data_2cro_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2cro _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 4.7 ttp . . . . . 0 C--O 1.243 0.739 0 N-CA-C 109.069 -0.715 . . . . 59.76 109.069 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 0' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -88.68 -3.37 58.8 Favored 'General case' 0 C--O 1.245 0.821 0 O-C-N 125.071 1.482 . . . . 60.52 113.661 -178.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' THR . . . . . 0.474 ' CG2' ' CG ' ' A' ' 4' ' ' GLU . 1.7 t -111.92 150.57 30.3 Favored 'General case' 0 C--O 1.249 1.034 0 N-CA-C 106.614 -1.624 . . . . 51.39 106.614 177.829 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 tp -56.92 -41.8 78.83 Favored 'General case' 0 C--O 1.246 0.889 0 C-N-CA 124.484 1.114 . . . . 44.02 113.438 179.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.5 p -64.22 -36.19 83.28 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.08 -0.711 . . . . 40.19 109.08 179.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . 0.474 ' CG ' ' CG2' ' A' ' 1' ' ' THR . 42.5 mt-10 -72.83 -39.75 66.34 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 123.944 1.83 . . . . 50.92 112.706 -179.323 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -68.9 -43.72 74.66 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 111.26 -2.7 . . . . 37.54 109.408 -179.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.99 -38.98 72.69 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-O 118.004 -0.998 . . . . 27.18 112.541 -179.43 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -66.46 -46.68 75.57 Favored 'General case' 0 C--N 1.312 -1.048 0 O-C-N 125.676 1.86 . . . . 35.19 110.673 -179.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.75 -46.02 91.39 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 124.623 1.202 . . . . 32.68 111.709 178.547 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -68.59 -43.44 76.5 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 119.015 0.825 . . . . 20.97 109.793 179.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ARG . . . . . 0.585 ' NE ' ' OE1' ' A' ' 35' ' ' GLU . 53.3 ttp85 -53.19 -49.79 65.98 Favored 'General case' 0 C--O 1.25 1.087 0 CA-C-O 122.621 1.2 . . . . 20.95 109.193 177.837 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.3 mt -68.97 -29.79 44.52 Favored 'Isoleucine or valine' 0 C--O 1.245 0.836 0 CA-C-N 113.873 -1.512 . . . . 26.0 113.095 -178.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.47 -33.33 73.98 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-O 125.222 2.439 . . . . 25.21 108.895 178.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mp -87.3 8.85 22.48 Favored 'General case' 0 C--N 1.315 -0.933 0 O-C-N 118.694 -2.504 . . . . 23.7 111.545 179.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.62 44.81 29.25 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-O 115.476 -2.202 . . . . 29.39 113.101 179.731 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 47.3 mtt -116.63 155.75 28.23 Favored 'General case' 0 C--N 1.314 -0.967 0 O-C-N 125.364 1.665 . . . . 26.0 109.975 -179.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.4 p -95.72 165.1 12.47 Favored 'General case' 0 C--O 1.252 1.228 0 CA-C-N 110.464 -3.062 . . . . 27.17 105.395 177.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -65.26 -29.53 70.31 Favored 'General case' 0 C--N 1.31 -1.126 0 O-C-N 125.263 1.602 . . . . 29.8 111.518 -179.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.3 m -70.19 -45.29 66.97 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 113.267 -1.788 . . . . 26.15 111.178 -179.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -69.56 -37.29 76.96 Favored 'General case' 0 C--O 1.246 0.869 0 O-C-N 126.818 2.574 . . . . 34.62 108.609 178.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -52.34 65.67 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 105.234 -2.136 . . . . 25.06 105.234 179.995 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.27 -50.55 64.62 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 116.946 -1.502 . . . . 21.48 112.052 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.5 m -57.9 -57.73 11.52 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 119.32 0.964 . . . . 22.95 110.319 -179.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -57.28 -27.71 62.37 Favored 'General case' 0 C--O 1.253 1.278 0 N-CA-C 116.868 2.173 . . . . 28.29 116.868 179.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.28 -20.67 18.98 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 123.785 0.834 . . . . 24.01 110.023 -178.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.49 38.11 45.25 Favored Glycine 0 C--N 1.316 -0.57 0 CA-C-O 117.528 -1.706 . . . . 29.73 113.233 179.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.1 m -125.66 172.86 12.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 107.384 -1.339 . . . . 34.4 107.384 178.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -74.85 138.37 42.46 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.822 -1.081 . . . . 44.89 109.479 -179.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.26 -23.7 66.84 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 113.751 -1.568 . . . . 44.06 111.583 178.873 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -77.11 -14.46 59.8 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 125.712 1.605 . . . . 43.61 107.731 178.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 m -80.35 -33.95 36.92 Favored 'General case' 0 C--O 1.243 0.753 0 O-C-N 124.681 1.238 . . . . 36.83 110.133 179.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.6 mm -73.0 -47.03 49.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 O-C-N 126.238 2.211 . . . . 29.69 112.128 179.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -54.8 -48.76 72.34 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 124.421 1.088 . . . . 37.58 108.755 179.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.01 -38.11 81.68 Favored 'General case' 0 C--O 1.252 1.228 0 O-C-N 125.037 1.461 . . . . 31.81 111.88 179.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.3 mt -72.29 -49.96 39.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 N-CA-C 106.728 -1.582 . . . . 29.26 106.728 179.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . 0.585 ' OE1' ' NE ' ' A' ' 10' ' ' ARG . 96.6 mt-10 -65.73 -30.84 71.56 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 125.198 1.561 . . . . 34.39 111.99 -178.608 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.0 7.92 14.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.879 0.309 . . . . 35.72 110.547 178.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.38 11.85 65.39 Favored Glycine 0 C--O 1.252 1.241 0 C-N-CA 127.658 2.551 . . . . 37.82 118.849 179.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.5 t -71.84 -56.61 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 118.808 1.304 . . . . 39.3 110.071 179.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 120' ' ' HOH . 0.2 OUTLIER -87.2 107.83 18.65 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 124.608 2.147 . . . . 41.68 110.623 179.739 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LYS . . . . . 0.558 ' CB ' ' NZ ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -82.43 -36.45 26.63 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 113.134 -1.848 . . . . 49.71 110.834 -179.468 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ARG . . . . . 0.667 ' N ' ' O ' ' A' ' 120' ' ' HOH . 0.0 OUTLIER -120.66 86.39 40.25 Favored Pre-proline 0 C--N 1.316 -0.854 0 O-C-N 125.879 1.987 . . . . 54.18 110.559 179.877 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -63.28 138.06 64.29 Favored 'Trans proline' 0 C--O 1.244 0.823 0 O-C-N 124.949 2.026 . . . . 42.42 114.25 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.1 ttp85 -66.54 -49.07 67.69 Favored 'General case' 0 C--O 1.25 1.109 0 CA-C-N 114.234 -1.348 . . . . 48.13 111.629 179.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -101.48 47.53 0.91 Allowed 'General case' 0 C--O 1.252 1.227 0 CA-C-O 117.054 -1.45 . . . . 41.13 113.918 179.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.7 tp -57.91 -39.8 78.83 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 119.626 1.103 . . . . 29.15 113.028 -179.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -56.99 -56.93 15.35 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 114.424 -1.262 . . . . 25.56 111.484 -179.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.4 mp0 -59.85 -42.25 93.21 Favored 'General case' 0 C--O 1.246 0.9 0 C-N-CA 124.554 1.142 . . . . 29.48 109.638 179.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.67 -45.17 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 125.826 1.954 . . . . 18.83 109.783 179.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.03 -39.2 93.57 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 126.604 1.962 . . . . 18.53 110.406 179.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 33.4 mmt -61.88 -47.52 84.63 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.324 -1.362 . . . . 19.39 107.324 179.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.92 -27.14 68.61 Favored 'General case' 0 C--O 1.25 1.127 0 N-CA-C 113.768 1.025 . . . . 15.64 113.768 179.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.4 mt -94.95 9.18 40.34 Favored 'General case' 0 C--O 1.248 0.978 0 C-N-CA 125.761 1.624 . . . . 17.34 112.101 179.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.3 m120 44.74 54.54 6.57 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 117.177 -1.392 . . . . 22.69 111.831 178.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 22.9 p -145.27 173.51 11.9 Favored 'General case' 0 C--N 1.309 -1.192 0 O-C-N 125.211 1.569 . . . . 20.62 108.973 -178.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -83.23 126.82 71.08 Favored Pre-proline 0 C--N 1.311 -1.097 0 CA-C-N 114.138 -1.392 . . . . 34.72 108.441 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -56.64 -41.51 75.06 Favored 'Trans proline' 0 C--O 1.245 0.828 0 O-C-N 124.596 1.84 . . . . 26.83 111.895 179.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 41.4 t -59.17 -51.62 70.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 N-CA-C 105.977 -1.86 . . . . 30.1 105.977 179.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 55.8 t90 -54.3 -43.82 71.43 Favored 'General case' 0 C--O 1.252 1.194 0 O-C-N 124.139 0.9 . . . . 30.7 111.22 179.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.4 tp -64.28 -44.89 90.27 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-N 114.882 -1.054 . . . . 29.64 112.414 -179.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -72.24 -45.44 60.23 Favored 'General case' 0 C--O 1.244 0.799 0 N-CA-C 114.958 1.466 . . . . 36.21 114.958 -177.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -106.13 -18.7 13.94 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 117.692 2.479 . . . . 31.99 117.692 -178.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.13 17.88 60.27 Favored Glycine 0 C--O 1.257 1.567 0 N-CA-C 115.605 1.002 . . . . 34.48 115.605 -179.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' THR . . . . . 0.549 ' O ' ' OG1' ' A' ' 63' ' ' THR . 61.8 p . . . . . 0 C--O 1.275 2.444 1 CA-C-O 110.634 -4.507 . . . . 29.48 109.562 179.403 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . 0.667 ' O ' ' N ' ' A' ' 41' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -1' ' ' MET . . . . . 0.467 ' HA ' ' HB3' ' A' ' 4' ' ' GLU . 4.7 ttp . . . . . 0 C--O 1.243 0.739 0 N-CA-C 109.069 -0.715 . . . . 59.759999999999998 109.069 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 0' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -88.68 -3.37 58.8 Favored 'General case' 0 C--O 1.245 0.821 0 O-C-N 125.071 1.482 . . . . 60.520000000000003 113.661 -178.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' THR . . . . . 0.849 HG22 ' CG ' ' A' ' 4' ' ' GLU . 1.7 t -111.92 150.57 30.3 Favored 'General case' 0 C--O 1.249 1.034 0 N-CA-C 106.614 -1.624 . . . . 51.390000000000001 106.614 177.829 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 tp -56.92 -41.8 78.83 Favored 'General case' 0 C--O 1.246 0.889 0 C-N-CA 124.484 1.114 . . . . 44.020000000000003 113.438 179.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' SER . . . . . 0.407 ' HB3' ' O ' ' A' ' 34' ' ' ILE . 92.5 p -64.22 -36.19 83.28 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.08 -0.711 . . . . 40.189999999999998 109.08 179.432 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . 0.849 ' CG ' HG22 ' A' ' 1' ' ' THR . 42.5 mt-10 -72.83 -39.75 66.34 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 123.944 1.83 . . . . 50.920000000000002 112.706 -179.323 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -68.9 -43.72 74.66 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 111.26 -2.7 . . . . 37.539999999999999 109.408 -179.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . 0.709 HD13 HD11 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -70.99 -38.98 72.69 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-O 118.004 -0.998 . . . . 27.18 112.541 -179.43 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -66.46 -46.68 75.57 Favored 'General case' 0 C--N 1.312 -1.048 0 O-C-N 125.676 1.86 . . . . 35.189999999999998 110.673 -179.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.75 -46.02 91.39 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 124.623 1.202 . . . . 32.68 111.709 178.547 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -68.59 -43.44 76.5 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 119.015 0.825 . . . . 20.969999999999999 109.793 179.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ARG . . . . . 0.411 ' NE ' ' OE1' ' A' ' 35' ' ' GLU . 53.3 ttp85 -53.19 -49.79 65.98 Favored 'General case' 0 C--O 1.25 1.087 0 CA-C-O 122.621 1.2 . . . . 20.949999999999999 109.193 177.837 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.3 mt -68.97 -29.79 44.52 Favored 'Isoleucine or valine' 0 C--O 1.245 0.836 0 CA-C-N 113.873 -1.512 . . . . 26.0 113.095 -178.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.47 -33.33 73.98 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-O 125.222 2.439 . . . . 25.210000000000001 108.895 178.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mp -87.3 8.85 22.48 Favored 'General case' 0 C--N 1.315 -0.933 0 O-C-N 118.694 -2.504 . . . . 23.699999999999999 111.545 179.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.62 44.81 29.25 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-O 115.476 -2.202 . . . . 29.390000000000001 113.101 179.731 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 47.3 mtt -116.63 155.75 28.23 Favored 'General case' 0 C--N 1.314 -0.967 0 O-C-N 125.364 1.665 . . . . 26.0 109.975 -179.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' THR . . . . . 0.411 ' OG1' ' HG3' ' A' ' 19' ' ' GLU . 65.4 p -95.72 165.1 12.47 Favored 'General case' 0 C--O 1.252 1.228 0 CA-C-N 110.464 -3.062 . . . . 27.170000000000002 105.395 177.461 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -65.26 -29.53 70.31 Favored 'General case' 0 C--N 1.31 -1.126 0 O-C-N 125.263 1.602 . . . . 29.800000000000001 111.518 -179.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' THR . . . . . 0.479 ' HA ' ' HG3' ' A' ' 28' ' ' GLN . 52.3 m -70.19 -45.29 66.97 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 113.267 -1.788 . . . . 26.149999999999999 111.178 -179.461 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' HG3' ' OG1' ' A' ' 16' ' ' THR . 56.0 mt-10 -69.56 -37.29 76.96 Favored 'General case' 0 C--O 1.246 0.869 0 O-C-N 126.818 2.574 . . . . 34.619999999999997 108.609 178.17 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . 0.782 HD13 HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -60.29 -52.34 65.67 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 105.234 -2.136 . . . . 25.059999999999999 105.234 179.995 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.27 -50.55 64.62 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 116.946 -1.502 . . . . 21.48 112.052 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.5 m -57.9 -57.73 11.52 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 119.32 0.964 . . . . 22.949999999999999 110.319 -179.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -57.28 -27.71 62.37 Favored 'General case' 0 C--O 1.253 1.278 0 N-CA-C 116.868 2.173 . . . . 28.289999999999999 116.868 179.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.28 -20.67 18.98 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 123.785 0.834 . . . . 24.010000000000002 110.023 -178.871 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.49 38.11 45.25 Favored Glycine 0 C--N 1.316 -0.57 0 CA-C-O 117.528 -1.706 . . . . 29.73 113.233 179.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.1 m -125.66 172.86 12.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 107.384 -1.339 . . . . 34.399999999999999 107.384 178.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . 0.522 ' O ' ' HB2' ' A' ' 30' ' ' SER . 74.8 mttt -74.85 138.37 42.46 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.822 -1.081 . . . . 44.890000000000001 109.479 -179.878 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLN . . . . . 0.479 ' HG3' ' HA ' ' A' ' 18' ' ' THR . 0.4 OUTLIER -62.26 -23.7 66.84 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 113.751 -1.568 . . . . 44.060000000000002 111.583 178.873 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 29' ' ' GLN . 35.6 tt0 -77.11 -14.46 59.8 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 125.712 1.605 . . . . 43.609999999999999 107.731 178.98 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' SER . . . . . 0.522 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 4.0 m -80.35 -33.95 36.92 Favored 'General case' 0 C--O 1.243 0.753 0 O-C-N 124.681 1.238 . . . . 36.829999999999998 110.133 179.658 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ILE . . . . . 0.782 HD12 HD13 ' A' ' 20' ' ' LEU . 12.6 mm -73.0 -47.03 49.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 O-C-N 126.238 2.211 . . . . 29.690000000000001 112.128 179.913 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 28' ' ' GLN . 35.3 mt-30 -54.8 -48.76 72.34 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 124.421 1.088 . . . . 37.579999999999998 108.755 179.423 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.01 -38.11 81.68 Favored 'General case' 0 C--O 1.252 1.228 0 O-C-N 125.037 1.461 . . . . 31.809999999999999 111.88 179.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 30' ' ' SER . 47.3 mt -72.29 -49.96 39.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 N-CA-C 106.728 -1.582 . . . . 29.260000000000002 106.728 179.337 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . 0.411 ' OE1' ' NE ' ' A' ' 10' ' ' ARG . 96.6 mt-10 -65.73 -30.84 71.56 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 125.198 1.561 . . . . 34.390000000000001 111.99 -178.608 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.0 7.92 14.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.879 0.309 . . . . 35.719999999999999 110.547 178.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.38 11.85 65.39 Favored Glycine 0 C--O 1.252 1.241 0 C-N-CA 127.658 2.551 . . . . 37.82 118.849 179.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.5 t -71.84 -56.61 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 118.808 1.304 . . . . 39.299999999999997 110.071 179.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' THR . . . . . 0.817 HG22 ' O ' ' A' ' 120' ' ' HOH . 0.2 OUTLIER -87.2 107.83 18.65 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 124.608 2.147 . . . . 41.68 110.623 179.739 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LYS . . . . . 0.745 ' HB3' ' NZ ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -82.43 -36.45 26.63 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 113.134 -1.848 . . . . 49.710000000000001 110.834 -179.468 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ARG . . . . . 0.965 ' HD3' ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -120.66 86.39 40.25 Favored Pre-proline 0 C--N 1.316 -0.854 0 O-C-N 125.879 1.987 . . . . 54.18 110.559 179.877 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PRO . . . . . 0.632 ' HG2' HD13 ' A' ' 45' ' ' LEU . 11.9 Cg_endo -63.28 138.06 64.29 Favored 'Trans proline' 0 C--O 1.244 0.823 0 O-C-N 124.949 2.026 . . . . 42.420000000000002 114.25 -179.886 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.1 ttp85 -66.54 -49.07 67.69 Favored 'General case' 0 C--O 1.25 1.109 0 CA-C-N 114.234 -1.348 . . . . 48.130000000000003 111.629 179.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -101.48 47.53 0.91 Allowed 'General case' 0 C--O 1.252 1.227 0 CA-C-O 117.054 -1.45 . . . . 41.130000000000003 113.918 179.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . 0.632 HD13 ' HG2' ' A' ' 42' ' ' PRO . 9.7 tp -57.91 -39.8 78.83 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 119.626 1.103 . . . . 29.149999999999999 113.028 -179.168 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -56.99 -56.93 15.35 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 114.424 -1.262 . . . . 25.559999999999999 111.484 -179.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.4 mp0 -59.85 -42.25 93.21 Favored 'General case' 0 C--O 1.246 0.9 0 C-N-CA 124.554 1.142 . . . . 29.48 109.638 179.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.67 -45.17 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 125.826 1.954 . . . . 18.829999999999998 109.783 179.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.03 -39.2 93.57 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 126.604 1.962 . . . . 18.530000000000001 110.406 179.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 33.4 mmt -61.88 -47.52 84.63 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.324 -1.362 . . . . 19.390000000000001 107.324 179.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.92 -27.14 68.61 Favored 'General case' 0 C--O 1.25 1.127 0 N-CA-C 113.768 1.025 . . . . 15.640000000000001 113.768 179.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LEU . . . . . 0.709 HD11 HD13 ' A' ' 6' ' ' LEU . 95.4 mt -94.95 9.18 40.34 Favored 'General case' 0 C--O 1.248 0.978 0 C-N-CA 125.761 1.624 . . . . 17.34 112.101 179.204 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 44.74 54.54 6.57 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 117.177 -1.392 . . . . 22.690000000000001 111.831 178.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 22.9 p -145.27 173.51 11.9 Favored 'General case' 0 C--N 1.309 -1.192 0 O-C-N 125.211 1.569 . . . . 20.620000000000001 108.973 -178.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASP . . . . . 0.481 ' OD1' ' HB ' ' A' ' 57' ' ' VAL . 8.0 t0 -83.23 126.82 71.08 Favored Pre-proline 0 C--N 1.311 -1.097 0 CA-C-N 114.138 -1.392 . . . . 34.719999999999999 108.441 179.87 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -56.64 -41.51 75.06 Favored 'Trans proline' 0 C--O 1.245 0.828 0 O-C-N 124.596 1.84 . . . . 26.829999999999998 111.895 179.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' VAL . . . . . 0.481 ' HB ' ' OD1' ' A' ' 55' ' ' ASP . 41.4 t -59.17 -51.62 70.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 N-CA-C 105.977 -1.86 . . . . 30.100000000000001 105.977 179.485 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 55.8 t90 -54.3 -43.82 71.43 Favored 'General case' 0 C--O 1.252 1.194 0 O-C-N 124.139 0.9 . . . . 30.699999999999999 111.22 179.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.4 tp -64.28 -44.89 90.27 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-N 114.882 -1.054 . . . . 29.640000000000001 112.414 -179.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLN . . . . . 0.472 ' HB2' HD21 ' A' ' 45' ' ' LEU . 40.9 tp60 -72.24 -45.44 60.23 Favored 'General case' 0 C--O 1.244 0.799 0 N-CA-C 114.958 1.466 . . . . 36.210000000000001 114.958 -177.909 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -106.13 -18.7 13.94 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 117.692 2.479 . . . . 31.989999999999998 117.692 -178.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.13 17.88 60.27 Favored Glycine 0 C--O 1.257 1.567 0 N-CA-C 115.605 1.002 . . . . 34.479999999999997 115.605 -179.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' THR . . . . . 0.532 ' O ' ' OG1' ' A' ' 63' ' ' THR . 61.8 p . . . . . 0 C--O 1.275 2.444 1 CA-C-O 110.634 -4.507 . . . . 29.48 109.562 179.403 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . 0.817 ' O ' HG22 ' A' ' 39' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -1' ' ' MET . . . . . 0.467 ' HA ' ' HB3' ' A' ' 4' ' ' GLU . 4.7 ttp . . . . . 0 C--O 1.243 0.739 0 N-CA-C 109.069 -0.715 . . . . 59.759999999999998 109.069 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -88.68 -3.37 58.8 Favored 'General case' 0 C--O 1.245 0.821 0 O-C-N 125.071 1.482 . . . . 60.520000000000003 113.661 -178.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' THR . . . . . 0.849 HG22 ' CG ' ' A' ' 4' ' ' GLU . 1.7 t -111.92 150.57 30.3 Favored 'General case' 0 C--O 1.249 1.034 0 N-CA-C 106.614 -1.624 . . . . 51.390000000000001 106.614 177.829 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.2 tp -56.92 -41.8 78.83 Favored 'General case' 0 C--O 1.246 0.889 0 C-N-CA 124.484 1.114 . . . . 44.020000000000003 113.438 179.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' SER . . . . . 0.407 ' HB3' ' O ' ' A' ' 34' ' ' ILE . 92.5 p -64.22 -36.19 83.28 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.08 -0.711 . . . . 40.189999999999998 109.08 179.432 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.849 ' CG ' HG22 ' A' ' 1' ' ' THR . 42.5 mt-10 -72.83 -39.75 66.34 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 123.944 1.83 . . . . 50.920000000000002 112.706 -179.323 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -68.9 -43.72 74.66 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 111.26 -2.7 . . . . 37.539999999999999 109.408 -179.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.709 HD13 HD11 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -70.99 -38.98 72.69 Favored 'General case' 0 C--O 1.246 0.896 0 CA-C-O 118.004 -0.998 . . . . 27.18 112.541 -179.43 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -66.46 -46.68 75.57 Favored 'General case' 0 C--N 1.312 -1.048 0 O-C-N 125.676 1.86 . . . . 35.189999999999998 110.673 -179.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.75 -46.02 91.39 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 124.623 1.202 . . . . 32.68 111.709 178.547 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -68.59 -43.44 76.5 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 119.015 0.825 . . . . 20.969999999999999 109.793 179.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.411 ' NE ' ' OE1' ' A' ' 35' ' ' GLU . 53.3 ttp85 -53.19 -49.79 65.98 Favored 'General case' 0 C--O 1.25 1.087 0 CA-C-O 122.621 1.2 . . . . 20.949999999999999 109.193 177.837 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.3 mt -68.97 -29.79 44.52 Favored 'Isoleucine or valine' 0 C--O 1.245 0.836 0 CA-C-N 113.873 -1.512 . . . . 26.0 113.095 -178.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.47 -33.33 73.98 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-O 125.222 2.439 . . . . 25.210000000000001 108.895 178.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mp -87.3 8.85 22.48 Favored 'General case' 0 C--N 1.315 -0.933 0 O-C-N 118.694 -2.504 . . . . 23.699999999999999 111.545 179.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.62 44.81 29.25 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-O 115.476 -2.202 . . . . 29.390000000000001 113.101 179.731 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 47.3 mtt -116.63 155.75 28.23 Favored 'General case' 0 C--N 1.314 -0.967 0 O-C-N 125.364 1.665 . . . . 26.0 109.975 -179.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' THR . . . . . 0.411 ' OG1' ' HG3' ' A' ' 19' ' ' GLU . 65.4 p -95.72 165.1 12.47 Favored 'General case' 0 C--O 1.252 1.228 0 CA-C-N 110.464 -3.062 . . . . 27.170000000000002 105.395 177.461 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -65.26 -29.53 70.31 Favored 'General case' 0 C--N 1.31 -1.126 0 O-C-N 125.263 1.602 . . . . 29.800000000000001 111.518 -179.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . 0.479 ' HA ' ' HG3' ' A' ' 28' ' ' GLN . 52.3 m -70.19 -45.29 66.97 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-N 113.267 -1.788 . . . . 26.149999999999999 111.178 -179.461 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' HG3' ' OG1' ' A' ' 16' ' ' THR . 56.0 mt-10 -69.56 -37.29 76.96 Favored 'General case' 0 C--O 1.246 0.869 0 O-C-N 126.818 2.574 . . . . 34.619999999999997 108.609 178.17 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.782 HD13 HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -60.29 -52.34 65.67 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 105.234 -2.136 . . . . 25.059999999999999 105.234 179.995 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.27 -50.55 64.62 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 116.946 -1.502 . . . . 21.48 112.052 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.5 m -57.9 -57.73 11.52 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 119.32 0.964 . . . . 22.949999999999999 110.319 -179.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -57.28 -27.71 62.37 Favored 'General case' 0 C--O 1.253 1.278 0 N-CA-C 116.868 2.173 . . . . 28.289999999999999 116.868 179.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.28 -20.67 18.98 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 123.785 0.834 . . . . 24.010000000000002 110.023 -178.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.49 38.11 45.25 Favored Glycine 0 C--N 1.316 -0.57 0 CA-C-O 117.528 -1.706 . . . . 29.73 113.233 179.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.1 m -125.66 172.86 12.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 107.384 -1.339 . . . . 34.399999999999999 107.384 178.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.522 ' O ' ' HB2' ' A' ' 30' ' ' SER . 74.8 mttt -74.85 138.37 42.46 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.822 -1.081 . . . . 44.890000000000001 109.479 -179.878 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.479 ' HG3' ' HA ' ' A' ' 18' ' ' THR . 0.4 OUTLIER -62.26 -23.7 66.84 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 113.751 -1.568 . . . . 44.060000000000002 111.583 178.873 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 29' ' ' GLN . 35.6 tt0 -77.11 -14.46 59.8 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 125.712 1.605 . . . . 43.609999999999999 107.731 178.98 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' SER . . . . . 0.522 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 4.0 m -80.35 -33.95 36.92 Favored 'General case' 0 C--O 1.243 0.753 0 O-C-N 124.681 1.238 . . . . 36.829999999999998 110.133 179.658 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.782 HD12 HD13 ' A' ' 20' ' ' LEU . 12.6 mm -73.0 -47.03 49.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 O-C-N 126.238 2.211 . . . . 29.690000000000001 112.128 179.913 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 28' ' ' GLN . 35.3 mt-30 -54.8 -48.76 72.34 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 124.421 1.088 . . . . 37.579999999999998 108.755 179.423 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.01 -38.11 81.68 Favored 'General case' 0 C--O 1.252 1.228 0 O-C-N 125.037 1.461 . . . . 31.809999999999999 111.88 179.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 30' ' ' SER . 47.3 mt -72.29 -49.96 39.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 N-CA-C 106.728 -1.582 . . . . 29.260000000000002 106.728 179.337 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.411 ' OE1' ' NE ' ' A' ' 10' ' ' ARG . 96.6 mt-10 -65.73 -30.84 71.56 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 125.198 1.561 . . . . 34.390000000000001 111.99 -178.608 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.0 7.92 14.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.879 0.309 . . . . 35.719999999999999 110.547 178.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.38 11.85 65.39 Favored Glycine 0 C--O 1.252 1.241 0 C-N-CA 127.658 2.551 . . . . 37.82 118.849 179.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.5 t -71.84 -56.61 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 118.808 1.304 . . . . 39.299999999999997 110.071 179.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' THR . . . . . 0.817 HG22 ' O ' ' A' ' 120' ' ' HOH . 0.2 OUTLIER -87.2 107.83 18.65 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 124.608 2.147 . . . . 41.68 110.623 179.739 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.745 ' HB3' ' NZ ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -82.43 -36.45 26.63 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 113.134 -1.848 . . . . 49.710000000000001 110.834 -179.468 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.965 ' HD3' ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -120.66 86.39 40.25 Favored Pre-proline 0 C--N 1.316 -0.854 0 O-C-N 125.879 1.987 . . . . 54.18 110.559 179.877 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.632 ' HG2' HD13 ' A' ' 45' ' ' LEU . 11.9 Cg_endo -63.28 138.06 64.29 Favored 'Trans proline' 0 C--O 1.244 0.823 0 O-C-N 124.949 2.026 . . . . 42.420000000000002 114.25 -179.886 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.1 ttp85 -66.54 -49.07 67.69 Favored 'General case' 0 C--O 1.25 1.109 0 CA-C-N 114.234 -1.348 . . . . 48.130000000000003 111.629 179.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -101.48 47.53 0.91 Allowed 'General case' 0 C--O 1.252 1.227 0 CA-C-O 117.054 -1.45 . . . . 41.130000000000003 113.918 179.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.632 HD13 ' HG2' ' A' ' 42' ' ' PRO . 9.7 tp -57.91 -39.8 78.83 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 119.626 1.103 . . . . 29.149999999999999 113.028 -179.168 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -56.99 -56.93 15.35 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 114.424 -1.262 . . . . 25.559999999999999 111.484 -179.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.4 mp0 -59.85 -42.25 93.21 Favored 'General case' 0 C--O 1.246 0.9 0 C-N-CA 124.554 1.142 . . . . 29.48 109.638 179.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.67 -45.17 97.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 O-C-N 125.826 1.954 . . . . 18.829999999999998 109.783 179.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.03 -39.2 93.57 Favored 'General case' 0 C--N 1.31 -1.139 0 C-N-CA 126.604 1.962 . . . . 18.530000000000001 110.406 179.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 33.4 mmt -61.88 -47.52 84.63 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.324 -1.362 . . . . 19.390000000000001 107.324 179.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.92 -27.14 68.61 Favored 'General case' 0 C--O 1.25 1.127 0 N-CA-C 113.768 1.025 . . . . 15.640000000000001 113.768 179.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.709 HD11 HD13 ' A' ' 6' ' ' LEU . 95.4 mt -94.95 9.18 40.34 Favored 'General case' 0 C--O 1.248 0.978 0 C-N-CA 125.761 1.624 . . . . 17.34 112.101 179.204 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.3 m120 44.74 54.54 6.57 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 117.177 -1.392 . . . . 22.690000000000001 111.831 178.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 22.9 p -145.27 173.51 11.9 Favored 'General case' 0 C--N 1.309 -1.192 0 O-C-N 125.211 1.569 . . . . 20.620000000000001 108.973 -178.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.481 ' OD1' ' HB ' ' A' ' 57' ' ' VAL . 8.0 t0 -83.23 126.82 71.08 Favored Pre-proline 0 C--N 1.311 -1.097 0 CA-C-N 114.138 -1.392 . . . . 34.719999999999999 108.441 179.87 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -56.64 -41.51 75.06 Favored 'Trans proline' 0 C--O 1.245 0.828 0 O-C-N 124.596 1.84 . . . . 26.829999999999998 111.895 179.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.481 ' HB ' ' OD1' ' A' ' 55' ' ' ASP . 41.4 t -59.17 -51.62 70.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 N-CA-C 105.977 -1.86 . . . . 30.100000000000001 105.977 179.485 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 55.8 t90 -54.3 -43.82 71.43 Favored 'General case' 0 C--O 1.252 1.194 0 O-C-N 124.139 0.9 . . . . 30.699999999999999 111.22 179.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.4 tp -64.28 -44.89 90.27 Favored 'General case' 0 C--O 1.243 0.751 0 CA-C-N 114.882 -1.054 . . . . 29.640000000000001 112.414 -179.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.472 ' HB2' HD21 ' A' ' 45' ' ' LEU . 40.9 tp60 -72.24 -45.44 60.23 Favored 'General case' 0 C--O 1.244 0.799 0 N-CA-C 114.958 1.466 . . . . 36.210000000000001 114.958 -177.909 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -106.13 -18.7 13.94 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 117.692 2.479 . . . . 31.989999999999998 117.692 -178.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.13 17.88 60.27 Favored Glycine 0 C--O 1.257 1.567 0 N-CA-C 115.605 1.002 . . . . 34.479999999999997 115.605 -179.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' THR . . . . . 0.532 ' O ' ' OG1' ' A' ' 63' ' ' THR . 61.8 p . . . . . 0 C--O 1.275 2.444 1 CA-C-O 110.634 -4.507 . . . . 29.48 109.562 179.403 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . 0.817 ' O ' HG22 ' A' ' 39' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_