103' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' HOH . . . . . 0.727 ' O ' ' NH1' ' C' ' 48' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.989 0 N-CA-C 109.074 -0.713 . . . . 90.27 109.074 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . . . -58.83 -37.44 76.45 Favored 'General case' 0 C--O 1.199 -1.572 0 N-CA-C 114.261 1.208 . . . . 94.59 114.261 -176.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -104.51 126.43 51.59 Favored 'General case' 0 C--O 1.194 -1.818 0 C-N-CA 119.644 -0.822 . . . . 88.31 112.612 -179.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -90.96 122.95 34.07 Favored 'General case' 0 C--O 1.178 -2.675 0 N-CA-C 106.171 -1.788 . . . . 53.39 106.171 178.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.6 mm -76.57 -26.17 16.5 Favored 'Isoleucine or valine' 1 C--O 1.15 -4.18 0 O-C-N 122.053 -0.404 . . . . 32.12 110.65 -176.794 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -52.16 -34.51 45.2 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 112.854 0.687 . . . . 29.97 112.854 176.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -76.46 -11.19 59.84 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 113.211 0.819 . . . . 37.91 113.211 -175.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -73.39 -16.95 61.32 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 118.841 0.746 . . . . 49.41 112.702 166.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -88.84 156.05 49.91 Favored Pre-proline 0 C--N 1.343 0.307 0 C-N-CA 123.769 0.828 . . . . 25.62 111.05 179.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -66.2 160.9 42.73 Favored 'Trans proline' 0 C--N 1.33 -0.446 0 CA-C-O 122.039 0.766 . . . . 26.49 110.685 169.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.9 m -65.41 -41.28 93.78 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 114.934 -1.03 . . . . 25.14 112.125 -170.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.3 mt -123.36 125.01 71.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 109.027 -0.731 . . . . 28.85 109.027 -174.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.5 mt -114.79 120.69 65.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 107.446 -1.316 . . . . 23.77 107.446 174.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -95.21 139.18 31.9 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.414 -0.958 . . . . 29.61 108.414 175.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.7 160.65 24.1 Favored Glycine 0 CA--C 1.502 -0.774 0 CA-C-O 122.772 1.207 . . . . 24.98 112.833 -169.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -144.08 171.34 14.4 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 106.043 -1.836 . . . . 43.96 106.043 -179.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . 0.452 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . . . -146.44 145.83 30.36 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.499 -0.926 . . . . 39.15 108.499 176.514 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ARG . . . . . 0.415 ' HG3' HD13 ' B' ' 111' ' ' LEU . 10.6 mtp180 -60.14 127.73 33.27 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.643 -0.708 . . . . 50.2 109.674 178.889 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.83 17.16 75.69 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 118.555 -1.783 . . . . 54.94 114.679 176.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' HG3' ' HB3' ' A' ' 18' ' ' ALA . 28.0 mm-40 -126.29 142.71 51.42 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 118.511 1.155 . . . . 63.07 110.602 -176.195 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . . . -89.23 -28.96 19.6 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 114.953 -1.021 . . . . 52.78 111.874 174.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASP . . . . . 0.467 ' OD2' ' NH1' ' A' ' 37' ' ' ARG . 41.8 m-20 -74.58 153.67 38.92 Favored 'General case' 0 C--O 1.177 -2.716 0 C-N-CA 122.888 0.475 . . . . 61.95 111.94 178.582 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -116.0 179.46 3.98 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.555 -0.906 . . . . 44.28 108.555 178.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -145.07 165.55 27.91 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.111 -1.035 . . . . 32.09 109.232 -172.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.9 p -148.86 143.86 18.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.56 0.695 . . . . 26.12 109.519 179.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.0 t -121.44 125.96 74.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 N-CA-C 107.672 -1.233 . . . . 23.84 107.672 171.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -104.0 121.18 42.61 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 106.955 -1.498 . . . . 28.99 106.955 172.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.3 p -105.82 3.37 28.64 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 113.701 1.0 . . . . 27.41 113.701 -172.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.8 mmt-85 -105.59 169.27 8.57 Favored 'General case' 1 C--O 1.135 -4.933 0 N-CA-C 107.671 -1.233 . . . . 38.95 107.671 170.983 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -61.77 138.66 95.42 Favored Pre-proline 0 C--O 1.159 -3.709 0 O-C-N 119.602 -1.937 . . . . 51.19 115.542 -179.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.34 127.98 13.27 Favored 'Cis proline' 0 C--O 1.16 -3.391 0 C-N-CA 131.834 2.014 . . . . 33.19 110.23 -23.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -75.62 141.64 42.8 Favored 'General case' 0 C--O 1.17 -3.081 0 C-N-CA 123.621 0.769 . . . . 34.12 111.87 -178.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -161.43 163.5 30.44 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 117.656 -1.618 . . . . 24.08 110.873 179.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 31.1 tp -107.44 142.46 37.25 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 107.115 -1.439 . . . . 28.23 107.115 166.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.32 159.38 44.33 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 119.42 -0.912 . . . . 29.24 110.485 177.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ARG . . . . . 0.467 ' NH1' ' OD2' ' A' ' 23' ' ' ASP . 43.9 ttm-85 -94.44 142.23 27.67 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 114.7 -1.136 . . . . 37.68 110.36 173.63 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -116.77 119.64 36.08 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 125.418 1.487 . . . . 45.56 107.842 -173.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 87.3 p -136.53 168.79 18.8 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 109.795 -0.446 . . . . 39.67 109.795 178.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -133.37 128.2 35.12 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.848 1.055 . . . . 43.18 113.848 -165.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ASP . . . . . 0.635 ' HB2' ' HA2' ' A' ' 73' ' ' GLY . 71.7 m-20 -54.57 179.06 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 117.725 2.491 . . . . 68.44 117.725 161.917 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -86.32 -30.14 22.47 Favored 'General case' 0 C--O 1.195 -1.812 0 N-CA-C 103.257 -2.868 . . . . 86.1 103.257 170.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASN . . . . . 0.484 ' H ' ' HB3' ' A' ' 41' ' ' ASP . 97.1 m-20 -63.03 -5.02 2.6 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 115.046 1.499 . . . . 87.83 115.046 174.072 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -83.29 114.05 21.13 Favored 'General case' 0 CA--C 1.501 -0.91 0 N-CA-C 114.586 1.328 . . . . 76.34 114.586 -175.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.8 p -104.15 -39.21 6.61 Favored 'General case' 0 C--O 1.205 -1.253 0 CA-C-N 114.117 -1.402 . . . . 78.93 112.107 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.52 -4.24 63.95 Favored Glycine 0 N--CA 1.439 -1.103 0 CA-C-N 115.57 -0.741 . . . . 77.63 112.41 -177.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -71.35 140.36 50.19 Favored 'General case' 0 C--O 1.192 -1.936 0 C-N-CA 122.459 0.304 . . . . 107.65 110.94 -179.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.4 mmm -72.29 135.89 81.82 Favored Pre-proline 0 C--O 1.194 -1.863 0 C-N-CA 120.864 -0.335 . . . . 91.49 110.944 -179.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PRO . . . . . 0.42 ' HD3' ' CD2' ' A' ' 109' ' ' LEU . 47.9 Cg_endo -72.53 149.41 49.65 Favored 'Trans proline' 0 C--O 1.208 -1.023 0 C-N-CA 124.877 3.718 . . . . 90.83 113.29 -178.819 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.47 -52.75 23.71 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.902 -0.719 . . . . 83.27 110.648 179.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -89.37 157.18 47.79 Favored Pre-proline 0 C--O 1.207 -1.147 0 C-N-CA 125.842 1.657 . . . . 105.63 113.963 178.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -54.68 144.08 66.42 Favored 'Trans proline' 0 C--N 1.325 -0.664 0 C-N-CA 115.912 -2.259 . . . . 66.31 113.552 179.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 91.3 t -55.29 138.67 15.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 CA-C-N 115.112 -0.949 . . . . 62.46 110.291 177.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -152.74 85.41 1.24 Allowed 'General case' 0 C--N 1.345 0.377 0 N-CA-C 107.446 -1.316 . . . . 70.4 107.446 -173.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -91.99 -169.23 40.97 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.632 -0.713 . . . . 53.2 111.346 -179.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -139.73 138.87 36.31 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.371 -0.414 . . . . 86.79 110.41 -176.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 mt -91.33 151.65 20.78 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.027 0.931 . . . . 38.92 110.312 172.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.91 173.99 40.01 Favored Glycine 0 C--O 1.18 -3.244 0 N-CA-C 115.68 1.032 . . . . 33.6 115.68 179.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -110.94 123.09 49.48 Favored 'General case' 0 C--O 1.165 -3.362 0 C-N-CA 124.77 1.228 . . . . 49.31 108.607 176.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.2 tt -141.47 163.01 20.84 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.416 0 C-N-CA 123.805 0.842 . . . . 57.6 109.105 -177.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.58 158.55 20.56 Favored Glycine 0 C--O 1.197 -2.194 1 N-CA-C 124.596 4.598 . . . . 71.86 124.596 176.316 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLU . . . . . 1.24 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . . . -58.5 -49.26 94.49 Favored Pre-proline 0 CA--C 1.479 -1.77 0 C-N-CA 127.068 2.147 . . . . 90.68 112.27 -172.763 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' PRO . . . . . 1.24 ' HD3' ' CB ' ' A' ' 62' ' ' GLU . 38.7 Cg_exo -101.51 134.27 0.15 Allowed 'Trans proline' 0 N--CA 1.451 -1.028 2 C-N-CA 140.781 14.321 . . . . 93.44 97.079 159.877 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.72 132.06 47.29 Favored 'General case' 0 C--O 1.195 -1.807 0 CA-C-N 113.79 -1.55 . . . . 77.44 113.095 -176.469 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . . . -138.46 150.73 46.74 Favored 'General case' 0 C--O 1.187 -2.204 0 C-N-CA 120.212 -0.595 . . . . 50.63 111.564 177.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.73 143.61 44.04 Favored 'General case' 0 C--O 1.181 -2.503 0 N-CA-C 109.862 -0.422 . . . . 55.14 109.862 177.046 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.66 162.07 39.23 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.37 -0.974 . . . . 37.11 108.37 176.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -135.19 131.68 37.01 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 114.974 -1.012 . . . . 42.03 109.087 -177.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -117.75 114.12 22.85 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 106.979 -1.489 . . . . 56.6 106.979 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.1 p -66.97 -18.02 65.19 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 119.489 -0.884 . . . . 54.03 111.863 178.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 63.1 13.7 7.04 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 125.629 1.572 . . . . 81.84 112.33 -170.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.5 mt -122.38 16.59 10.54 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.435 0.694 . . . . 46.2 111.296 168.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLY . . . . . 0.635 ' HA2' ' HB2' ' A' ' 41' ' ' ASP . . . 106.08 -15.01 44.18 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 116.28 1.272 . . . . 44.93 116.28 175.729 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 tt -93.36 132.04 37.97 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 118.966 1.383 . . . . 42.63 111.11 177.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 48.4 m95 -116.81 139.48 50.55 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 124.14 0.976 . . . . 56.66 109.004 173.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 77.4 mt -111.45 133.55 53.67 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.22 -1.03 . . . . 37.06 108.22 170.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.4 p -147.24 175.94 10.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.476 0.655 . . . . 55.78 110.044 -172.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 52.68 42.8 31.74 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.191 -0.913 . . . . 51.77 112.519 179.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -55.81 136.73 51.04 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.204 0.526 . . . . 36.12 111.256 -177.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.4 mt -128.17 113.34 29.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 107.226 -1.398 . . . . 32.34 107.226 167.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 21.0 mmt -76.18 134.15 39.98 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.43 -0.581 . . . . 36.75 109.43 179.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.8 mt -104.93 -4.17 22.45 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 112.495 0.554 . . . . 39.31 112.495 -175.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.22 140.92 31.37 Favored 'General case' 0 C--O 1.186 -2.267 0 N-CA-C 107.286 -1.375 . . . . 57.94 107.286 177.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . . . -69.06 -44.67 72.14 Favored 'General case' 0 C--O 1.203 -1.373 0 N-CA-C 117.145 2.276 . . . . 77.68 117.145 179.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . . . -73.27 143.29 47.1 Favored 'General case' 0 CA--C 1.48 -1.725 0 C-N-CA 119.74 -0.784 . . . . 81.9 112.682 -175.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -99.33 137.31 20.33 Favored Pre-proline 0 C--O 1.209 -1.033 0 N-CA-C 104.085 -2.561 . . . . 77.15 104.085 177.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -62.38 133.95 45.85 Favored 'Trans proline' 0 C--O 1.198 -1.521 1 C-N-CA 127.512 5.475 . . . . 70.01 120.986 -174.191 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -67.62 -45.1 76.4 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-N 114.064 -1.426 . . . . 85.46 111.566 177.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -115.44 115.93 27.37 Favored 'General case' 0 C--O 1.194 -1.849 0 C-N-CA 119.157 -1.017 . . . . 73.93 111.711 -176.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 41.2 tpp -63.69 -42.83 97.96 Favored 'General case' 0 C--O 1.181 -2.512 0 N-CA-C 115.702 1.741 . . . . 79.99 115.702 -176.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -65.09 -45.69 84.14 Favored 'General case' 0 C--O 1.178 -2.678 0 C-N-CA 119.556 -0.858 . . . . 80.31 112.777 -179.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . . . -61.48 -42.9 99.49 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 120.665 -0.414 . . . . 63.48 110.884 177.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -58.57 -51.97 67.62 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 122.199 -0.313 . . . . 48.43 111.702 178.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.9 mt -57.09 -41.46 78.95 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 120.315 -0.554 . . . . 39.8 112.084 176.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.67 -44.85 97.4 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 119.476 -1.345 . . . . 38.96 112.439 177.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -66.29 -38.73 88.44 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 122.406 -0.467 . . . . 67.48 111.153 -178.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.98 -44.62 96.35 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 120.974 0.416 . . . . 39.28 110.803 176.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -68.63 -37.62 79.87 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.106 -0.638 . . . . 54.17 111.201 -177.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.19 -45.29 93.66 Favored 'General case' 0 C--O 1.243 0.747 0 C-N-CA 120.596 -0.442 . . . . 41.2 111.635 173.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.44 -41.72 94.63 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 120.192 -0.603 . . . . 34.17 111.033 177.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 88.0 m -61.77 -39.28 91.1 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 111.882 0.327 . . . . 46.46 111.882 176.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -61.36 -45.44 94.37 Favored 'General case' 0 C--O 1.243 0.716 0 C-N-CA 119.975 -0.69 . . . . 39.55 111.261 177.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ARG . . . . . 0.582 ' NH1' ' O ' ' A' ' 202' ' ' HOH . 14.9 mtt85 -59.54 -41.38 89.92 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 120.085 -0.646 . . . . 63.14 111.325 176.249 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 71.2 mt -62.59 -39.78 85.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 C-N-CA 120.331 -0.547 . . . . 33.78 110.441 179.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.05 -44.57 88.59 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.277 -0.569 . . . . 39.83 111.23 179.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.71 98.8 Favored 'General case' 0 C--O 1.245 0.842 0 C-N-CA 119.111 -1.036 . . . . 39.24 111.539 178.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.14 -38.04 89.36 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 120.185 -0.606 . . . . 43.11 111.694 179.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -67.39 -31.03 70.98 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.096 -0.641 . . . . 45.31 109.906 176.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' LEU . . . . . 0.42 ' CD2' ' HD3' ' A' ' 49' ' ' PRO . 1.8 mp -62.87 -39.28 93.94 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 120.279 -0.568 . . . . 58.63 110.667 175.291 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.9 mtp -73.42 -33.98 65.23 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 119.053 -1.059 . . . . 64.67 111.523 179.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.5 tp -63.73 -39.51 94.47 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-O 121.488 0.661 . . . . 49.68 110.676 175.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ASN . . . . . 0.544 ' HB2' ' NH1' ' C' ' 74' ' ' ARG . 13.2 t30 -76.31 -28.18 56.86 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.203 -0.453 . . . . 67.2 110.155 179.754 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -55.93 -42.55 76.31 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 110.092 -0.336 . . . . 82.86 110.092 167.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -74.38 -28.17 60.98 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 112.315 0.487 . . . . 69.24 112.315 -176.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' ALA . . . . . 0.546 ' HB1' ' HB3' ' C' ' 71' ' ' LEU . . . -78.26 -38.22 43.25 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 117.311 -1.756 . . . . 76.41 111.728 172.961 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.49 -20.73 60.61 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 112.577 0.584 . . . . 79.38 112.577 -179.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -75.55 -4.97 42.89 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 117.078 -1.849 . . . . 74.86 112.831 -175.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.8 mt -87.46 15.49 6.52 Favored 'General case' 0 CA--C 1.506 -0.719 0 C-N-CA 116.432 -2.107 . . . . 70.94 112.348 171.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -113.47 -5.48 13.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 121.0 -1.062 . . . . 97.29 113.504 175.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.319 0 N-CA-C 115.897 1.119 . . . . 89.36 115.897 172.239 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.6 tpt . . . . . 0 CA--C 1.519 -0.25 0 CA-C-O 120.925 0.393 . . . . 112.7 110.322 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.0 t -75.78 139.08 41.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 83.24 110.063 173.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -53.64 -44.22 69.4 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.848 -0.615 . . . . 65.79 111.62 -175.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -59.11 -40.83 86.57 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 120.63 -0.428 . . . . 64.43 111.942 177.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -69.51 -26.56 64.6 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 119.507 -0.877 . . . . 76.23 111.518 -177.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 19.9 mt -81.09 -34.34 13.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 C-N-CA 119.582 -0.847 . . . . 54.28 110.867 174.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -55.82 -36.22 67.22 Favored 'General case' 0 C--O 1.238 0.484 0 O-C-N 121.743 -0.598 . . . . 36.09 111.325 171.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -76.32 -11.47 59.91 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.879 0.696 . . . . 59.34 112.879 -177.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -71.81 -18.72 62.07 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.6 0.593 . . . . 58.76 112.6 166.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -89.38 155.45 48.82 Favored Pre-proline 0 C--O 1.233 0.236 0 C-N-CA 123.173 0.589 . . . . 33.49 110.848 179.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -66.3 160.16 46.55 Favored 'Trans proline' 0 C--N 1.329 -0.448 0 CA-C-O 122.081 0.784 . . . . 29.59 110.671 170.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 52.7 m -65.55 -40.69 93.14 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 114.938 -1.028 . . . . 39.36 111.535 -171.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 54.6 mt -123.05 123.96 69.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 N-CA-C 107.905 -1.146 . . . . 31.04 107.905 -175.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.6 mt -114.96 120.48 64.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 N-CA-C 107.387 -1.338 . . . . 27.54 107.387 174.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -95.41 138.84 32.54 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.553 -0.906 . . . . 32.15 108.553 176.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -134.07 162.38 24.49 Favored Glycine 0 N--CA 1.439 -1.116 0 CA-C-O 121.943 0.746 . . . . 21.24 111.601 -168.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -144.68 167.72 21.88 Favored 'General case' 0 C--O 1.163 -3.452 0 C-N-CA 124.694 1.198 . . . . 50.17 110.519 178.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.93 139.47 27.61 Favored 'General case' 0 C--N 1.313 -1.004 0 O-C-N 121.086 -1.009 . . . . 30.2 109.023 175.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 26.4 mtp-105 -64.5 132.75 50.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.593 -0.73 . . . . 57.88 109.093 176.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.77 14.43 67.64 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-O 119.133 -0.815 . . . . 46.68 114.812 -178.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -129.61 143.47 50.84 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 118.278 1.039 . . . . 56.1 109.311 179.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -89.06 -29.71 19.22 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.972 -0.558 . . . . 33.53 110.525 172.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -76.27 159.99 30.08 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-O 122.239 1.019 . . . . 35.35 109.988 177.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -115.68 -177.86 3.25 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 125.08 1.352 . . . . 41.02 108.048 178.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -144.6 164.68 30.21 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.292 -0.633 . . . . 31.26 109.292 -172.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 4.6 p -149.16 144.22 18.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-O 121.421 0.629 . . . . 44.95 109.45 -179.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 32.5 t -121.8 125.97 73.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 107.804 -1.184 . . . . 26.15 107.804 172.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -103.87 120.02 40.14 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 106.557 -1.646 . . . . 33.66 106.557 172.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 58.5 p -105.93 8.27 32.47 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 113.946 1.091 . . . . 31.13 113.946 -172.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 78.7 mmt-85 -114.04 170.45 8.27 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.569 -1.271 . . . . 51.46 107.569 168.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -63.94 143.44 98.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 C-N-CA 119.562 -0.855 . . . . 39.89 110.84 -178.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -67.63 132.31 18.53 Favored 'Cis proline' 0 CA--C 1.531 0.368 0 C-N-CA 125.403 -0.665 . . . . 36.82 111.658 -24.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -85.02 141.53 30.23 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 118.274 0.488 . . . . 43.32 110.425 -177.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -162.56 162.54 27.31 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 117.5 -1.68 . . . . 27.25 111.722 -179.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 35.3 tp -107.13 142.56 36.61 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 106.662 -1.607 . . . . 26.32 106.662 166.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.79 159.61 44.22 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 119.532 -0.867 . . . . 29.24 110.085 177.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 45.5 ttm-85 -94.54 138.73 32.08 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.706 -1.134 . . . . 28.99 109.388 171.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -117.03 119.85 36.56 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 106.693 -1.595 . . . . 34.88 106.693 -174.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 93.9 p -136.97 170.35 16.26 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.224 0.535 . . . . 37.3 110.277 -178.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -133.26 127.6 34.02 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 113.114 0.783 . . . . 39.33 113.114 -166.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' ASP . . . . . 0.498 ' HB2' ' HA2' ' B' ' 73' ' ' GLY . 72.9 m-20 -53.73 167.76 0.23 Allowed 'General case' 0 C--O 1.236 0.343 0 N-CA-C 116.813 2.153 . . . . 62.23 116.813 162.45 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -71.84 -25.03 61.8 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.348 -0.842 . . . . 73.77 111.935 159.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ASN . . . . . 0.407 ' H ' ' HB3' ' B' ' 41' ' ' ASP . 64.9 m-20 -65.54 -2.32 3.32 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 116.151 1.908 . . . . 76.81 116.151 171.629 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -84.12 114.98 22.15 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 118.704 0.684 . . . . 48.63 111.523 -169.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 19.5 p -93.36 -57.12 2.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.073 -0.512 . . . . 65.64 110.946 177.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.86 -7.5 27.6 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 123.712 0.672 . . . . 51.83 112.741 -176.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -73.5 144.32 46.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 117.306 0.553 . . . . 89.12 109.95 177.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' MET . . . . . 0.426 ' SD ' ' HG2' ' B' ' 110' ' ' MET . 0.5 OUTLIER -76.8 133.97 69.33 Favored Pre-proline 0 C--O 1.196 -1.749 0 N-CA-C 109.038 -0.727 . . . . 101.63 109.038 177.225 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -72.65 148.67 47.61 Favored 'Trans proline' 0 CA--C 1.497 -1.35 1 C-N-CA 126.954 5.103 . . . . 76.99 111.348 -178.826 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.97 -46.26 85.44 Favored 'General case' 0 CA--C 1.466 -2.25 0 CA-C-O 121.756 0.789 . . . . 80.95 109.999 -178.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -91.91 162.39 30.99 Favored Pre-proline 0 N--CA 1.425 -1.688 0 CA-C-N 114.71 -1.132 . . . . 81.61 108.495 178.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -64.44 148.5 90.74 Favored 'Trans proline' 0 CA--C 1.494 -1.52 0 C-N-CA 120.735 0.957 . . . . 63.2 111.225 179.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -62.21 142.11 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.654 0 CA-C-O 123.485 1.612 . . . . 58.5 111.889 179.903 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -148.3 87.2 1.58 Allowed 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 113.678 -1.601 . . . . 60.84 106.742 -172.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' GLY . . . . . 0.44 ' O ' ' HE3' ' B' ' 98' ' ' LYS . . . -90.37 -169.74 43.3 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-O 122.502 1.057 . . . . 43.16 113.766 -175.853 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -140.87 139.39 34.4 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.606 -0.797 . . . . 76.47 109.8 -174.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 25.0 mt -90.35 151.56 21.41 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.326 -0.99 . . . . 46.48 108.326 170.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.64 -179.17 39.16 Favored Glycine 0 CA--C 1.506 -0.496 0 C-N-CA 117.62 -2.228 . . . . 38.77 112.182 178.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' GLN . . . . . 0.403 ' HB2' ' HA ' ' C' ' 45' ' ' VAL . 58.4 mt-30 -105.23 135.64 46.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.348 -0.926 . . . . 54.49 109.989 176.903 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 7.6 tt -149.99 151.61 12.56 Favored 'Isoleucine or valine' 0 C--O 1.173 -2.94 0 N-CA-C 109.032 -0.729 . . . . 40.76 109.032 -179.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.82 168.42 14.84 Favored Glycine 0 C--O 1.19 -2.607 1 N-CA-C 124.514 4.566 . . . . 54.85 124.514 174.254 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 62' ' ' GLU . . . . . 1.392 ' CB ' ' HD3' ' B' ' 63' ' ' PRO . . . -56.09 -52.47 72.48 Favored Pre-proline 0 CA--C 1.469 -2.167 0 C-N-CA 125.187 1.395 . . . . 79.81 109.113 -174.506 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 63' ' ' PRO . . . . . 1.392 ' HD3' ' CB ' ' B' ' 62' ' ' GLU . 9.7 Cg_endo -113.15 122.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.311 -1.432 2 C-N-CA 140.418 14.079 . . . . 83.07 96.617 169.686 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 14.5 mtt85 -67.96 132.37 47.19 Favored 'General case' 0 C--O 1.184 -2.371 0 N-CA-C 116.277 1.954 . . . . 80.43 116.277 -175.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -131.35 159.02 39.16 Favored 'General case' 0 C--O 1.178 -2.699 0 N-CA-C 108.392 -0.966 . . . . 47.77 108.392 178.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 18.7 tp -74.67 141.58 44.57 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.416 0.627 . . . . 33.63 109.617 179.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.58 167.85 23.48 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.525 -0.917 . . . . 33.69 108.525 179.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -131.31 131.79 44.05 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.482 -0.781 . . . . 34.55 109.094 -176.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -117.92 114.36 23.1 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 106.792 -1.559 . . . . 43.8 106.792 -179.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 52.5 p -66.43 -16.16 63.89 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 119.593 -0.843 . . . . 44.35 112.392 179.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 64.15 14.09 8.33 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.094 0.958 . . . . 59.83 111.468 -169.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 40.7 mt -122.44 11.18 9.93 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 112.482 0.549 . . . . 55.94 112.482 171.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' GLY . . . . . 0.498 ' HA2' ' HB2' ' B' ' 41' ' ' ASP . . . 102.83 -14.69 56.03 Favored Glycine 0 N--CA 1.442 -0.926 0 CA-C-O 119.215 -0.77 . . . . 38.57 114.356 -179.355 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 10.3 tt -92.96 130.32 38.58 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 118.265 1.032 . . . . 33.81 109.796 178.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -118.54 140.09 50.43 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.259 1.024 . . . . 44.98 110.227 176.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 95.2 mt -114.46 133.25 55.89 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.618 -0.882 . . . . 31.27 108.618 168.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 97.8 p -148.64 177.33 9.59 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.503 0.668 . . . . 33.58 110.006 -173.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 53.44 43.03 31.88 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.196 -0.911 . . . . 38.59 112.222 179.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -55.38 136.28 49.5 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.952 -0.567 . . . . 29.78 111.003 -177.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 46.2 mt -128.72 113.68 30.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 107.768 -1.197 . . . . 39.39 107.768 167.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 18.7 mmt -76.33 135.02 39.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.077 0.465 . . . . 38.49 110.331 179.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 63.7 mt -106.35 -5.1 19.29 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 113.486 0.921 . . . . 38.18 113.486 -174.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -74.03 163.22 28.16 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 122.13 0.967 . . . . 46.51 111.364 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -80.43 -28.99 37.6 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 114.97 -1.014 . . . . 69.69 112.932 -173.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -123.84 142.19 51.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 118.238 0.472 . . . . 77.57 110.63 -170.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' LYS . . . . . 0.655 ' HG3' HG11 ' C' ' 27' ' ' VAL . 83.1 mttt -70.27 153.52 95.15 Favored Pre-proline 0 N--CA 1.448 -0.541 0 CA-C-N 115.902 -0.59 . . . . 66.67 109.688 170.678 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -71.36 144.96 47.03 Favored 'Trans proline' 0 C--N 1.33 -0.396 0 C-N-CA 120.436 0.758 . . . . 48.96 112.853 -173.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . . . -68.16 -48.91 64.03 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 114.717 -1.129 . . . . 54.81 110.509 172.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -113.55 112.33 23.37 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 123.298 0.639 . . . . 65.73 109.507 -175.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' MET . . . . . 0.856 ' SD ' HD13 ' C' ' 19' ' ' ILE . 67.3 mmm -65.3 -39.07 92.04 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.022 -0.535 . . . . 84.81 112.437 -178.044 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 91' ' ' GLU . . . . . 0.46 ' HG3' HD22 ' C' ' 41' ' ' LEU . 51.7 mt-10 -60.79 -46.15 91.62 Favored 'General case' 0 C--O 1.244 0.769 0 C-N-CA 120.1 -0.64 . . . . 83.96 110.51 -179.734 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -61.41 -44.97 96.22 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.234 0.54 . . . . 73.51 110.168 178.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -58.64 -51.25 70.71 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.186 -0.461 . . . . 45.02 112.115 -179.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 48.5 mt -56.38 -42.16 77.42 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 120.472 -0.491 . . . . 49.1 111.986 176.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.94 -46.29 94.86 Favored Glycine 0 C--N 1.338 0.641 0 C-N-CA 119.148 -1.501 . . . . 36.02 112.492 177.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -65.44 -39.28 91.89 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 122.344 -0.504 . . . . 54.22 111.073 -178.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 55.4 tp -62.75 -45.21 93.77 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 120.83 0.347 . . . . 36.27 111.202 178.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' LYS . . . . . 0.559 ' HE2' ' OD2' ' B' ' 102' ' ' ASP . 5.9 tmtt? -69.12 -36.74 77.82 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 119.743 -0.783 . . . . 50.04 110.986 -177.305 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.68 -45.5 91.9 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 120.146 -0.622 . . . . 44.95 111.474 172.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.63 94.99 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.468 -0.493 . . . . 38.9 111.257 178.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' CYS . . . . . . . . . . . . . 89.5 m -62.14 -40.28 95.42 Favored 'General case' 0 C--O 1.239 0.5 0 N-CA-C 111.981 0.363 . . . . 36.73 111.981 177.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' ASP . . . . . 0.559 ' OD2' ' HE2' ' B' ' 98' ' ' LYS . 82.3 m-20 -61.09 -46.05 92.22 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 119.794 -0.763 . . . . 41.46 111.034 177.133 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 96.5 mtm-85 -59.86 -39.86 86.65 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.376 -0.529 . . . . 52.74 111.352 176.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 51.4 mt -63.65 -40.61 89.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 C-N-CA 120.177 -0.609 . . . . 31.87 110.684 179.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.03 -44.96 87.38 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 119.568 -0.853 . . . . 36.3 111.136 179.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.35 -39.08 91.96 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 119.679 -0.809 . . . . 38.68 111.125 177.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -64.37 -36.89 85.6 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 122.203 -0.311 . . . . 43.02 111.283 179.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.43 -33.64 73.26 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.07 -0.652 . . . . 48.21 110.665 176.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 76.3 mt -66.05 -42.81 89.02 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 119.924 -0.711 . . . . 51.56 111.624 177.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' MET . . . . . 0.426 ' HG2' ' SD ' ' B' ' 48' ' ' MET . 31.3 mtm -75.61 -28.13 58.75 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 118.999 -1.08 . . . . 89.24 111.56 -179.386 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 111' ' ' LEU . . . . . 0.415 HD13 ' HG3' ' A' ' 19' ' ' ARG . 51.7 tp -61.78 -45.26 94.65 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.341 -0.544 . . . . 53.42 111.334 178.013 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 112' ' ' ASN . . . . . 0.436 ' O ' ' HB2' ' B' ' 113' ' ' GLU . 2.7 m-80 -93.8 19.63 8.6 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.478 0.918 . . . . 66.53 113.478 179.541 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 113' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' B' ' 112' ' ' ASN . 2.6 mt-10 . . . . . 0 N--CA 1.491 1.612 0 C-N-CA 130.292 3.437 . . . . 83.97 109.612 170.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.253 0 CA-C-O 121.373 0.606 . . . . 81.02 112.02 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 17' ' ' ILE . . . . . 0.496 HG12 ' HB3' ' C' ' 20' ' ' ALA 0.289 2.5 tt -64.81 -39.4 85.53 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.708 0 N-CA-C 116.401 2.001 . . . . 87.46 116.401 -177.462 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.09 -124.12 25.01 Favored Glycine 0 C--O 1.189 -2.712 0 N-CA-C 116.611 1.404 . . . . 76.24 116.611 -179.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' ILE . . . . . 0.856 HD13 ' SD ' ' B' ' 90' ' ' MET . 5.3 tp -54.81 -26.21 16.68 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.303 0 O-C-N 122.283 -0.54 . . . . 52.31 112.226 178.574 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 20' ' ' ALA . . . . . 0.496 ' HB3' HG12 ' C' ' 17' ' ' ILE . . . -85.94 10.81 12.91 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 113.099 0.777 . . . . 45.32 113.099 -179.886 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 34.6 p -76.79 -3.7 39.66 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 118.6 0.636 . . . . 56.52 112.267 172.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 23.2 m -126.99 157.95 38.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 108.221 -1.029 . . . . 47.74 108.221 170.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.12 153.72 47.06 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 119.87 -1.157 . . . . 35.19 111.098 171.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -128.66 115.38 17.94 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.12 -1.437 . . . . 41.0 107.12 174.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.77 -30.25 45.53 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.075 -0.65 . . . . 50.3 111.638 -173.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 26' ' ' MET . . . . . . . . . . . . . 13.4 mmt -110.2 -12.15 14.5 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 113.933 1.086 . . . . 71.93 113.933 -174.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' VAL . . . . . 0.655 HG11 ' HG3' ' B' ' 86' ' ' LYS . 21.2 t -103.0 136.85 33.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 108.922 -0.77 . . . . 76.8 108.922 -172.038 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.359 0 CA-C-N 115.743 -0.662 . . . . 72.13 109.803 178.166 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.201 0 N-CA-C 108.955 -0.757 . . . . 100.52 108.955 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 35' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -93.48 19.55 0.8 Allowed 'Trans proline' 0 C--O 1.194 -1.7 1 C-N-CA 126.574 4.849 . . . . 91.55 112.417 -176.334 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 9.6 tt -59.43 135.02 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.305 0 CA-C-O 121.994 0.902 . . . . 50.27 109.158 177.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -100.35 161.56 13.52 Favored 'General case' 0 C--O 1.181 -2.523 0 N-CA-C 112.798 0.666 . . . . 49.43 112.798 -177.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 82.4 mt -58.07 -32.1 67.72 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.875 -0.33 . . . . 44.45 111.047 176.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 5.8 tt -72.2 -24.31 22.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 N-CA-C 111.624 0.231 . . . . 64.17 111.624 -178.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -74.65 -11.25 60.14 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 112.071 0.397 . . . . 39.55 112.071 169.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 41' ' ' LEU . . . . . 0.46 HD22 ' HG3' ' B' ' 91' ' ' GLU . 89.4 mt -113.34 13.4 19.04 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 112.888 0.699 . . . . 44.73 112.888 -173.021 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.72 5.62 87.95 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 115.919 1.128 . . . . 43.53 115.919 178.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 97.5 t -93.89 109.34 21.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 118.7 1.25 . . . . 43.75 107.822 -171.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 49.3 ptt85 -83.87 175.87 9.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.972 0.892 . . . . 59.46 111.627 -171.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 45' ' ' VAL . . . . . 0.403 ' HA ' ' HB2' ' B' ' 59' ' ' GLN . 44.3 t -97.37 130.82 45.48 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.357 0 N-CA-C 105.229 -2.138 . . . . 51.83 105.229 178.768 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -69.99 151.12 45.94 Favored 'General case' 0 C--O 1.2 -1.5 0 CA-C-O 121.86 0.838 . . . . 57.91 110.951 -179.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 47' ' ' GLU . . . . . 0.688 ' CD ' ' H ' ' C' ' 47' ' ' GLU . 0.1 OUTLIER -66.16 -39.5 89.83 Favored 'General case' 0 C--O 1.202 -1.399 0 CA-C-N 115.829 -0.623 . . . . 89.31 112.255 178.383 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 48' ' ' ARG . . . . . 0.599 ' NH1' ' O ' ' C' ' 101' ' ' HOH . 0.3 OUTLIER -64.26 141.98 58.58 Favored 'General case' 0 C--O 1.18 -2.577 0 N-CA-C 114.24 1.2 . . . . 55.17 114.24 178.898 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.08 -36.93 66.91 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 122.052 -0.405 . . . . 53.59 111.885 177.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -139.47 155.42 47.58 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 118.311 0.505 . . . . 68.66 110.656 -171.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 51' ' ' VAL . . . . . . . . . . . . . 77.0 t -67.83 133.04 92.26 Favored Pre-proline 0 C--O 1.242 0.709 0 N-CA-C 108.977 -0.749 . . . . 38.56 108.977 175.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -62.95 150.55 88.2 Favored 'Trans proline' 0 C--N 1.331 -0.369 0 CA-C-N 119.113 0.719 . . . . 40.41 111.94 -175.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 53' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -114.15 126.71 55.38 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 114.985 -1.007 . . . . 57.26 108.41 177.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 30.1 m -60.87 125.23 22.95 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.103 -0.499 . . . . 34.05 110.756 -173.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 55' ' ' GLY . . . . . . . . . . . . . . . -72.63 164.96 54.67 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-O 122.292 0.94 . . . . 34.71 112.755 179.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 56' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -64.36 -40.87 96.71 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 114.709 -0.745 . . . . 47.05 112.163 -168.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 43.7 t -67.22 -53.87 26.17 Favored 'General case' 0 C--O 1.242 0.699 0 O-C-N 121.952 -0.467 . . . . 43.43 111.301 -172.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 49.4 tp -56.72 -43.11 80.28 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 120.687 0.28 . . . . 35.38 111.239 174.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.29 96.2 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.834 -0.346 . . . . 39.04 111.255 -177.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 11.2 ptt? -72.75 -38.75 67.26 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 120.19 -0.604 . . . . 43.63 111.009 -177.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.18 -49.32 76.34 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 119.415 -0.914 . . . . 39.73 111.167 172.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 62' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -68.24 -31.48 70.99 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 119.835 -0.746 . . . . 37.07 111.539 -177.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 44.5 ttm105 -66.46 -41.37 89.16 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 122.146 -0.347 . . . . 39.33 110.985 177.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 20.2 tp -59.85 -43.82 94.44 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 119.815 -0.754 . . . . 35.66 111.186 173.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.72 -41.73 98.01 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 119.456 -0.897 . . . . 35.11 111.482 179.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -61.07 -43.89 98.2 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.596 -0.442 . . . . 38.03 111.382 176.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 3.6 m -59.81 -43.23 94.61 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 120.448 -0.501 . . . . 41.88 111.174 178.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 80.1 t -62.86 -48.04 89.95 Favored 'Isoleucine or valine' 0 C--O 1.244 0.778 0 CA-C-O 121.175 0.512 . . . . 41.83 110.587 -179.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 69' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -56.27 -46.22 79.77 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 122.012 -0.43 . . . . 46.41 111.048 177.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 70' ' ' ARG . . . . . . . . . . . . . 26.7 ttm105 -60.2 -44.07 95.4 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.94 -0.304 . . . . 59.17 111.581 -179.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 71' ' ' LEU . . . . . 0.546 ' HB3' ' HB1' ' A' ' 115' ' ' ALA . 1.4 pp -71.52 -31.33 66.93 Favored 'General case' 0 C--O 1.243 0.746 0 C-N-CA 118.764 -1.174 . . . . 65.74 111.494 -175.409 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 67.0 m -58.76 -52.06 67.32 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 119.771 -0.771 . . . . 67.16 110.754 167.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 39.1 mtm-85 -49.74 -51.87 35.78 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.906 0.384 . . . . 63.38 111.329 177.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 74' ' ' ARG . . . . . 0.544 ' NH1' ' HB2' ' A' ' 112' ' ' ASN . 84.7 mtt180 -81.46 -25.09 36.36 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 113.304 0.853 . . . . 77.54 113.304 -164.815 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 75' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -74.25 -32.99 63.17 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 118.176 -1.409 . . . . 93.04 110.374 168.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.99 -21.57 66.87 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.747 0.647 . . . . 86.22 112.747 178.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 77' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 C-N-CA 122.877 0.471 . . . . 89.19 110.389 176.444 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . 0.582 ' O ' ' NH1' ' A' ' 103' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' HOH . . . . . 0.599 ' O ' ' NH1' ' C' ' 48' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.989 0 N-CA-C 109.074 -0.713 . . . . 90.27 109.074 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . . . -58.83 -37.44 76.45 Favored 'General case' 0 C--O 1.199 -1.572 0 N-CA-C 114.261 1.208 . . . . 94.59 114.261 -176.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -104.51 126.43 51.59 Favored 'General case' 0 C--O 1.194 -1.818 0 C-N-CA 119.644 -0.822 . . . . 88.31 112.612 -179.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -90.96 122.95 34.07 Favored 'General case' 0 C--O 1.178 -2.675 0 N-CA-C 106.171 -1.788 . . . . 53.39 106.171 178.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.6 mm -76.57 -26.17 16.5 Favored 'Isoleucine or valine' 1 C--O 1.15 -4.18 0 O-C-N 122.053 -0.404 . . . . 32.12 110.65 -176.794 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -52.16 -34.51 45.2 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 112.854 0.687 . . . . 29.97 112.854 176.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -76.46 -11.19 59.84 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 113.211 0.819 . . . . 37.91 113.211 -175.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -73.39 -16.95 61.32 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 118.841 0.746 . . . . 49.41 112.702 166.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -88.84 156.05 49.91 Favored Pre-proline 0 C--N 1.343 0.307 0 C-N-CA 123.769 0.828 . . . . 25.62 111.05 179.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -66.2 160.9 42.73 Favored 'Trans proline' 0 C--N 1.33 -0.446 0 CA-C-O 122.039 0.766 . . . . 26.49 110.685 169.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.9 m -65.41 -41.28 93.78 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 114.934 -1.03 . . . . 25.14 112.125 -170.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.3 mt -123.36 125.01 71.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 109.027 -0.731 . . . . 28.85 109.027 -174.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.5 mt -114.79 120.69 65.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 N-CA-C 107.446 -1.316 . . . . 23.77 107.446 174.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -95.21 139.18 31.9 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.414 -0.958 . . . . 29.61 108.414 175.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -133.7 160.65 24.1 Favored Glycine 0 CA--C 1.502 -0.774 0 CA-C-O 122.772 1.207 . . . . 24.98 112.833 -169.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -144.08 171.34 14.4 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 106.043 -1.836 . . . . 43.96 106.043 -179.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.452 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . . . -146.44 145.83 30.36 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.499 -0.926 . . . . 39.15 108.499 176.514 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.415 ' HG3' HD13 ' B' ' 111' ' ' LEU . 10.6 mtp180 -60.14 127.73 33.27 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.643 -0.708 . . . . 50.2 109.674 178.889 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.83 17.16 75.69 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 118.555 -1.783 . . . . 54.94 114.679 176.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' HG3' ' HB3' ' A' ' 18' ' ' ALA . 28.0 mm-40 -126.29 142.71 51.42 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 118.511 1.155 . . . . 63.07 110.602 -176.195 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . . . -89.23 -28.96 19.6 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-N 114.953 -1.021 . . . . 52.78 111.874 174.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.467 ' OD2' ' NH1' ' A' ' 37' ' ' ARG . 41.8 m-20 -74.58 153.67 38.92 Favored 'General case' 0 C--O 1.177 -2.716 0 C-N-CA 122.888 0.475 . . . . 61.95 111.94 178.582 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -116.0 179.46 3.98 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.555 -0.906 . . . . 44.28 108.555 178.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -145.07 165.55 27.91 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 119.111 -1.035 . . . . 32.09 109.232 -172.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.9 p -148.86 143.86 18.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.56 0.695 . . . . 26.12 109.519 179.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.0 t -121.44 125.96 74.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 N-CA-C 107.672 -1.233 . . . . 23.84 107.672 171.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.2 t-80 -104.0 121.18 42.61 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 106.955 -1.498 . . . . 28.99 106.955 172.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.3 p -105.82 3.37 28.64 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 113.701 1.0 . . . . 27.41 113.701 -172.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.8 mmt-85 -105.59 169.27 8.57 Favored 'General case' 1 C--O 1.135 -4.933 0 N-CA-C 107.671 -1.233 . . . . 38.95 107.671 170.983 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -61.77 138.66 95.42 Favored Pre-proline 0 C--O 1.159 -3.709 0 O-C-N 119.602 -1.937 . . . . 51.19 115.542 -179.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.34 127.98 13.27 Favored 'Cis proline' 0 C--O 1.16 -3.391 0 C-N-CA 131.834 2.014 . . . . 33.19 110.23 -23.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -75.62 141.64 42.8 Favored 'General case' 0 C--O 1.17 -3.081 0 C-N-CA 123.621 0.769 . . . . 34.12 111.87 -178.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -161.43 163.5 30.44 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 117.656 -1.618 . . . . 24.08 110.873 179.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 31.1 tp -107.44 142.46 37.25 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 107.115 -1.439 . . . . 28.23 107.115 166.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.32 159.38 44.33 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 119.42 -0.912 . . . . 29.24 110.485 177.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.467 ' NH1' ' OD2' ' A' ' 23' ' ' ASP . 43.9 ttm-85 -94.44 142.23 27.67 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 114.7 -1.136 . . . . 37.68 110.36 173.63 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -116.77 119.64 36.08 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 125.418 1.487 . . . . 45.56 107.842 -173.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 87.3 p -136.53 168.79 18.8 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 109.795 -0.446 . . . . 39.67 109.795 178.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -133.37 128.2 35.12 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.848 1.055 . . . . 43.18 113.848 -165.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.635 ' HB2' ' HA2' ' A' ' 73' ' ' GLY . 71.7 m-20 -54.57 179.06 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 117.725 2.491 . . . . 68.44 117.725 161.917 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -86.32 -30.14 22.47 Favored 'General case' 0 C--O 1.195 -1.812 0 N-CA-C 103.257 -2.868 . . . . 86.1 103.257 170.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.484 ' H ' ' HB3' ' A' ' 41' ' ' ASP . 97.1 m-20 -63.03 -5.02 2.6 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 115.046 1.499 . . . . 87.83 115.046 174.072 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -83.29 114.05 21.13 Favored 'General case' 0 CA--C 1.501 -0.91 0 N-CA-C 114.586 1.328 . . . . 76.34 114.586 -175.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.8 p -104.15 -39.21 6.61 Favored 'General case' 0 C--O 1.205 -1.253 0 CA-C-N 114.117 -1.402 . . . . 78.93 112.107 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.52 -4.24 63.95 Favored Glycine 0 N--CA 1.439 -1.103 0 CA-C-N 115.57 -0.741 . . . . 77.63 112.41 -177.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -71.35 140.36 50.19 Favored 'General case' 0 C--O 1.192 -1.936 0 C-N-CA 122.459 0.304 . . . . 107.65 110.94 -179.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.4 mmm -72.29 135.89 81.82 Favored Pre-proline 0 C--O 1.194 -1.863 0 C-N-CA 120.864 -0.335 . . . . 91.49 110.944 -179.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.42 ' HD3' ' CD2' ' A' ' 109' ' ' LEU . 47.9 Cg_endo -72.53 149.41 49.65 Favored 'Trans proline' 0 C--O 1.208 -1.023 0 C-N-CA 124.877 3.718 . . . . 90.83 113.29 -178.819 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.47 -52.75 23.71 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.902 -0.719 . . . . 83.27 110.648 179.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -89.37 157.18 47.79 Favored Pre-proline 0 C--O 1.207 -1.147 0 C-N-CA 125.842 1.657 . . . . 105.63 113.963 178.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -54.68 144.08 66.42 Favored 'Trans proline' 0 C--N 1.325 -0.664 0 C-N-CA 115.912 -2.259 . . . . 66.31 113.552 179.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 91.3 t -55.29 138.67 15.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 CA-C-N 115.112 -0.949 . . . . 62.46 110.291 177.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -152.74 85.41 1.24 Allowed 'General case' 0 C--N 1.345 0.377 0 N-CA-C 107.446 -1.316 . . . . 70.4 107.446 -173.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -91.99 -169.23 40.97 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.632 -0.713 . . . . 53.2 111.346 -179.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -139.73 138.87 36.31 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.371 -0.414 . . . . 86.79 110.41 -176.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 mt -91.33 151.65 20.78 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.027 0.931 . . . . 38.92 110.312 172.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.91 173.99 40.01 Favored Glycine 0 C--O 1.18 -3.244 0 N-CA-C 115.68 1.032 . . . . 33.6 115.68 179.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -110.94 123.09 49.48 Favored 'General case' 0 C--O 1.165 -3.362 0 C-N-CA 124.77 1.228 . . . . 49.31 108.607 176.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.2 tt -141.47 163.01 20.84 Favored 'Isoleucine or valine' 0 C--O 1.183 -2.416 0 C-N-CA 123.805 0.842 . . . . 57.6 109.105 -177.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.58 158.55 20.56 Favored Glycine 0 C--O 1.197 -2.194 1 N-CA-C 124.596 4.598 . . . . 71.86 124.596 176.316 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLU . . . . . 1.24 ' CB ' ' HD3' ' A' ' 63' ' ' PRO . . . -58.5 -49.26 94.49 Favored Pre-proline 0 CA--C 1.479 -1.77 0 C-N-CA 127.068 2.147 . . . . 90.68 112.27 -172.763 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' PRO . . . . . 1.24 ' HD3' ' CB ' ' A' ' 62' ' ' GLU . 38.7 Cg_exo -101.51 134.27 0.15 Allowed 'Trans proline' 0 N--CA 1.451 -1.028 2 C-N-CA 140.781 14.321 . . . . 93.44 97.079 159.877 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.72 132.06 47.29 Favored 'General case' 0 C--O 1.195 -1.807 0 CA-C-N 113.79 -1.55 . . . . 77.44 113.095 -176.469 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . . . -138.46 150.73 46.74 Favored 'General case' 0 C--O 1.187 -2.204 0 C-N-CA 120.212 -0.595 . . . . 50.63 111.564 177.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.73 143.61 44.04 Favored 'General case' 0 C--O 1.181 -2.503 0 N-CA-C 109.862 -0.422 . . . . 55.14 109.862 177.046 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.66 162.07 39.23 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.37 -0.974 . . . . 37.11 108.37 176.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -135.19 131.68 37.01 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 114.974 -1.012 . . . . 42.03 109.087 -177.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -117.75 114.12 22.85 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 106.979 -1.489 . . . . 56.6 106.979 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.1 p -66.97 -18.02 65.19 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 119.489 -0.884 . . . . 54.03 111.863 178.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 63.1 13.7 7.04 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 125.629 1.572 . . . . 81.84 112.33 -170.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.5 mt -122.38 16.59 10.54 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 123.435 0.694 . . . . 46.2 111.296 168.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.635 ' HA2' ' HB2' ' A' ' 41' ' ' ASP . . . 106.08 -15.01 44.18 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 116.28 1.272 . . . . 44.93 116.28 175.729 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 tt -93.36 132.04 37.97 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 118.966 1.383 . . . . 42.63 111.11 177.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 48.4 m95 -116.81 139.48 50.55 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 124.14 0.976 . . . . 56.66 109.004 173.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 77.4 mt -111.45 133.55 53.67 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 108.22 -1.03 . . . . 37.06 108.22 170.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 88.4 p -147.24 175.94 10.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.476 0.655 . . . . 55.78 110.044 -172.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 52.68 42.8 31.74 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.191 -0.913 . . . . 51.77 112.519 179.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -55.81 136.73 51.04 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.204 0.526 . . . . 36.12 111.256 -177.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.4 mt -128.17 113.34 29.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 107.226 -1.398 . . . . 32.34 107.226 167.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 21.0 mmt -76.18 134.15 39.98 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.43 -0.581 . . . . 36.75 109.43 179.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.8 mt -104.93 -4.17 22.45 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 112.495 0.554 . . . . 39.31 112.495 -175.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.22 140.92 31.37 Favored 'General case' 0 C--O 1.186 -2.267 0 N-CA-C 107.286 -1.375 . . . . 57.94 107.286 177.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . . . -69.06 -44.67 72.14 Favored 'General case' 0 C--O 1.203 -1.373 0 N-CA-C 117.145 2.276 . . . . 77.68 117.145 179.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . . . -73.27 143.29 47.1 Favored 'General case' 0 CA--C 1.48 -1.725 0 C-N-CA 119.74 -0.784 . . . . 81.9 112.682 -175.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -99.33 137.31 20.33 Favored Pre-proline 0 C--O 1.209 -1.033 0 N-CA-C 104.085 -2.561 . . . . 77.15 104.085 177.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -62.38 133.95 45.85 Favored 'Trans proline' 0 C--O 1.198 -1.521 1 C-N-CA 127.512 5.475 . . . . 70.01 120.986 -174.191 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . . . -67.62 -45.1 76.4 Favored 'General case' 0 N--CA 1.427 -1.616 0 CA-C-N 114.064 -1.426 . . . . 85.46 111.566 177.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -115.44 115.93 27.37 Favored 'General case' 0 C--O 1.194 -1.849 0 C-N-CA 119.157 -1.017 . . . . 73.93 111.711 -176.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 41.2 tpp -63.69 -42.83 97.96 Favored 'General case' 0 C--O 1.181 -2.512 0 N-CA-C 115.702 1.741 . . . . 79.99 115.702 -176.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -65.09 -45.69 84.14 Favored 'General case' 0 C--O 1.178 -2.678 0 C-N-CA 119.556 -0.858 . . . . 80.31 112.777 -179.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . . . -61.48 -42.9 99.49 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 120.665 -0.414 . . . . 63.48 110.884 177.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -58.57 -51.97 67.62 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 122.199 -0.313 . . . . 48.43 111.702 178.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.9 mt -57.09 -41.46 78.95 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 120.315 -0.554 . . . . 39.8 112.084 176.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.67 -44.85 97.4 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 119.476 -1.345 . . . . 38.96 112.439 177.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -66.29 -38.73 88.44 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 122.406 -0.467 . . . . 67.48 111.153 -178.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.98 -44.62 96.35 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 120.974 0.416 . . . . 39.28 110.803 176.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -68.63 -37.62 79.87 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.106 -0.638 . . . . 54.17 111.201 -177.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.19 -45.29 93.66 Favored 'General case' 0 C--O 1.243 0.747 0 C-N-CA 120.596 -0.442 . . . . 41.2 111.635 173.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.44 -41.72 94.63 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 120.192 -0.603 . . . . 34.17 111.033 177.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 88.0 m -61.77 -39.28 91.1 Favored 'General case' 0 C--O 1.237 0.414 0 N-CA-C 111.882 0.327 . . . . 46.46 111.882 176.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -61.36 -45.44 94.37 Favored 'General case' 0 C--O 1.243 0.716 0 C-N-CA 119.975 -0.69 . . . . 39.55 111.261 177.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.582 ' NH1' ' O ' ' A' ' 202' ' ' HOH . 14.9 mtt85 -59.54 -41.38 89.92 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 120.085 -0.646 . . . . 63.14 111.325 176.249 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 71.2 mt -62.59 -39.78 85.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 C-N-CA 120.331 -0.547 . . . . 33.78 110.441 179.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.05 -44.57 88.59 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.277 -0.569 . . . . 39.83 111.23 179.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.71 98.8 Favored 'General case' 0 C--O 1.245 0.842 0 C-N-CA 119.111 -1.036 . . . . 39.24 111.539 178.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -65.14 -38.04 89.36 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 120.185 -0.606 . . . . 43.11 111.694 179.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -67.39 -31.03 70.98 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.096 -0.641 . . . . 45.31 109.906 176.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.42 ' CD2' ' HD3' ' A' ' 49' ' ' PRO . 1.8 mp -62.87 -39.28 93.94 Favored 'General case' 0 CA--C 1.52 -0.199 0 C-N-CA 120.279 -0.568 . . . . 58.63 110.667 175.291 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' MET . . . . . . . . . . . . . 2.9 mtp -73.42 -33.98 65.23 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 119.053 -1.059 . . . . 64.67 111.523 179.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 9.5 tp -63.73 -39.51 94.47 Favored 'General case' 0 C--O 1.245 0.817 0 CA-C-O 121.488 0.661 . . . . 49.68 110.676 175.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.544 ' HB2' ' NH1' ' C' ' 74' ' ' ARG . 13.2 t30 -76.31 -28.18 56.86 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.203 -0.453 . . . . 67.2 110.155 179.754 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -55.93 -42.55 76.31 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 110.092 -0.336 . . . . 82.86 110.092 167.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -74.38 -28.17 60.98 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 112.315 0.487 . . . . 69.24 112.315 -176.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.546 ' HB1' ' HB3' ' C' ' 71' ' ' LEU . . . -78.26 -38.22 43.25 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 117.311 -1.756 . . . . 76.41 111.728 172.961 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.49 -20.73 60.61 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 112.577 0.584 . . . . 79.38 112.577 -179.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -75.55 -4.97 42.89 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 117.078 -1.849 . . . . 74.86 112.831 -175.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.8 mt -87.46 15.49 6.52 Favored 'General case' 0 CA--C 1.506 -0.719 0 C-N-CA 116.432 -2.107 . . . . 70.94 112.348 171.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -113.47 -5.48 13.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 121.0 -1.062 . . . . 97.29 113.504 175.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.319 0 N-CA-C 115.897 1.119 . . . . 89.36 115.897 172.239 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.6 tpt . . . . . 0 CA--C 1.519 -0.25 0 CA-C-O 120.925 0.393 . . . . 112.7 110.322 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.0 t -75.78 139.08 41.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 83.24 110.063 173.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 17.9 mttm -53.64 -44.22 69.4 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.848 -0.615 . . . . 65.79 111.62 -175.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -59.11 -40.83 86.57 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 120.63 -0.428 . . . . 64.43 111.942 177.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -69.51 -26.56 64.6 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 119.507 -0.877 . . . . 76.23 111.518 -177.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 19.9 mt -81.09 -34.34 13.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 C-N-CA 119.582 -0.847 . . . . 54.28 110.867 174.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -55.82 -36.22 67.22 Favored 'General case' 0 C--O 1.238 0.484 0 O-C-N 121.743 -0.598 . . . . 36.09 111.325 171.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -76.32 -11.47 59.91 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.879 0.696 . . . . 59.34 112.879 -177.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -71.81 -18.72 62.07 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.6 0.593 . . . . 58.76 112.6 166.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -89.38 155.45 48.82 Favored Pre-proline 0 C--O 1.233 0.236 0 C-N-CA 123.173 0.589 . . . . 33.49 110.848 179.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -66.3 160.16 46.55 Favored 'Trans proline' 0 C--N 1.329 -0.448 0 CA-C-O 122.081 0.784 . . . . 29.59 110.671 170.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 52.7 m -65.55 -40.69 93.14 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 114.938 -1.028 . . . . 39.36 111.535 -171.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 54.6 mt -123.05 123.96 69.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 N-CA-C 107.905 -1.146 . . . . 31.04 107.905 -175.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.6 mt -114.96 120.48 64.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 N-CA-C 107.387 -1.338 . . . . 27.54 107.387 174.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -95.41 138.84 32.54 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.553 -0.906 . . . . 32.15 108.553 176.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -134.07 162.38 24.49 Favored Glycine 0 N--CA 1.439 -1.116 0 CA-C-O 121.943 0.746 . . . . 21.24 111.601 -168.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -144.68 167.72 21.88 Favored 'General case' 0 C--O 1.163 -3.452 0 C-N-CA 124.694 1.198 . . . . 50.17 110.519 178.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.93 139.47 27.61 Favored 'General case' 0 C--N 1.313 -1.004 0 O-C-N 121.086 -1.009 . . . . 30.2 109.023 175.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 26.4 mtp-105 -64.5 132.75 50.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.593 -0.73 . . . . 57.88 109.093 176.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.77 14.43 67.64 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-O 119.133 -0.815 . . . . 46.68 114.812 -178.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -129.61 143.47 50.84 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 118.278 1.039 . . . . 56.1 109.311 179.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -89.06 -29.71 19.22 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.972 -0.558 . . . . 33.53 110.525 172.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -76.27 159.99 30.08 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-O 122.239 1.019 . . . . 35.35 109.988 177.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -115.68 -177.86 3.25 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 125.08 1.352 . . . . 41.02 108.048 178.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -144.6 164.68 30.21 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.292 -0.633 . . . . 31.26 109.292 -172.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 4.6 p -149.16 144.22 18.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-O 121.421 0.629 . . . . 44.95 109.45 -179.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 32.5 t -121.8 125.97 73.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 107.804 -1.184 . . . . 26.15 107.804 172.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -103.87 120.02 40.14 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 106.557 -1.646 . . . . 33.66 106.557 172.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 58.5 p -105.93 8.27 32.47 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 113.946 1.091 . . . . 31.13 113.946 -172.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 78.7 mmt-85 -114.04 170.45 8.27 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.569 -1.271 . . . . 51.46 107.569 168.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -63.94 143.44 98.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 C-N-CA 119.562 -0.855 . . . . 39.89 110.84 -178.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -67.63 132.31 18.53 Favored 'Cis proline' 0 CA--C 1.531 0.368 0 C-N-CA 125.403 -0.665 . . . . 36.82 111.658 -24.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -85.02 141.53 30.23 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 118.274 0.488 . . . . 43.32 110.425 -177.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -162.56 162.54 27.31 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 117.5 -1.68 . . . . 27.25 111.722 -179.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 35.3 tp -107.13 142.56 36.61 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 106.662 -1.607 . . . . 26.32 106.662 166.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -149.79 159.61 44.22 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 119.532 -0.867 . . . . 29.24 110.085 177.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 45.5 ttm-85 -94.54 138.73 32.08 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.706 -1.134 . . . . 28.99 109.388 171.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -117.03 119.85 36.56 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 106.693 -1.595 . . . . 34.88 106.693 -174.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 93.9 p -136.97 170.35 16.26 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.224 0.535 . . . . 37.3 110.277 -178.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -133.26 127.6 34.02 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 113.114 0.783 . . . . 39.33 113.114 -166.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.498 ' HB2' ' HA2' ' B' ' 73' ' ' GLY . 72.9 m-20 -53.73 167.76 0.23 Allowed 'General case' 0 C--O 1.236 0.343 0 N-CA-C 116.813 2.153 . . . . 62.23 116.813 162.45 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -71.84 -25.03 61.8 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.348 -0.842 . . . . 73.77 111.935 159.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.407 ' H ' ' HB3' ' B' ' 41' ' ' ASP . 11.7 m120 -65.54 -2.32 3.32 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 116.151 1.908 . . . . 76.81 116.151 171.629 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -84.12 114.98 22.15 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 118.704 0.684 . . . . 48.63 111.523 -169.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 19.5 p -93.36 -57.12 2.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.073 -0.512 . . . . 65.64 110.946 177.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.86 -7.5 27.6 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 123.712 0.672 . . . . 51.83 112.741 -176.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -73.5 144.32 46.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 117.306 0.553 . . . . 89.12 109.95 177.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' MET . . . . . 0.426 ' SD ' ' HG2' ' B' ' 110' ' ' MET . 0.5 OUTLIER -76.8 133.97 69.33 Favored Pre-proline 0 C--O 1.196 -1.749 0 N-CA-C 109.038 -0.727 . . . . 101.63 109.038 177.225 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -72.65 148.67 47.61 Favored 'Trans proline' 0 CA--C 1.497 -1.35 1 C-N-CA 126.954 5.103 . . . . 76.99 111.348 -178.826 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.97 -46.26 85.44 Favored 'General case' 0 CA--C 1.466 -2.25 0 CA-C-O 121.756 0.789 . . . . 80.95 109.999 -178.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -91.91 162.39 30.99 Favored Pre-proline 0 N--CA 1.425 -1.688 0 CA-C-N 114.71 -1.132 . . . . 81.61 108.495 178.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -64.44 148.5 90.74 Favored 'Trans proline' 0 CA--C 1.494 -1.52 0 C-N-CA 120.735 0.957 . . . . 63.2 111.225 179.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -62.21 142.11 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.654 0 CA-C-O 123.485 1.612 . . . . 58.5 111.889 179.903 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -148.3 87.2 1.58 Allowed 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 113.678 -1.601 . . . . 60.84 106.742 -172.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' GLY . . . . . 0.44 ' O ' ' HE3' ' B' ' 98' ' ' LYS . . . -90.37 -169.74 43.3 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-O 122.502 1.057 . . . . 43.16 113.766 -175.853 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -140.87 139.39 34.4 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 114.606 -0.797 . . . . 76.47 109.8 -174.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 25.0 mt -90.35 151.56 21.41 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.326 -0.99 . . . . 46.48 108.326 170.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.64 -179.17 39.16 Favored Glycine 0 CA--C 1.506 -0.496 0 C-N-CA 117.62 -2.228 . . . . 38.77 112.182 178.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.403 ' HB2' ' HA ' ' C' ' 45' ' ' VAL . 58.4 mt-30 -105.23 135.64 46.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.348 -0.926 . . . . 54.49 109.989 176.903 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 7.6 tt -149.99 151.61 12.56 Favored 'Isoleucine or valine' 0 C--O 1.173 -2.94 0 N-CA-C 109.032 -0.729 . . . . 40.76 109.032 -179.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.82 168.42 14.84 Favored Glycine 0 C--O 1.19 -2.607 1 N-CA-C 124.514 4.566 . . . . 54.85 124.514 174.254 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' GLU . . . . . 1.392 ' CB ' ' HD3' ' B' ' 63' ' ' PRO . . . -56.09 -52.47 72.48 Favored Pre-proline 0 CA--C 1.469 -2.167 0 C-N-CA 125.187 1.395 . . . . 79.81 109.113 -174.506 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' PRO . . . . . 1.392 ' HD3' ' CB ' ' B' ' 62' ' ' GLU . 9.7 Cg_endo -113.15 122.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.311 -1.432 2 C-N-CA 140.418 14.079 . . . . 83.07 96.617 169.686 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 14.5 mtt85 -67.96 132.37 47.19 Favored 'General case' 0 C--O 1.184 -2.371 0 N-CA-C 116.277 1.954 . . . . 80.43 116.277 -175.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -131.35 159.02 39.16 Favored 'General case' 0 C--O 1.178 -2.699 0 N-CA-C 108.392 -0.966 . . . . 47.77 108.392 178.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 18.7 tp -74.67 141.58 44.57 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.416 0.627 . . . . 33.63 109.617 179.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.58 167.85 23.48 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 108.525 -0.917 . . . . 33.69 108.525 179.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -131.31 131.79 44.05 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.482 -0.781 . . . . 34.55 109.094 -176.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -117.92 114.36 23.1 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 106.792 -1.559 . . . . 43.8 106.792 -179.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' SER . . . . . . . . . . . . . 52.5 p -66.43 -16.16 63.89 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 119.593 -0.843 . . . . 44.35 112.392 179.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 64.15 14.09 8.33 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 124.094 0.958 . . . . 59.83 111.468 -169.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 40.7 mt -122.44 11.18 9.93 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 112.482 0.549 . . . . 55.94 112.482 171.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' GLY . . . . . 0.498 ' HA2' ' HB2' ' B' ' 41' ' ' ASP . . . 102.83 -14.69 56.03 Favored Glycine 0 N--CA 1.442 -0.926 0 CA-C-O 119.215 -0.77 . . . . 38.57 114.356 -179.355 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 10.3 tt -92.96 130.32 38.58 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 118.265 1.032 . . . . 33.81 109.796 178.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -118.54 140.09 50.43 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.259 1.024 . . . . 44.98 110.227 176.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 95.2 mt -114.46 133.25 55.89 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.618 -0.882 . . . . 31.27 108.618 168.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 97.8 p -148.64 177.33 9.59 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.503 0.668 . . . . 33.58 110.006 -173.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 53.44 43.03 31.88 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.196 -0.911 . . . . 38.59 112.222 179.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -55.38 136.28 49.5 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.952 -0.567 . . . . 29.78 111.003 -177.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 46.2 mt -128.72 113.68 30.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 107.768 -1.197 . . . . 39.39 107.768 167.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' MET . . . . . . . . . . . . . 18.7 mmt -76.33 135.02 39.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.077 0.465 . . . . 38.49 110.331 179.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 63.7 mt -106.35 -5.1 19.29 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 113.486 0.921 . . . . 38.18 113.486 -174.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -74.03 163.22 28.16 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 122.13 0.967 . . . . 46.51 111.364 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -80.43 -28.99 37.6 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 114.97 -1.014 . . . . 69.69 112.932 -173.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -123.84 142.19 51.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 118.238 0.472 . . . . 77.57 110.63 -170.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' LYS . . . . . 0.655 ' HG3' HG11 ' C' ' 27' ' ' VAL . 83.1 mttt -70.27 153.52 95.15 Favored Pre-proline 0 N--CA 1.448 -0.541 0 CA-C-N 115.902 -0.59 . . . . 66.67 109.688 170.678 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -71.36 144.96 47.03 Favored 'Trans proline' 0 C--N 1.33 -0.396 0 C-N-CA 120.436 0.758 . . . . 48.96 112.853 -173.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . . . -68.16 -48.91 64.03 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 114.717 -1.129 . . . . 54.81 110.509 172.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -113.55 112.33 23.37 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 123.298 0.639 . . . . 65.73 109.507 -175.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' MET . . . . . 0.856 ' SD ' HD13 ' C' ' 19' ' ' ILE . 67.3 mmm -65.3 -39.07 92.04 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.022 -0.535 . . . . 84.81 112.437 -178.044 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.46 ' HG3' HD22 ' C' ' 41' ' ' LEU . 51.7 mt-10 -60.79 -46.15 91.62 Favored 'General case' 0 C--O 1.244 0.769 0 C-N-CA 120.1 -0.64 . . . . 83.96 110.51 -179.734 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -61.41 -44.97 96.22 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.234 0.54 . . . . 73.51 110.168 178.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -58.64 -51.25 70.71 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.186 -0.461 . . . . 45.02 112.115 -179.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 48.5 mt -56.38 -42.16 77.42 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 120.472 -0.491 . . . . 49.1 111.986 176.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.94 -46.29 94.86 Favored Glycine 0 C--N 1.338 0.641 0 C-N-CA 119.148 -1.501 . . . . 36.02 112.492 177.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -65.44 -39.28 91.89 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 122.344 -0.504 . . . . 54.22 111.073 -178.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 55.4 tp -62.75 -45.21 93.77 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 120.83 0.347 . . . . 36.27 111.202 178.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' LYS . . . . . 0.559 ' HE2' ' OD2' ' B' ' 102' ' ' ASP . 5.9 tmtt? -69.12 -36.74 77.82 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 119.743 -0.783 . . . . 50.04 110.986 -177.305 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.68 -45.5 91.9 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 120.146 -0.622 . . . . 44.95 111.474 172.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.63 94.99 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.468 -0.493 . . . . 38.9 111.257 178.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' CYS . . . . . . . . . . . . . 89.5 m -62.14 -40.28 95.42 Favored 'General case' 0 C--O 1.239 0.5 0 N-CA-C 111.981 0.363 . . . . 36.73 111.981 177.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' ASP . . . . . 0.559 ' OD2' ' HE2' ' B' ' 98' ' ' LYS . 82.3 m-20 -61.09 -46.05 92.22 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 119.794 -0.763 . . . . 41.46 111.034 177.133 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' ARG . . . . . . . . . . . . . 96.5 mtm-85 -59.86 -39.86 86.65 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.376 -0.529 . . . . 52.74 111.352 176.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 51.4 mt -63.65 -40.61 89.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 C-N-CA 120.177 -0.609 . . . . 31.87 110.684 179.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.03 -44.96 87.38 Favored 'General case' 0 C--O 1.24 0.604 0 C-N-CA 119.568 -0.853 . . . . 36.3 111.136 179.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.35 -39.08 91.96 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 119.679 -0.809 . . . . 38.68 111.125 177.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -64.37 -36.89 85.6 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 122.203 -0.311 . . . . 43.02 111.283 179.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.43 -33.64 73.26 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.07 -0.652 . . . . 48.21 110.665 176.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 76.3 mt -66.05 -42.81 89.02 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 119.924 -0.711 . . . . 51.56 111.624 177.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' MET . . . . . 0.426 ' HG2' ' SD ' ' B' ' 48' ' ' MET . 31.3 mtm -75.61 -28.13 58.75 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 118.999 -1.08 . . . . 89.24 111.56 -179.386 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.415 HD13 ' HG3' ' A' ' 19' ' ' ARG . 51.7 tp -61.78 -45.26 94.65 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.341 -0.544 . . . . 53.42 111.334 178.013 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' ASN . . . . . 0.436 ' O ' ' HB2' ' B' ' 113' ' ' GLU . 7.5 m120 -93.8 19.63 8.6 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.478 0.918 . . . . 66.53 113.478 179.541 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' B' ' 112' ' ' ASN . 2.6 mt-10 . . . . . 0 N--CA 1.491 1.612 0 C-N-CA 130.292 3.437 . . . . 83.97 109.612 170.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.253 0 CA-C-O 121.373 0.606 . . . . 81.02 112.02 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' ILE . . . . . 0.496 HG12 ' HB3' ' C' ' 20' ' ' ALA 0.289 2.5 tt -64.81 -39.4 85.53 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.708 0 N-CA-C 116.401 2.001 . . . . 87.46 116.401 -177.462 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.09 -124.12 25.01 Favored Glycine 0 C--O 1.189 -2.712 0 N-CA-C 116.611 1.404 . . . . 76.24 116.611 -179.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' ILE . . . . . 0.856 HD13 ' SD ' ' B' ' 90' ' ' MET . 5.3 tp -54.81 -26.21 16.68 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.303 0 O-C-N 122.283 -0.54 . . . . 52.31 112.226 178.574 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' ALA . . . . . 0.496 ' HB3' HG12 ' C' ' 17' ' ' ILE . . . -85.94 10.81 12.91 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 113.099 0.777 . . . . 45.32 113.099 -179.886 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 34.6 p -76.79 -3.7 39.66 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 118.6 0.636 . . . . 56.52 112.267 172.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 23.2 m -126.99 157.95 38.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 108.221 -1.029 . . . . 47.74 108.221 170.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.12 153.72 47.06 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 119.87 -1.157 . . . . 35.19 111.098 171.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' TRP . . . . . . . . . . . . . 90.0 m95 -128.66 115.38 17.94 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.12 -1.437 . . . . 41.0 107.12 174.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.77 -30.25 45.53 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.075 -0.65 . . . . 50.3 111.638 -173.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' MET . . . . . . . . . . . . . 13.4 mmt -110.2 -12.15 14.5 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 113.933 1.086 . . . . 71.93 113.933 -174.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.655 HG11 ' HG3' ' B' ' 86' ' ' LYS . 21.2 t -103.0 136.85 33.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 108.922 -0.77 . . . . 76.8 108.922 -172.038 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.359 0 CA-C-N 115.743 -0.662 . . . . 72.13 109.803 178.166 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' ASN . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.201 0 N-CA-C 108.955 -0.757 . . . . 100.52 108.955 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 35' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -93.48 19.55 0.8 Allowed 'Trans proline' 0 C--O 1.194 -1.7 1 C-N-CA 126.574 4.849 . . . . 91.55 112.417 -176.334 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 9.6 tt -59.43 135.02 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.305 0 CA-C-O 121.994 0.902 . . . . 50.27 109.158 177.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -100.35 161.56 13.52 Favored 'General case' 0 C--O 1.181 -2.523 0 N-CA-C 112.798 0.666 . . . . 49.43 112.798 -177.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 82.4 mt -58.07 -32.1 67.72 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.875 -0.33 . . . . 44.45 111.047 176.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 5.8 tt -72.2 -24.31 22.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 N-CA-C 111.624 0.231 . . . . 64.17 111.624 -178.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -74.65 -11.25 60.14 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 112.071 0.397 . . . . 39.55 112.071 169.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 41' ' ' LEU . . . . . 0.46 HD22 ' HG3' ' B' ' 91' ' ' GLU . 89.4 mt -113.34 13.4 19.04 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 112.888 0.699 . . . . 44.73 112.888 -173.021 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.72 5.62 87.95 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 115.919 1.128 . . . . 43.53 115.919 178.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 43' ' ' VAL . . . . . . . . . . . . . 97.5 t -93.89 109.34 21.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 118.7 1.25 . . . . 43.75 107.822 -171.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 49.3 ptt85 -83.87 175.87 9.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.972 0.892 . . . . 59.46 111.627 -171.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 45' ' ' VAL . . . . . 0.403 ' HA ' ' HB2' ' B' ' 59' ' ' GLN . 44.3 t -97.37 130.82 45.48 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.357 0 N-CA-C 105.229 -2.138 . . . . 51.83 105.229 178.768 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 46' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -69.99 151.12 45.94 Favored 'General case' 0 C--O 1.2 -1.5 0 CA-C-O 121.86 0.838 . . . . 57.91 110.951 -179.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 47' ' ' GLU . . . . . 0.688 ' CD ' ' H ' ' C' ' 47' ' ' GLU . 0.1 OUTLIER -66.16 -39.5 89.83 Favored 'General case' 0 C--O 1.202 -1.399 0 CA-C-N 115.829 -0.623 . . . . 89.31 112.255 178.383 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 48' ' ' ARG . . . . . 0.599 ' NH1' ' O ' ' C' ' 101' ' ' HOH . 0.3 OUTLIER -64.26 141.98 58.58 Favored 'General case' 0 C--O 1.18 -2.577 0 N-CA-C 114.24 1.2 . . . . 55.17 114.24 178.898 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.08 -36.93 66.91 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 122.052 -0.405 . . . . 53.59 111.885 177.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -139.47 155.42 47.58 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 118.311 0.505 . . . . 68.66 110.656 -171.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 51' ' ' VAL . . . . . . . . . . . . . 77.0 t -67.83 133.04 92.26 Favored Pre-proline 0 C--O 1.242 0.709 0 N-CA-C 108.977 -0.749 . . . . 38.56 108.977 175.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 52' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -62.95 150.55 88.2 Favored 'Trans proline' 0 C--N 1.331 -0.369 0 CA-C-N 119.113 0.719 . . . . 40.41 111.94 -175.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 53' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -114.15 126.71 55.38 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 114.985 -1.007 . . . . 57.26 108.41 177.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 54' ' ' THR . . . . . . . . . . . . . 30.1 m -60.87 125.23 22.95 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.103 -0.499 . . . . 34.05 110.756 -173.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 55' ' ' GLY . . . . . . . . . . . . . . . -72.63 164.96 54.67 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-O 122.292 0.94 . . . . 34.71 112.755 179.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 56' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -64.36 -40.87 96.71 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 114.709 -0.745 . . . . 47.05 112.163 -168.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 57' ' ' SER . . . . . . . . . . . . . 43.7 t -67.22 -53.87 26.17 Favored 'General case' 0 C--O 1.242 0.699 0 O-C-N 121.952 -0.467 . . . . 43.43 111.301 -172.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 49.4 tp -56.72 -43.11 80.28 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 120.687 0.28 . . . . 35.38 111.239 174.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.29 96.2 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.834 -0.346 . . . . 39.04 111.255 -177.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 60' ' ' MET . . . . . . . . . . . . . 11.2 ptt? -72.75 -38.75 67.26 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 120.19 -0.604 . . . . 43.63 111.009 -177.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.18 -49.32 76.34 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 119.415 -0.914 . . . . 39.73 111.167 172.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 62' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -68.24 -31.48 70.99 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 119.835 -0.746 . . . . 37.07 111.539 -177.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 44.5 ttm105 -66.46 -41.37 89.16 Favored 'General case' 0 C--O 1.24 0.576 0 O-C-N 122.146 -0.347 . . . . 39.33 110.985 177.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 64' ' ' LEU . . . . . . . . . . . . . 20.2 tp -59.85 -43.82 94.44 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 119.815 -0.754 . . . . 35.66 111.186 173.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.72 -41.73 98.01 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 119.456 -0.897 . . . . 35.11 111.482 179.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -61.07 -43.89 98.2 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.596 -0.442 . . . . 38.03 111.382 176.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 67' ' ' SER . . . . . . . . . . . . . 3.6 m -59.81 -43.23 94.61 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 120.448 -0.501 . . . . 41.88 111.174 178.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 68' ' ' VAL . . . . . . . . . . . . . 80.1 t -62.86 -48.04 89.95 Favored 'Isoleucine or valine' 0 C--O 1.244 0.778 0 CA-C-O 121.175 0.512 . . . . 41.83 110.587 -179.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 69' ' ' ARG . . . . . 0.416 HH12 ' ND2' ' B' ' 112' ' ' ASN . 3.6 ttp180 -56.27 -46.22 79.77 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 122.012 -0.43 . . . . 46.41 111.048 177.594 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 70' ' ' ARG . . . . . . . . . . . . . 26.7 ttm105 -60.2 -44.07 95.4 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.94 -0.304 . . . . 59.17 111.581 -179.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.546 ' HB3' ' HB1' ' A' ' 115' ' ' ALA . 1.4 pp -71.52 -31.33 66.93 Favored 'General case' 0 C--O 1.243 0.746 0 C-N-CA 118.764 -1.174 . . . . 65.74 111.494 -175.409 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 67.0 m -58.76 -52.06 67.32 Favored 'General case' 0 C--O 1.242 0.697 0 C-N-CA 119.771 -0.771 . . . . 67.16 110.754 167.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 73' ' ' ARG . . . . . . . . . . . . . 39.1 mtm-85 -49.74 -51.87 35.78 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 120.906 0.384 . . . . 63.38 111.329 177.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 74' ' ' ARG . . . . . 0.544 ' NH1' ' HB2' ' A' ' 112' ' ' ASN . 84.7 mtt180 -81.46 -25.09 36.36 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 113.304 0.853 . . . . 77.54 113.304 -164.815 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 75' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -74.25 -32.99 63.17 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 118.176 -1.409 . . . . 93.04 110.374 168.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.99 -21.57 66.87 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.747 0.647 . . . . 86.22 112.747 178.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 77' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 C-N-CA 122.877 0.471 . . . . 89.19 110.389 176.444 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . 0.582 ' O ' ' NH1' ' A' ' 103' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' HOH . . . . . 0.599 ' O ' ' NH1' ' C' ' 48' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_