data_4rcb_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 4rcb _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 ' 5' ' ' GLN . . . . . 1.027 ' CB ' ' CA ' ' A' ' 6' ' ' SER . 2.9 mt-30 . . . . . 0 CA--C 1.546 0.8 0 N-CA-C 107.299 -1.371 . . . . 51.19 107.299 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' SER . . . . . 1.027 ' CA ' ' CB ' ' A' ' 5' ' ' GLN . 95.4 p -138.38 162.09 35.3 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 104.438 -2.431 . . . . 45.68 104.438 -13.35 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.3 mt -81.63 -32.63 31.85 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 114.905 1.446 . . . . 26.83 114.905 -164.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -53.98 -56.3 19.16 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 112.566 0.58 . . . . 26.42 112.566 -176.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASP . . . . . 0.753 ' OD2' ' O ' ' A' ' 128' ' ' HOH . 56.3 m-20 -60.17 -49.19 91.95 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 119.836 -0.746 . . . . 41.58 112.864 -168.31 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -63.49 -33.67 67.77 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 114.958 -2.894 . . . . 22.21 115.079 176.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -64.02 -51.72 62.87 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 118.916 0.78 . . . . 22.26 109.971 178.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 98.4 mt -67.56 -36.71 81.47 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.768 -0.651 . . . . 19.49 112.077 -179.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -62.31 -36.34 81.83 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 111.95 0.352 . . . . 24.99 111.95 178.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.67 -45.9 73.89 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-O 121.616 0.722 . . . . 22.03 109.481 -178.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.3 mt -58.98 -38.46 79.19 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.926 -1.033 . . . . 16.98 111.624 176.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.8 ttp85 -74.22 -44.6 52.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.392 0.615 . . . . 28.52 110.136 -176.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.9 ttp85 -63.21 -48.96 76.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.335 -0.848 . . . . 33.31 111.405 -179.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -80.59 -4.61 54.73 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.827 -0.349 . . . . 29.09 111.699 -175.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.0 mtp85 55.63 42.15 29.79 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.602 0.715 . . . . 31.86 109.985 178.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.6 t -74.68 121.72 85.89 Favored Pre-proline 0 C--O 1.221 -0.444 0 CA-C-N 114.435 -1.257 . . . . 25.6 111.16 179.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -56.98 133.6 59.04 Favored 'Trans proline' 0 C--O 1.242 0.71 0 C-N-CA 117.447 -1.236 . . . . 24.05 112.879 170.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.7 m -126.42 157.53 36.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-O 121.41 0.624 . . . . 17.9 110.835 -177.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.3 m -107.99 126.37 52.63 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 105.104 -2.184 . . . . 18.98 105.104 169.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.1 mt -110.24 116.15 51.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.7 -0.852 . . . . 19.51 108.7 174.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -93.08 133.01 36.67 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.232 -1.025 . . . . 25.11 108.232 178.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . 0.49 ' O ' ' O ' ' A' ' 125' ' ' HOH . 36.0 mt -96.33 165.63 12.1 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 119.93 -0.708 . . . . 16.48 110.485 -179.301 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.0 m -61.86 -9.42 3.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.87 -0.605 . . . . 24.34 112.36 -173.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ASN . . . . . 0.649 ' ND2' ' O ' ' A' ' 116' ' ' HOH . 48.2 p30 -101.87 1.62 37.19 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.17 0.433 . . . . 24.87 112.17 178.385 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 125' ' ' HOH . . . 95.46 -10.94 69.05 Favored Glycine 0 C--O 1.22 -0.758 0 C-N-CA 121.033 -0.604 . . . . 21.26 113.822 177.346 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ILE . . . . . 0.617 ' N ' ' O ' ' A' ' 125' ' ' HOH . 36.1 mm -70.34 135.09 28.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 117.185 0.492 . . . . 26.63 110.749 177.135 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.6 tttt -100.95 129.07 46.74 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 123.331 0.652 . . . . 35.98 112.56 -178.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.2 mt -113.65 151.12 32.2 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 108.376 -0.972 . . . . 22.89 108.376 176.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -136.11 152.37 50.77 Favored 'General case' 0 CA--C 1.492 -1.26 0 C-N-CA 120.052 -0.659 . . . . 32.12 111.062 -177.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.47 -157.92 27.87 Favored Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 108.012 -2.035 . . . . 18.83 108.012 175.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -118.71 139.78 50.99 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.021 -0.733 . . . . 27.29 109.021 -179.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.1 mt -74.09 115.8 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.97 -0.752 . . . . 23.17 108.97 -177.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -85.71 -46.96 10.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.138 -0.937 . . . . 37.62 111.664 -174.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.6 p -161.7 168.73 22.79 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 107.487 -1.301 . . . . 22.84 107.487 172.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -155.24 162.48 40.89 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.96 -0.756 . . . . 21.64 108.96 177.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . 0.496 ' O ' ' NZ ' ' A' ' 56' ' ' LYS . 42.2 p30 -138.0 -151.31 0.38 Allowed 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 107.35 -1.352 . . . . 23.2 107.35 162.708 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -82.07 -6.56 59.25 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.226 0.824 . . . . 20.73 113.226 -175.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -118.24 -33.5 4.37 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 114.911 1.448 . . . . 27.32 114.911 -178.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.8 m -135.47 162.65 37.18 Favored 'Isoleucine or valine' 0 C--O 1.243 0.753 0 C-N-CA 119.798 -0.761 . . . . 14.01 112.897 -177.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 90.5 mt -119.76 133.17 67.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-N 115.02 -0.991 . . . . 15.15 109.709 166.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.4 mt -91.62 119.3 31.4 Favored 'General case' 0 C--O 1.247 0.948 0 N-CA-C 107.574 -1.269 . . . . 23.14 107.574 172.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 30.6 tp -112.61 119.63 38.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.047 -0.979 . . . . 19.97 109.451 -173.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LYS . . . . . 0.632 ' NZ ' ' O ' ' A' ' 48' ' ' ASN . 29.1 tptp -108.3 146.37 33.02 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 113.734 1.012 . . . . 30.37 113.734 -171.223 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASN . . . . . 0.719 ' OD1' ' N ' ' A' ' 49' ' ' THR . 55.4 p30 -162.18 -80.45 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 125.467 1.507 . . . . 44.3 110.966 152.934 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . 0.719 ' N ' ' OD1' ' A' ' 48' ' ' ASN . 3.0 m -76.31 -54.24 7.05 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 122.405 1.098 . . . . 50.3 110.03 175.42 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.5 m -124.58 162.75 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 114.664 -1.153 . . . . 28.16 108.263 168.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 129' ' ' HOH . 19.4 m -78.33 129.88 35.52 Favored 'General case' 0 C--O 1.244 0.765 0 N-CA-C 109.084 -0.71 . . . . 28.77 109.084 167.348 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -116.64 147.8 41.59 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 108.698 -0.853 . . . . 21.78 108.698 174.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 63.1 ttp -102.93 117.12 33.89 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.306 -0.998 . . . . 17.85 108.306 -175.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.8 t -105.47 124.34 60.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 O-C-N 124.403 1.065 . . . . 11.73 109.591 -177.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -78.58 124.51 28.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.935 -0.575 . . . . 19.26 109.849 178.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LYS . . . . . 0.496 ' NZ ' ' O ' ' A' ' 40' ' ' ASP . 89.9 mttt -57.95 -31.43 66.84 Favored 'General case' 0 C--O 1.236 0.344 0 O-C-N 123.766 0.666 . . . . 19.74 112.536 -179.566 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -65.23 -15.78 62.83 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 119.093 -1.043 . . . . 18.51 112.065 178.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.42 -3.52 30.81 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.417 0.525 . . . . 12.89 112.417 -179.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 64.5 mt -91.74 138.84 18.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 120.27 -0.572 . . . . 12.04 111.317 -178.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 85.5 p -101.26 -51.45 3.5 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 120.425 -0.51 . . . . 13.29 110.693 175.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.8 t -145.62 148.97 33.68 Favored 'General case' 0 C--O 1.244 0.777 0 C-N-CA 119.503 -0.879 . . . . 17.61 110.468 178.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.1 t -113.16 119.17 59.96 Favored 'Isoleucine or valine' 0 C--O 1.244 0.771 0 N-CA-C 107.273 -1.38 . . . . 16.53 107.273 176.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.9 t -118.03 109.36 41.11 Favored Pre-proline 0 N--CA 1.446 -0.632 0 CA-C-N 114.968 -1.014 . . . . 17.19 109.055 -171.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.53 148.14 78.1 Favored 'Trans proline' 0 CA--C 1.533 0.443 0 O-C-N 122.603 0.791 . . . . 18.74 110.905 176.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.9 p -84.64 -0.93 55.18 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.065 -0.654 . . . . 27.39 111.482 -176.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.4 ptt85 -161.06 156.64 21.34 Favored Pre-proline 0 C--N 1.322 -0.596 0 N-CA-C 108.165 -1.05 . . . . 40.02 108.165 176.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -56.39 128.77 31.46 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 121.323 1.349 . . . . 32.35 113.311 -176.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.6 t -125.45 132.22 71.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.542 -0.754 . . . . 38.27 110.654 -177.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.1 t -99.2 159.02 15.29 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 112.395 0.517 . . . . 36.65 112.395 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -160.55 -68.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.036 -0.529 . . . . 47.83 111.412 172.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 115.787 -0.642 . . . . 71.58 110.173 179.658 . . . . . . . . 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 ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . 0.649 ' O ' ' ND2' ' A' ' 28' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . 0.617 ' O ' ' N ' ' A' ' 30' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . 0.753 ' O ' ' OD2' ' A' ' 9' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . 0.515 ' O ' ' N ' ' A' ' 51' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . 1.179 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 2.9 mt-30 . . . . . 0 CA--C 1.546 0.8 0 N-CA-C 107.299 -1.371 . . . . 51.189999999999998 107.299 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' SER . . . . . 1.179 ' HA ' ' CB ' ' A' ' 5' ' ' GLN . 95.4 p -138.38 162.09 35.3 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 104.438 -2.431 . . . . 45.68 104.438 -13.35 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.3 mt -81.63 -32.63 31.85 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 114.905 1.446 . . . . 26.829999999999998 114.905 -164.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -53.98 -56.3 19.16 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 112.566 0.58 . . . . 26.420000000000002 112.566 -176.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASP . . . . . 0.753 ' OD2' ' O ' ' A' ' 128' ' ' HOH . 56.3 m-20 -60.17 -49.19 91.95 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 119.836 -0.746 . . . . 41.579999999999998 112.864 -168.31 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -63.49 -33.67 67.77 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 114.958 -2.894 . . . . 22.210000000000001 115.079 176.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -64.02 -51.72 62.87 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 118.916 0.78 . . . . 22.260000000000002 109.971 178.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 98.4 mt -67.56 -36.71 81.47 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.768 -0.651 . . . . 19.489999999999998 112.077 -179.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -62.31 -36.34 81.83 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 111.95 0.352 . . . . 24.989999999999998 111.95 178.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.67 -45.9 73.89 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-O 121.616 0.722 . . . . 22.030000000000001 109.481 -178.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . 0.556 HD13 HG11 ' A' ' 22' ' ' VAL . 82.3 mt -58.98 -38.46 79.19 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.926 -1.033 . . . . 16.98 111.624 176.957 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.8 ttp85 -74.22 -44.6 52.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.392 0.615 . . . . 28.52 110.136 -176.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.9 ttp85 -63.21 -48.96 76.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.335 -0.848 . . . . 33.310000000000002 111.405 -179.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLU . . . . . 0.567 ' HB2' HG23 ' A' ' 20' ' ' VAL . 64.1 mm-40 -80.59 -4.61 54.73 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.827 -0.349 . . . . 29.09 111.699 -175.555 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.0 mtp85 55.63 42.15 29.79 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.602 0.715 . . . . 31.859999999999999 109.985 178.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . 0.567 HG23 ' HB2' ' A' ' 18' ' ' GLU . 22.6 t -74.68 121.72 85.89 Favored Pre-proline 0 C--O 1.221 -0.444 0 CA-C-N 114.435 -1.257 . . . . 25.600000000000001 111.16 179.509 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -56.98 133.6 59.04 Favored 'Trans proline' 0 C--O 1.242 0.71 0 C-N-CA 117.447 -1.236 . . . . 24.050000000000001 112.879 170.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' VAL . . . . . 0.556 HG11 HD13 ' A' ' 15' ' ' LEU . 22.7 m -126.42 157.53 36.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-O 121.41 0.624 . . . . 17.899999999999999 110.835 -177.986 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.3 m -107.99 126.37 52.63 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 105.104 -2.184 . . . . 18.98 105.104 169.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.1 mt -110.24 116.15 51.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.7 -0.852 . . . . 19.510000000000002 108.7 174.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -93.08 133.01 36.67 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.232 -1.025 . . . . 25.109999999999999 108.232 178.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . 0.622 ' HB2' ' O ' ' A' ' 125' ' ' HOH . 36.0 mt -96.33 165.63 12.1 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 119.93 -0.708 . . . . 16.48 110.485 -179.301 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.0 m -61.86 -9.42 3.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.87 -0.605 . . . . 24.34 112.36 -173.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 116' ' ' HOH . 48.2 p30 -101.87 1.62 37.19 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.17 0.433 . . . . 24.870000000000001 112.17 178.385 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 125' ' ' HOH . . . 95.46 -10.94 69.05 Favored Glycine 0 C--O 1.22 -0.758 0 C-N-CA 121.033 -0.604 . . . . 21.260000000000002 113.822 177.346 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ILE . . . . . 0.617 ' N ' ' O ' ' A' ' 125' ' ' HOH . 36.1 mm -70.34 135.09 28.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 117.185 0.492 . . . . 26.629999999999999 110.749 177.135 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.6 tttt -100.95 129.07 46.74 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 123.331 0.652 . . . . 35.979999999999997 112.56 -178.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.2 mt -113.65 151.12 32.2 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 108.376 -0.972 . . . . 22.890000000000001 108.376 176.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -136.11 152.37 50.77 Favored 'General case' 0 CA--C 1.492 -1.26 0 C-N-CA 120.052 -0.659 . . . . 32.119999999999997 111.062 -177.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.47 -157.92 27.87 Favored Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 108.012 -2.035 . . . . 18.829999999999998 108.012 175.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -118.71 139.78 50.99 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.021 -0.733 . . . . 27.289999999999999 109.021 -179.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.1 mt -74.09 115.8 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.97 -0.752 . . . . 23.170000000000002 108.97 -177.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -85.71 -46.96 10.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.138 -0.937 . . . . 37.619999999999997 111.664 -174.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.6 p -161.7 168.73 22.79 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 107.487 -1.301 . . . . 22.84 107.487 172.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -155.24 162.48 40.89 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.96 -0.756 . . . . 21.640000000000001 108.96 177.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.2 p30 -138.0 -151.31 0.38 Allowed 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 107.35 -1.352 . . . . 23.199999999999999 107.35 162.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -82.07 -6.56 59.25 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.226 0.824 . . . . 20.73 113.226 -175.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -118.24 -33.5 4.37 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 114.911 1.448 . . . . 27.32 114.911 -178.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.8 m -135.47 162.65 37.18 Favored 'Isoleucine or valine' 0 C--O 1.243 0.753 0 C-N-CA 119.798 -0.761 . . . . 14.01 112.897 -177.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 90.5 mt -119.76 133.17 67.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-N 115.02 -0.991 . . . . 15.15 109.709 166.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.4 mt -91.62 119.3 31.4 Favored 'General case' 0 C--O 1.247 0.948 0 N-CA-C 107.574 -1.269 . . . . 23.140000000000001 107.574 172.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 30.6 tp -112.61 119.63 38.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.047 -0.979 . . . . 19.969999999999999 109.451 -173.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LYS . . . . . 0.562 ' NZ ' ' O ' ' A' ' 48' ' ' ASN . 29.1 tptp -108.3 146.37 33.02 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 113.734 1.012 . . . . 30.370000000000001 113.734 -171.223 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASN . . . . . 0.684 ' OD1' ' N ' ' A' ' 49' ' ' THR . 55.4 p30 -162.18 -80.45 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 125.467 1.507 . . . . 44.299999999999997 110.966 152.934 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . 0.684 ' N ' ' OD1' ' A' ' 48' ' ' ASN . 3.0 m -76.31 -54.24 7.05 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 122.405 1.098 . . . . 50.299999999999997 110.03 175.42 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.5 m -124.58 162.75 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 114.664 -1.153 . . . . 28.16 108.263 168.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 129' ' ' HOH . 19.4 m -78.33 129.88 35.52 Favored 'General case' 0 C--O 1.244 0.765 0 N-CA-C 109.084 -0.71 . . . . 28.77 109.084 167.348 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -116.64 147.8 41.59 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 108.698 -0.853 . . . . 21.780000000000001 108.698 174.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 63.1 ttp -102.93 117.12 33.89 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.306 -0.998 . . . . 17.850000000000001 108.306 -175.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.8 t -105.47 124.34 60.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 O-C-N 124.403 1.065 . . . . 11.73 109.591 -177.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -78.58 124.51 28.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.935 -0.575 . . . . 19.260000000000002 109.849 178.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -57.95 -31.43 66.84 Favored 'General case' 0 C--O 1.236 0.344 0 O-C-N 123.766 0.666 . . . . 19.739999999999998 112.536 -179.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -65.23 -15.78 62.83 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 119.093 -1.043 . . . . 18.510000000000002 112.065 178.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.42 -3.52 30.81 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.417 0.525 . . . . 12.890000000000001 112.417 -179.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 64.5 mt -91.74 138.84 18.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 120.27 -0.572 . . . . 12.039999999999999 111.317 -178.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 85.5 p -101.26 -51.45 3.5 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 120.425 -0.51 . . . . 13.289999999999999 110.693 175.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.8 t -145.62 148.97 33.68 Favored 'General case' 0 C--O 1.244 0.777 0 C-N-CA 119.503 -0.879 . . . . 17.609999999999999 110.468 178.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.1 t -113.16 119.17 59.96 Favored 'Isoleucine or valine' 0 C--O 1.244 0.771 0 N-CA-C 107.273 -1.38 . . . . 16.530000000000001 107.273 176.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.9 t -118.03 109.36 41.11 Favored Pre-proline 0 N--CA 1.446 -0.632 0 CA-C-N 114.968 -1.014 . . . . 17.190000000000001 109.055 -171.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.53 148.14 78.1 Favored 'Trans proline' 0 CA--C 1.533 0.443 0 O-C-N 122.603 0.791 . . . . 18.739999999999998 110.905 176.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.9 p -84.64 -0.93 55.18 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.065 -0.654 . . . . 27.390000000000001 111.482 -176.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.4 ptt85 -161.06 156.64 21.34 Favored Pre-proline 0 C--N 1.322 -0.596 0 N-CA-C 108.165 -1.05 . . . . 40.020000000000003 108.165 176.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -56.39 128.77 31.46 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 121.323 1.349 . . . . 32.350000000000001 113.311 -176.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.6 t -125.45 132.22 71.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.542 -0.754 . . . . 38.270000000000003 110.654 -177.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.1 t -99.2 159.02 15.29 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 112.395 0.517 . . . . 36.649999999999999 112.395 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -160.55 -68.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.036 -0.529 . . . . 47.829999999999998 111.412 172.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 115.787 -0.642 . . . . 71.579999999999998 110.173 179.658 . . . . . . . . 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 ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . 0.525 ' O ' ' ND2' ' A' ' 28' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . 0.622 ' O ' ' HB2' ' A' ' 26' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . 0.753 ' O ' ' OD2' ' A' ' 9' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . 0.413 ' O ' ' N ' ' A' ' 51' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . 1.179 ' CB ' ' HA ' ' A' ' 6' ' ' SER . 2.9 mt-30 . . . . . 0 CA--C 1.546 0.8 0 N-CA-C 107.299 -1.371 . . . . 51.189999999999998 107.299 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' SER . . . . . 1.179 ' HA ' ' CB ' ' A' ' 5' ' ' GLN . 95.4 p -138.38 162.09 35.3 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 104.438 -2.431 . . . . 45.68 104.438 -13.35 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.3 mt -81.63 -32.63 31.85 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 114.905 1.446 . . . . 26.829999999999998 114.905 -164.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -53.98 -56.3 19.16 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 112.566 0.58 . . . . 26.420000000000002 112.566 -176.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.753 ' OD2' ' O ' ' A' ' 128' ' ' HOH . 56.3 m-20 -60.17 -49.19 91.95 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 119.836 -0.746 . . . . 41.579999999999998 112.864 -168.31 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -63.49 -33.67 67.77 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 114.958 -2.894 . . . . 22.210000000000001 115.079 176.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -64.02 -51.72 62.87 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 118.916 0.78 . . . . 22.260000000000002 109.971 178.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 98.4 mt -67.56 -36.71 81.47 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.768 -0.651 . . . . 19.489999999999998 112.077 -179.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -62.31 -36.34 81.83 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 111.95 0.352 . . . . 24.989999999999998 111.95 178.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.67 -45.9 73.89 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-O 121.616 0.722 . . . . 22.030000000000001 109.481 -178.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.556 HD13 HG11 ' A' ' 22' ' ' VAL . 82.3 mt -58.98 -38.46 79.19 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.926 -1.033 . . . . 16.98 111.624 176.957 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.8 ttp85 -74.22 -44.6 52.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.392 0.615 . . . . 28.52 110.136 -176.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.9 ttp85 -63.21 -48.96 76.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.335 -0.848 . . . . 33.310000000000002 111.405 -179.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.567 ' HB2' HG23 ' A' ' 20' ' ' VAL . 64.1 mm-40 -80.59 -4.61 54.73 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.827 -0.349 . . . . 29.09 111.699 -175.555 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.0 mtp85 55.63 42.15 29.79 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.602 0.715 . . . . 31.859999999999999 109.985 178.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.567 HG23 ' HB2' ' A' ' 18' ' ' GLU . 22.6 t -74.68 121.72 85.89 Favored Pre-proline 0 C--O 1.221 -0.444 0 CA-C-N 114.435 -1.257 . . . . 25.600000000000001 111.16 179.509 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -56.98 133.6 59.04 Favored 'Trans proline' 0 C--O 1.242 0.71 0 C-N-CA 117.447 -1.236 . . . . 24.050000000000001 112.879 170.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.556 HG11 HD13 ' A' ' 15' ' ' LEU . 22.7 m -126.42 157.53 36.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-O 121.41 0.624 . . . . 17.899999999999999 110.835 -177.986 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.3 m -107.99 126.37 52.63 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 105.104 -2.184 . . . . 18.98 105.104 169.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.1 mt -110.24 116.15 51.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.7 -0.852 . . . . 19.510000000000002 108.7 174.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -93.08 133.01 36.67 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.232 -1.025 . . . . 25.109999999999999 108.232 178.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.622 ' HB2' ' O ' ' A' ' 125' ' ' HOH . 36.0 mt -96.33 165.63 12.1 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 119.93 -0.708 . . . . 16.48 110.485 -179.301 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.0 m -61.86 -9.42 3.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.87 -0.605 . . . . 24.34 112.36 -173.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 116' ' ' HOH . 48.2 p30 -101.87 1.62 37.19 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.17 0.433 . . . . 24.870000000000001 112.17 178.385 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 125' ' ' HOH . . . 95.46 -10.94 69.05 Favored Glycine 0 C--O 1.22 -0.758 0 C-N-CA 121.033 -0.604 . . . . 21.260000000000002 113.822 177.346 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.617 ' N ' ' O ' ' A' ' 125' ' ' HOH . 36.1 mm -70.34 135.09 28.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 117.185 0.492 . . . . 26.629999999999999 110.749 177.135 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.6 tttt -100.95 129.07 46.74 Favored 'General case' 0 C--O 1.243 0.753 0 C-N-CA 123.331 0.652 . . . . 35.979999999999997 112.56 -178.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.2 mt -113.65 151.12 32.2 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 108.376 -0.972 . . . . 22.890000000000001 108.376 176.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -136.11 152.37 50.77 Favored 'General case' 0 CA--C 1.492 -1.26 0 C-N-CA 120.052 -0.659 . . . . 32.119999999999997 111.062 -177.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.47 -157.92 27.87 Favored Glycine 0 N--CA 1.44 -1.068 0 N-CA-C 108.012 -2.035 . . . . 18.829999999999998 108.012 175.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -118.71 139.78 50.99 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 109.021 -0.733 . . . . 27.289999999999999 109.021 -179.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.1 mt -74.09 115.8 15.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.97 -0.752 . . . . 23.170000000000002 108.97 -177.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -85.71 -46.96 10.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.138 -0.937 . . . . 37.619999999999997 111.664 -174.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.6 p -161.7 168.73 22.79 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 107.487 -1.301 . . . . 22.84 107.487 172.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -155.24 162.48 40.89 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.96 -0.756 . . . . 21.640000000000001 108.96 177.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.2 p30 -138.0 -151.31 0.38 Allowed 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 107.35 -1.352 . . . . 23.199999999999999 107.35 162.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -82.07 -6.56 59.25 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.226 0.824 . . . . 20.73 113.226 -175.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -118.24 -33.5 4.37 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 114.911 1.448 . . . . 27.32 114.911 -178.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.8 m -135.47 162.65 37.18 Favored 'Isoleucine or valine' 0 C--O 1.243 0.753 0 C-N-CA 119.798 -0.761 . . . . 14.01 112.897 -177.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 90.5 mt -119.76 133.17 67.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-N 115.02 -0.991 . . . . 15.15 109.709 166.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.4 mt -91.62 119.3 31.4 Favored 'General case' 0 C--O 1.247 0.948 0 N-CA-C 107.574 -1.269 . . . . 23.140000000000001 107.574 172.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 30.6 tp -112.61 119.63 38.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.047 -0.979 . . . . 19.969999999999999 109.451 -173.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.562 ' NZ ' ' O ' ' A' ' 48' ' ' ASN . 29.1 tptp -108.3 146.37 33.02 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 113.734 1.012 . . . . 30.370000000000001 113.734 -171.223 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.684 ' OD1' ' N ' ' A' ' 49' ' ' THR . 55.4 p30 -162.18 -80.45 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 125.467 1.507 . . . . 44.299999999999997 110.966 152.934 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . 0.684 ' N ' ' OD1' ' A' ' 48' ' ' ASN . 3.0 m -76.31 -54.24 7.05 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 122.405 1.098 . . . . 50.299999999999997 110.03 175.42 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 25.5 m -124.58 162.75 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 CA-C-N 114.664 -1.153 . . . . 28.16 108.263 168.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 129' ' ' HOH . 19.4 m -78.33 129.88 35.52 Favored 'General case' 0 C--O 1.244 0.765 0 N-CA-C 109.084 -0.71 . . . . 28.77 109.084 167.348 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -116.64 147.8 41.59 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 108.698 -0.853 . . . . 21.780000000000001 108.698 174.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 63.1 ttp -102.93 117.12 33.89 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.306 -0.998 . . . . 17.850000000000001 108.306 -175.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.8 t -105.47 124.34 60.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 O-C-N 124.403 1.065 . . . . 11.73 109.591 -177.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -78.58 124.51 28.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.935 -0.575 . . . . 19.260000000000002 109.849 178.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -57.95 -31.43 66.84 Favored 'General case' 0 C--O 1.236 0.344 0 O-C-N 123.766 0.666 . . . . 19.739999999999998 112.536 -179.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -65.23 -15.78 62.83 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 119.093 -1.043 . . . . 18.510000000000002 112.065 178.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.42 -3.52 30.81 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.417 0.525 . . . . 12.890000000000001 112.417 -179.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 64.5 mt -91.74 138.84 18.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 120.27 -0.572 . . . . 12.039999999999999 111.317 -178.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 85.5 p -101.26 -51.45 3.5 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 120.425 -0.51 . . . . 13.289999999999999 110.693 175.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.8 t -145.62 148.97 33.68 Favored 'General case' 0 C--O 1.244 0.777 0 C-N-CA 119.503 -0.879 . . . . 17.609999999999999 110.468 178.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.1 t -113.16 119.17 59.96 Favored 'Isoleucine or valine' 0 C--O 1.244 0.771 0 N-CA-C 107.273 -1.38 . . . . 16.530000000000001 107.273 176.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 57.9 t -118.03 109.36 41.11 Favored Pre-proline 0 N--CA 1.446 -0.632 0 CA-C-N 114.968 -1.014 . . . . 17.190000000000001 109.055 -171.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.53 148.14 78.1 Favored 'Trans proline' 0 CA--C 1.533 0.443 0 O-C-N 122.603 0.791 . . . . 18.739999999999998 110.905 176.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.9 p -84.64 -0.93 55.18 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.065 -0.654 . . . . 27.390000000000001 111.482 -176.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.4 ptt85 -161.06 156.64 21.34 Favored Pre-proline 0 C--N 1.322 -0.596 0 N-CA-C 108.165 -1.05 . . . . 40.020000000000003 108.165 176.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -56.39 128.77 31.46 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 121.323 1.349 . . . . 32.350000000000001 113.311 -176.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.6 t -125.45 132.22 71.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.542 -0.754 . . . . 38.270000000000003 110.654 -177.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.1 t -99.2 159.02 15.29 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 112.395 0.517 . . . . 36.649999999999999 112.395 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -160.55 -68.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.036 -0.529 . . . . 47.829999999999998 111.412 172.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 115.787 -0.642 . . . . 71.579999999999998 110.173 179.658 . . . . . . . . 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 ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . 0.525 ' O ' ' ND2' ' A' ' 28' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . 0.622 ' O ' ' HB2' ' A' ' 26' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . 0.753 ' O ' ' OD2' ' A' ' 9' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . 0.413 ' O ' ' N ' ' A' ' 51' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_