data_1lr9_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 1lr9 _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 ' 64' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 121.092 0.472 . . . . 48.24 111.162 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -158.1 152.32 24.33 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.112 -0.992 . . . . 45.96 113.471 174.587 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.7 m -69.26 -23.74 63.89 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 118.992 -1.083 . . . . 46.72 113.747 178.596 -90.213 -50.257 -80.522 112.771 2.095 104.139 -90.388 -179.403 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . . . -57.11 141.56 45.61 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.546 -0.539 . . . . 48.88 109.546 -179.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . . . 61.05 25.53 15.55 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 114.677 1.362 . . . . 48.42 114.677 178.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 85.7 t -121.18 113.88 41.23 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.803 0 N-CA-C 105.895 -1.891 . . . . 47.15 105.895 179.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . . . -98.81 115.64 29.24 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 123.928 0.768 . . . . 44.6 110.717 177.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 66.6 m -84.11 -16.65 42.87 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 113.773 1.027 . . . . 42.85 113.773 -178.344 -72.559 -76.124 -77.355 105.226 2.017 107.906 -61.707 -72.618 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 99.55 -176.16 28.54 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-O 121.84 0.689 . . . . 43.65 111.972 -177.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -71.35 137.64 31.32 Favored 'Trans proline' 0 C--N 1.326 -0.635 0 C-N-CA 120.828 1.019 . . . . 44.22 111.985 177.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.67 2.46 89.89 Favored Glycine 0 C--O 1.22 -0.763 0 O-C-N 124.954 1.409 . . . . 42.36 115.243 179.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -133.16 153.1 51.84 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 116.927 0.363 . . . . 39.38 110.583 178.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . . . -138.98 148.76 43.89 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 105.915 -1.883 . . . . 36.2 105.915 -179.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 54.0 t -82.81 143.38 30.86 Favored 'General case' 0 C--O 1.197 -1.673 0 N-CA-C 113.235 0.828 . . . . 39.98 113.235 -179.563 -179.403 -90.388 -80.522 104.139 2.095 112.771 -50.257 -90.213 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.5 ttp85 -154.32 137.71 15.84 Favored 'General case' 0 CA--C 1.553 1.09 0 O-C-N 121.81 -0.556 . . . . 52.5 110.271 -177.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 76.1 mmm -79.83 130.77 35.59 Favored 'General case' 0 N--CA 1.426 -1.634 0 N-CA-C 108.938 -0.764 . . . . 39.58 108.938 179.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 38.3 p30 -87.19 -175.38 5.28 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 109.5 -0.556 . . . . 32.91 109.5 178.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . . . -69.03 4.83 1.36 Allowed 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 124.441 1.088 . . . . 36.68 113.274 -177.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -117.81 12.23 13.8 Favored 'General case' 0 C--O 1.196 -1.737 0 CA-C-N 116.09 -0.505 . . . . 47.71 111.09 176.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 63.67 28.02 14.92 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 113.423 0.898 . . . . 32.26 113.423 -178.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -109.92 129.63 23.72 Favored Pre-proline 0 CA--C 1.546 0.805 0 N-CA-C 108.34 -0.985 . . . . 31.9 108.34 175.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -68.54 136.27 35.93 Favored 'Trans proline' 0 N--CA 1.45 -1.048 0 C-N-CA 121.206 1.27 . . . . 29.52 110.479 176.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -137.67 148.46 45.75 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 124.304 1.041 . . . . 34.2 111.746 179.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 66.4 m -91.62 108.38 19.86 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 107.928 -1.138 . . . . 32.23 107.928 179.345 -72.618 -61.707 -77.355 107.906 2.017 105.226 -76.124 -72.559 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.4 m -107.37 146.75 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.566 0 CA-C-O 121.673 0.749 . . . . 29.87 110.967 -179.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 95.0 m -59.81 117.08 4.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.029 -0.987 . . . . 31.75 109.78 -178.87 -68.85 -87.788 -83.906 98.43 2.045 113.339 -77.577 169.184 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -135.58 68.98 67.09 Favored Pre-proline 0 N--CA 1.486 1.364 0 C-N-CA 124.337 1.055 . . . . 31.96 109.428 178.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -65.33 146.17 85.22 Favored 'Trans proline' 0 C--O 1.185 -2.131 0 C-N-CA 121.441 1.428 . . . . 31.8 113.897 -175.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ASP . . . . . 0.605 ' N ' ' O ' ' A' ' 8' ' ' HOH . 0.4 OUTLIER -91.02 128.53 36.88 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.507 -1.37 . . . . 47.17 108.37 178.765 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 37.7 m -117.09 22.11 12.77 Favored 'General case' 0 C--O 1.195 -1.804 0 N-CA-C 114.675 1.361 . . . . 31.0 114.675 -175.477 -51.984 166.331 76.696 106.107 2.072 108.845 50.248 -158.472 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' SER . . . . . 0.543 ' OG ' ' OD1' ' A' ' 92' ' ' ASP . 2.6 p -74.95 -17.58 60.53 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 113.668 0.988 . . . . 28.92 113.668 -177.006 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -88.57 -6.46 57.54 Favored 'General case' 0 C--O 1.244 0.804 0 O-C-N 124.13 0.894 . . . . 35.85 112.859 -178.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.5 mp -61.95 148.55 10.03 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.85 0 O-C-N 124.078 0.861 . . . . 35.69 112.673 -177.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 98' ' ' TRP . 66.8 p -106.87 -66.33 1.02 Allowed 'General case' 0 C--O 1.205 -1.27 0 O-C-N 119.598 -1.939 . . . . 30.36 111.358 175.576 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' TRP . . . . . 0.457 ' N ' ' OG1' ' A' ' 97' ' ' THR . 68.9 t-105 -66.08 130.91 44.88 Favored 'General case' 0 C--O 1.201 -1.477 0 O-C-N 121.286 -0.883 . . . . 33.19 109.55 176.057 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . . . -107.45 2.35 24.19 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 119.152 -1.019 . . . . 21.78 113.34 -177.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -91.97 -171.89 41.96 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 118.194 0.452 . . . . 19.11 113.348 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -63.89 154.91 67.13 Favored 'Trans proline' 0 C--N 1.324 -0.711 0 CA-C-N 117.396 0.598 . . . . 19.36 110.73 179.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.7 m -136.42 151.03 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.044 0 O-C-N 124.856 1.348 . . . . 15.99 108.313 -178.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 46.8 t -99.02 115.17 28.34 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.279 -0.873 . . . . 15.63 110.074 179.158 -177.232 56.708 101.492 105.298 2.009 109.546 -49.441 -65.803 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.73 157.55 49.14 Favored Glycine 0 C--O 1.188 -2.768 0 N-CA-C 116.198 1.239 . . . . 12.67 116.198 -179.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 32.3 tp -65.16 -3.73 4.17 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 121.066 -1.255 . . . . 21.11 109.918 179.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.4 p-10 -94.08 0.76 56.09 Favored 'General case' 0 C--N 1.316 -0.856 0 O-C-N 121.044 -1.035 . . . . 20.39 110.581 176.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.34 6.73 87.48 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 116.388 1.315 . . . . 14.91 116.388 -179.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . . . -105.86 139.43 40.44 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.649 0.852 . . . . 17.38 109.161 179.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 94.8 m -77.18 142.68 39.52 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-N 114.634 -1.166 . . . . 16.04 108.679 175.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -121.75 134.14 54.93 Favored 'General case' 0 CA--C 1.506 -0.725 0 N-CA-C 106.854 -1.536 . . . . 17.35 106.854 174.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 4.9 ptt85 -48.15 -31.6 5.88 Favored 'General case' 0 CA--C 1.484 -1.575 0 CA-C-O 118.541 -0.742 . . . . 31.03 112.071 179.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -164.34 173.82 11.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 123.915 0.759 . . . . 19.33 109.231 174.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -68.44 -29.34 67.97 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 114.131 1.16 . . . . 25.18 114.131 -177.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 5.4 t -56.56 -43.4 79.91 Favored 'General case' 0 N--CA 1.431 -1.384 0 CA-C-O 121.704 0.764 . . . . 31.28 110.43 178.811 -158.472 50.248 76.696 108.845 2.072 106.107 166.331 -51.984 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.8 -38.66 83.59 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-N 114.582 -1.19 . . . . 16.54 112.567 177.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.1 tt -60.94 -39.95 91.45 Favored 'General case' 0 C--O 1.204 -1.307 0 C-N-CA 119.464 -0.895 . . . . 14.74 109.431 176.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 65.2 mt -67.4 -35.34 79.09 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 123.113 1.435 . . . . 19.12 111.884 179.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -62.43 -42.49 99.49 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 118.128 -1.429 . . . . 35.6 109.94 176.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -71.63 -32.76 68.31 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 122.119 0.962 . . . . 20.38 111.811 -175.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -58.65 -52.46 65.58 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-N 113.61 -1.632 . . . . 35.87 108.158 175.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 12.9 t -64.8 -36.03 83.0 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 114.599 1.333 . . . . 32.3 114.599 179.839 169.184 -77.577 -83.906 113.339 2.045 98.43 -87.788 -68.85 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -83.06 -36.1 25.19 Favored 'General case' 0 C--O 1.212 -0.869 0 N-CA-C 114.349 1.24 . . . . 42.38 114.349 -177.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -140.08 -36.78 0.49 Allowed 'General case' 0 C--O 1.19 -2.036 0 N-CA-C 118.396 2.739 . . . . 46.19 118.396 -176.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -116.51 97.99 50.92 Favored Pre-proline 0 N--CA 1.445 -0.693 0 N-CA-C 114.976 1.473 . . . . 28.86 114.976 -177.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -64.62 -32.13 58.63 Favored 'Trans proline' 0 CA--C 1.491 -1.664 0 C-N-CA 122.616 2.211 . . . . 25.78 115.33 -178.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . . . -94.99 22.63 6.34 Favored 'General case' 0 CA--C 1.495 -1.145 0 CA-C-O 118.163 -0.922 . . . . 23.74 112.953 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 55.3 tp -86.06 133.5 33.89 Favored 'General case' 0 N--CA 1.438 -1.047 0 O-C-N 124.158 0.911 . . . . 22.78 113.406 -178.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -146.42 177.69 8.84 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 124.003 0.921 . . . . 33.78 110.53 178.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 54.2 t -85.42 124.28 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.478 0 CA-C-N 115.387 -0.824 . . . . 17.38 109.748 174.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -96.64 -12.09 24.36 Favored 'General case' 0 C--O 1.17 -3.113 0 CA-C-O 122.462 1.125 . . . . 16.93 109.683 179.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 47.5 p90 177.31 154.54 0.27 Allowed 'General case' 0 CA--C 1.551 0.997 0 O-C-N 119.808 -1.808 . . . . 30.61 110.564 174.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -74.39 147.55 42.0 Favored 'General case' 0 N--CA 1.413 -2.287 0 CA-C-N 113.576 -1.647 . . . . 35.68 111.452 179.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 96.35 -173.59 30.16 Favored Glycine 0 C--O 1.213 -1.2 0 N-CA-C 109.187 -1.565 . . . . 20.53 109.187 179.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -79.7 149.05 31.32 Favored 'General case' 0 CA--C 1.495 -1.167 0 N-CA-C 112.472 0.545 . . . . 36.49 112.472 178.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 97.6 m -64.86 157.96 26.45 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 120.409 -0.516 . . . . 22.12 110.719 173.967 -65.803 -49.441 101.492 109.546 2.009 105.298 56.708 -177.232 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? . . . . . 0 CA--C 1.547 0.857 0 CA-C-O 121.947 0.879 . . . . 32.32 111.078 175.445 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' HOH . . . . . 0.605 ' O ' ' N ' ' A' ' 92' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 121.092 0.472 . . . . 48.240000000000002 111.162 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -158.1 152.32 24.33 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.112 -0.992 . . . . 45.960000000000001 113.471 174.587 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.7 m -69.26 -23.74 63.89 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 118.992 -1.083 . . . . 46.719999999999999 113.747 178.596 -90.213 -50.257 -80.522 112.771 2.095 104.139 -90.388 -179.403 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . . . -57.11 141.56 45.61 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.546 -0.539 . . . . 48.880000000000003 109.546 -179.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . . . 61.05 25.53 15.55 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 114.677 1.362 . . . . 48.420000000000002 114.677 178.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 85.7 t -121.18 113.88 41.23 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.803 0 N-CA-C 105.895 -1.891 . . . . 47.149999999999999 105.895 179.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . . . -98.81 115.64 29.24 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 123.928 0.768 . . . . 44.600000000000001 110.717 177.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 66.6 m -84.11 -16.65 42.87 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 113.773 1.027 . . . . 42.850000000000001 113.773 -178.344 -72.559 -76.124 -77.355 105.226 2.017 107.906 -61.707 -72.618 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 99.55 -176.16 28.54 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-O 121.84 0.689 . . . . 43.649999999999999 111.972 -177.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -71.35 137.64 31.32 Favored 'Trans proline' 0 C--N 1.326 -0.635 0 C-N-CA 120.828 1.019 . . . . 44.219999999999999 111.985 177.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.67 2.46 89.89 Favored Glycine 0 C--O 1.22 -0.763 0 O-C-N 124.954 1.409 . . . . 42.359999999999999 115.243 179.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -133.16 153.1 51.84 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 116.927 0.363 . . . . 39.380000000000003 110.583 178.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . . . -138.98 148.76 43.89 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 105.915 -1.883 . . . . 36.200000000000003 105.915 -179.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 54.0 t -82.81 143.38 30.86 Favored 'General case' 0 C--O 1.197 -1.673 0 N-CA-C 113.235 0.828 . . . . 39.979999999999997 113.235 -179.563 -179.403 -90.388 -80.522 104.139 2.095 112.771 -50.257 -90.213 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.5 ttp85 -154.32 137.71 15.84 Favored 'General case' 0 CA--C 1.553 1.09 0 O-C-N 121.81 -0.556 . . . . 52.5 110.271 -177.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 76.1 mmm -79.83 130.77 35.59 Favored 'General case' 0 N--CA 1.426 -1.634 0 N-CA-C 108.938 -0.764 . . . . 39.579999999999998 108.938 179.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 38.3 p30 -87.19 -175.38 5.28 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 109.5 -0.556 . . . . 32.909999999999997 109.5 178.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . . . -69.03 4.83 1.36 Allowed 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 124.441 1.088 . . . . 36.68 113.274 -177.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -117.81 12.23 13.8 Favored 'General case' 0 C--O 1.196 -1.737 0 CA-C-N 116.09 -0.505 . . . . 47.710000000000001 111.09 176.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 63.67 28.02 14.92 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 113.423 0.898 . . . . 32.259999999999998 113.423 -178.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -109.92 129.63 23.72 Favored Pre-proline 0 CA--C 1.546 0.805 0 N-CA-C 108.34 -0.985 . . . . 31.899999999999999 108.34 175.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -68.54 136.27 35.93 Favored 'Trans proline' 0 N--CA 1.45 -1.048 0 C-N-CA 121.206 1.27 . . . . 29.52 110.479 176.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -137.67 148.46 45.75 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 124.304 1.041 . . . . 34.200000000000003 111.746 179.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 66.4 m -91.62 108.38 19.86 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 107.928 -1.138 . . . . 32.229999999999997 107.928 179.345 -72.618 -61.707 -77.355 107.906 2.017 105.226 -76.124 -72.559 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.4 m -107.37 146.75 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.566 0 CA-C-O 121.673 0.749 . . . . 29.870000000000001 110.967 -179.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 95.0 m -59.81 117.08 4.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.029 -0.987 . . . . 31.75 109.78 -178.87 -68.85 -87.788 -83.906 98.43 2.045 113.339 -77.577 169.184 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -135.58 68.98 67.09 Favored Pre-proline 0 N--CA 1.486 1.364 0 C-N-CA 124.337 1.055 . . . . 31.960000000000001 109.428 178.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -65.33 146.17 85.22 Favored 'Trans proline' 0 C--O 1.185 -2.131 0 C-N-CA 121.441 1.428 . . . . 31.800000000000001 113.897 -175.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ASP . . . . . 0.443 ' OD1' ' OG ' ' A' ' 94' ' ' SER . 0.4 OUTLIER -91.02 128.53 36.88 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.507 -1.37 . . . . 47.170000000000002 108.37 178.765 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 37.7 m -117.09 22.11 12.77 Favored 'General case' 0 C--O 1.195 -1.804 0 N-CA-C 114.675 1.361 . . . . 31.0 114.675 -175.477 -51.984 166.331 76.696 106.107 2.072 108.845 50.248 -158.472 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' SER . . . . . 0.443 ' OG ' ' OD1' ' A' ' 92' ' ' ASP . 2.6 p -74.95 -17.58 60.53 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 113.668 0.988 . . . . 28.920000000000002 113.668 -177.006 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -88.57 -6.46 57.54 Favored 'General case' 0 C--O 1.244 0.804 0 O-C-N 124.13 0.894 . . . . 35.850000000000001 112.859 -178.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.5 mp -61.95 148.55 10.03 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.85 0 O-C-N 124.078 0.861 . . . . 35.689999999999998 112.673 -177.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 98' ' ' TRP . 66.8 p -106.87 -66.33 1.02 Allowed 'General case' 0 C--O 1.205 -1.27 0 O-C-N 119.598 -1.939 . . . . 30.359999999999999 111.358 175.576 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' TRP . . . . . 0.457 ' N ' ' OG1' ' A' ' 97' ' ' THR . 68.9 t-105 -66.08 130.91 44.88 Favored 'General case' 0 C--O 1.201 -1.477 0 O-C-N 121.286 -0.883 . . . . 33.189999999999998 109.55 176.057 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . . . -107.45 2.35 24.19 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 119.152 -1.019 . . . . 21.780000000000001 113.34 -177.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -91.97 -171.89 41.96 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 118.194 0.452 . . . . 19.109999999999999 113.348 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -63.89 154.91 67.13 Favored 'Trans proline' 0 C--N 1.324 -0.711 0 CA-C-N 117.396 0.598 . . . . 19.359999999999999 110.73 179.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.7 m -136.42 151.03 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.044 0 O-C-N 124.856 1.348 . . . . 15.99 108.313 -178.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 46.8 t -99.02 115.17 28.34 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.279 -0.873 . . . . 15.630000000000001 110.074 179.158 -177.232 56.708 101.492 105.298 2.009 109.546 -49.441 -65.803 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.73 157.55 49.14 Favored Glycine 0 C--O 1.188 -2.768 0 N-CA-C 116.198 1.239 . . . . 12.67 116.198 -179.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 32.3 tp -65.16 -3.73 4.17 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 121.066 -1.255 . . . . 21.109999999999999 109.918 179.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.4 p-10 -94.08 0.76 56.09 Favored 'General case' 0 C--N 1.316 -0.856 0 O-C-N 121.044 -1.035 . . . . 20.390000000000001 110.581 176.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.34 6.73 87.48 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 116.388 1.315 . . . . 14.91 116.388 -179.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . . . -105.86 139.43 40.44 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.649 0.852 . . . . 17.379999999999999 109.161 179.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 94.8 m -77.18 142.68 39.52 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-N 114.634 -1.166 . . . . 16.039999999999999 108.679 175.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -121.75 134.14 54.93 Favored 'General case' 0 CA--C 1.506 -0.725 0 N-CA-C 106.854 -1.536 . . . . 17.350000000000001 106.854 174.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 4.9 ptt85 -48.15 -31.6 5.88 Favored 'General case' 0 CA--C 1.484 -1.575 0 CA-C-O 118.541 -0.742 . . . . 31.030000000000001 112.071 179.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -164.34 173.82 11.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 123.915 0.759 . . . . 19.329999999999998 109.231 174.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -68.44 -29.34 67.97 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 114.131 1.16 . . . . 25.18 114.131 -177.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 5.4 t -56.56 -43.4 79.91 Favored 'General case' 0 N--CA 1.431 -1.384 0 CA-C-O 121.704 0.764 . . . . 31.280000000000001 110.43 178.811 -158.472 50.248 76.696 108.845 2.072 106.107 166.331 -51.984 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.8 -38.66 83.59 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-N 114.582 -1.19 . . . . 16.539999999999999 112.567 177.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.1 tt -60.94 -39.95 91.45 Favored 'General case' 0 C--O 1.204 -1.307 0 C-N-CA 119.464 -0.895 . . . . 14.74 109.431 176.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 65.2 mt -67.4 -35.34 79.09 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 123.113 1.435 . . . . 19.120000000000001 111.884 179.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -62.43 -42.49 99.49 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 118.128 -1.429 . . . . 35.600000000000001 109.94 176.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -71.63 -32.76 68.31 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 122.119 0.962 . . . . 20.379999999999999 111.811 -175.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' ARG . . . . . 0.493 ' HA ' ' O ' ' A' ' 124' ' ' GLN . 34.0 ttm180 -58.65 -52.46 65.58 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-N 113.61 -1.632 . . . . 35.869999999999997 108.158 175.588 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 12.9 t -64.8 -36.03 83.0 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 114.599 1.333 . . . . 32.299999999999997 114.599 179.839 169.184 -77.577 -83.906 113.339 2.045 98.43 -87.788 -68.85 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' LYS . . . . . 0.505 ' HD3' ' O ' ' A' ' 27' ' ' HOH . 27.1 mtpp -83.06 -36.1 25.19 Favored 'General case' 0 C--O 1.212 -0.869 0 N-CA-C 114.349 1.24 . . . . 42.380000000000003 114.349 -177.868 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -140.08 -36.78 0.49 Allowed 'General case' 0 C--O 1.19 -2.036 0 N-CA-C 118.396 2.739 . . . . 46.189999999999998 118.396 -176.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' GLN . . . . . 0.493 ' O ' ' HA ' ' A' ' 120' ' ' ARG . 55.4 mt-30 -116.51 97.99 50.92 Favored Pre-proline 0 N--CA 1.445 -0.693 0 N-CA-C 114.976 1.473 . . . . 28.859999999999999 114.976 -177.189 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -64.62 -32.13 58.63 Favored 'Trans proline' 0 CA--C 1.491 -1.664 0 C-N-CA 122.616 2.211 . . . . 25.780000000000001 115.33 -178.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . . . -94.99 22.63 6.34 Favored 'General case' 0 CA--C 1.495 -1.145 0 CA-C-O 118.163 -0.922 . . . . 23.739999999999998 112.953 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 55.3 tp -86.06 133.5 33.89 Favored 'General case' 0 N--CA 1.438 -1.047 0 O-C-N 124.158 0.911 . . . . 22.780000000000001 113.406 -178.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -146.42 177.69 8.84 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 124.003 0.921 . . . . 33.780000000000001 110.53 178.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 54.2 t -85.42 124.28 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.478 0 CA-C-N 115.387 -0.824 . . . . 17.379999999999999 109.748 174.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -96.64 -12.09 24.36 Favored 'General case' 0 C--O 1.17 -3.113 0 CA-C-O 122.462 1.125 . . . . 16.93 109.683 179.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 47.5 p90 177.31 154.54 0.27 Allowed 'General case' 0 CA--C 1.551 0.997 0 O-C-N 119.808 -1.808 . . . . 30.609999999999999 110.564 174.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -74.39 147.55 42.0 Favored 'General case' 0 N--CA 1.413 -2.287 0 CA-C-N 113.576 -1.647 . . . . 35.68 111.452 179.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 96.35 -173.59 30.16 Favored Glycine 0 C--O 1.213 -1.2 0 N-CA-C 109.187 -1.565 . . . . 20.530000000000001 109.187 179.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -79.7 149.05 31.32 Favored 'General case' 0 CA--C 1.495 -1.167 0 N-CA-C 112.472 0.545 . . . . 36.490000000000002 112.472 178.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 97.6 m -64.86 157.96 26.45 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 120.409 -0.516 . . . . 22.120000000000001 110.719 173.967 -65.803 -49.441 101.492 109.546 2.009 105.298 56.708 -177.232 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' LYS . . . . . 0.422 ' HE2' ' HA ' ' A' ' 136' ' ' LYS . 9.5 mmpt? . . . . . 0 CA--C 1.547 0.857 0 CA-C-O 121.947 0.879 . . . . 32.32 111.078 175.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 27' ' ' HOH . . . . . 0.505 ' O ' ' HD3' ' A' ' 122' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 121.092 0.472 . . . . 48.240000000000002 111.162 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -158.1 152.32 24.33 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.112 -0.992 . . . . 45.960000000000001 113.471 174.587 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 1.7 m -69.26 -23.74 63.89 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 118.992 -1.083 . . . . 46.719999999999999 113.747 178.596 -90.213 -50.257 -80.522 112.771 2.095 104.139 -90.388 -179.403 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . . . -57.11 141.56 45.61 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.546 -0.539 . . . . 48.880000000000003 109.546 -179.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . . . 61.05 25.53 15.55 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 114.677 1.362 . . . . 48.420000000000002 114.677 178.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 85.7 t -121.18 113.88 41.23 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.803 0 N-CA-C 105.895 -1.891 . . . . 47.149999999999999 105.895 179.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . . . -98.81 115.64 29.24 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 123.928 0.768 . . . . 44.600000000000001 110.717 177.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 66.6 m -84.11 -16.65 42.87 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 113.773 1.027 . . . . 42.850000000000001 113.773 -178.344 -72.559 -76.124 -77.355 105.226 2.017 107.906 -61.707 -72.618 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 99.55 -176.16 28.54 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-O 121.84 0.689 . . . . 43.649999999999999 111.972 -177.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -71.35 137.64 31.32 Favored 'Trans proline' 0 C--N 1.326 -0.635 0 C-N-CA 120.828 1.019 . . . . 44.219999999999999 111.985 177.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.67 2.46 89.89 Favored Glycine 0 C--O 1.22 -0.763 0 O-C-N 124.954 1.409 . . . . 42.359999999999999 115.243 179.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -133.16 153.1 51.84 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-N 116.927 0.363 . . . . 39.380000000000003 110.583 178.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . . . -138.98 148.76 43.89 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 105.915 -1.883 . . . . 36.200000000000003 105.915 -179.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 54.0 t -82.81 143.38 30.86 Favored 'General case' 0 C--O 1.197 -1.673 0 N-CA-C 113.235 0.828 . . . . 39.979999999999997 113.235 -179.563 -179.403 -90.388 -80.522 104.139 2.095 112.771 -50.257 -90.213 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.5 ttp85 -154.32 137.71 15.84 Favored 'General case' 0 CA--C 1.553 1.09 0 O-C-N 121.81 -0.556 . . . . 52.5 110.271 -177.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 76.1 mmm -79.83 130.77 35.59 Favored 'General case' 0 N--CA 1.426 -1.634 0 N-CA-C 108.938 -0.764 . . . . 39.579999999999998 108.938 179.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 38.3 p30 -87.19 -175.38 5.28 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 109.5 -0.556 . . . . 32.909999999999997 109.5 178.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . . . -69.03 4.83 1.36 Allowed 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 124.441 1.088 . . . . 36.68 113.274 -177.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -117.81 12.23 13.8 Favored 'General case' 0 C--O 1.196 -1.737 0 CA-C-N 116.09 -0.505 . . . . 47.710000000000001 111.09 176.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 63.67 28.02 14.92 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 113.423 0.898 . . . . 32.259999999999998 113.423 -178.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . . . -109.92 129.63 23.72 Favored Pre-proline 0 CA--C 1.546 0.805 0 N-CA-C 108.34 -0.985 . . . . 31.899999999999999 108.34 175.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -68.54 136.27 35.93 Favored 'Trans proline' 0 N--CA 1.45 -1.048 0 C-N-CA 121.206 1.27 . . . . 29.52 110.479 176.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -137.67 148.46 45.75 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 124.304 1.041 . . . . 34.200000000000003 111.746 179.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 66.4 m -91.62 108.38 19.86 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 107.928 -1.138 . . . . 32.229999999999997 107.928 179.345 -72.618 -61.707 -77.355 107.906 2.017 105.226 -76.124 -72.559 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.4 m -107.37 146.75 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.566 0 CA-C-O 121.673 0.749 . . . . 29.870000000000001 110.967 -179.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 95.0 m -59.81 117.08 4.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.029 -0.987 . . . . 31.75 109.78 -178.87 -68.85 -87.788 -83.906 98.43 2.045 113.339 -77.577 169.184 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -135.58 68.98 67.09 Favored Pre-proline 0 N--CA 1.486 1.364 0 C-N-CA 124.337 1.055 . . . . 31.960000000000001 109.428 178.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -65.33 146.17 85.22 Favored 'Trans proline' 0 C--O 1.185 -2.131 0 C-N-CA 121.441 1.428 . . . . 31.800000000000001 113.897 -175.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.443 ' OD1' ' OG ' ' A' ' 94' ' ' SER . 0.4 OUTLIER -91.02 128.53 36.88 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.507 -1.37 . . . . 47.170000000000002 108.37 178.765 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 37.7 m -117.09 22.11 12.77 Favored 'General case' 0 C--O 1.195 -1.804 0 N-CA-C 114.675 1.361 . . . . 31.0 114.675 -175.477 -51.984 166.331 76.696 106.107 2.072 108.845 50.248 -158.472 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' SER . . . . . 0.443 ' OG ' ' OD1' ' A' ' 92' ' ' ASP . 2.6 p -74.95 -17.58 60.53 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 113.668 0.988 . . . . 28.920000000000002 113.668 -177.006 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -88.57 -6.46 57.54 Favored 'General case' 0 C--O 1.244 0.804 0 O-C-N 124.13 0.894 . . . . 35.850000000000001 112.859 -178.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.5 mp -61.95 148.55 10.03 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.85 0 O-C-N 124.078 0.861 . . . . 35.689999999999998 112.673 -177.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 98' ' ' TRP . 66.8 p -106.87 -66.33 1.02 Allowed 'General case' 0 C--O 1.205 -1.27 0 O-C-N 119.598 -1.939 . . . . 30.359999999999999 111.358 175.576 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.457 ' N ' ' OG1' ' A' ' 97' ' ' THR . 68.9 t-105 -66.08 130.91 44.88 Favored 'General case' 0 C--O 1.201 -1.477 0 O-C-N 121.286 -0.883 . . . . 33.189999999999998 109.55 176.057 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . . . -107.45 2.35 24.19 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 119.152 -1.019 . . . . 21.780000000000001 113.34 -177.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -91.97 -171.89 41.96 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 118.194 0.452 . . . . 19.109999999999999 113.348 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -63.89 154.91 67.13 Favored 'Trans proline' 0 C--N 1.324 -0.711 0 CA-C-N 117.396 0.598 . . . . 19.359999999999999 110.73 179.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.7 m -136.42 151.03 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.044 0 O-C-N 124.856 1.348 . . . . 15.99 108.313 -178.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 46.8 t -99.02 115.17 28.34 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.279 -0.873 . . . . 15.630000000000001 110.074 179.158 -177.232 56.708 101.492 105.298 2.009 109.546 -49.441 -65.803 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.73 157.55 49.14 Favored Glycine 0 C--O 1.188 -2.768 0 N-CA-C 116.198 1.239 . . . . 12.67 116.198 -179.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 32.3 tp -65.16 -3.73 4.17 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 121.066 -1.255 . . . . 21.109999999999999 109.918 179.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 47.4 p-10 -94.08 0.76 56.09 Favored 'General case' 0 C--N 1.316 -0.856 0 O-C-N 121.044 -1.035 . . . . 20.390000000000001 110.581 176.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.34 6.73 87.48 Favored Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 116.388 1.315 . . . . 14.91 116.388 -179.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . . . -105.86 139.43 40.44 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.649 0.852 . . . . 17.379999999999999 109.161 179.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 94.8 m -77.18 142.68 39.52 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-N 114.634 -1.166 . . . . 16.039999999999999 108.679 175.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -121.75 134.14 54.93 Favored 'General case' 0 CA--C 1.506 -0.725 0 N-CA-C 106.854 -1.536 . . . . 17.350000000000001 106.854 174.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 4.9 ptt85 -48.15 -31.6 5.88 Favored 'General case' 0 CA--C 1.484 -1.575 0 CA-C-O 118.541 -0.742 . . . . 31.030000000000001 112.071 179.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -164.34 173.82 11.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 123.915 0.759 . . . . 19.329999999999998 109.231 174.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -68.44 -29.34 67.97 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 114.131 1.16 . . . . 25.18 114.131 -177.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' CYS . . . . . . . . . . . . . 5.4 t -56.56 -43.4 79.91 Favored 'General case' 0 N--CA 1.431 -1.384 0 CA-C-O 121.704 0.764 . . . . 31.280000000000001 110.43 178.811 -158.472 50.248 76.696 108.845 2.072 106.107 166.331 -51.984 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.8 -38.66 83.59 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-N 114.582 -1.19 . . . . 16.539999999999999 112.567 177.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.1 tt -60.94 -39.95 91.45 Favored 'General case' 0 C--O 1.204 -1.307 0 C-N-CA 119.464 -0.895 . . . . 14.74 109.431 176.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 65.2 mt -67.4 -35.34 79.09 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 123.113 1.435 . . . . 19.120000000000001 111.884 179.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -62.43 -42.49 99.49 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 118.128 -1.429 . . . . 35.600000000000001 109.94 176.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -71.63 -32.76 68.31 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 122.119 0.962 . . . . 20.379999999999999 111.811 -175.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.493 ' HA ' ' O ' ' A' ' 124' ' ' GLN . 34.0 ttm180 -58.65 -52.46 65.58 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-N 113.61 -1.632 . . . . 35.869999999999997 108.158 175.588 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 12.9 t -64.8 -36.03 83.0 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 114.599 1.333 . . . . 32.299999999999997 114.599 179.839 169.184 -77.577 -83.906 113.339 2.045 98.43 -87.788 -68.85 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.505 ' HD3' ' O ' ' A' ' 27' ' ' HOH . 27.1 mtpp -83.06 -36.1 25.19 Favored 'General case' 0 C--O 1.212 -0.869 0 N-CA-C 114.349 1.24 . . . . 42.380000000000003 114.349 -177.868 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -140.08 -36.78 0.49 Allowed 'General case' 0 C--O 1.19 -2.036 0 N-CA-C 118.396 2.739 . . . . 46.189999999999998 118.396 -176.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.493 ' O ' ' HA ' ' A' ' 120' ' ' ARG . 55.4 mt-30 -116.51 97.99 50.92 Favored Pre-proline 0 N--CA 1.445 -0.693 0 N-CA-C 114.976 1.473 . . . . 28.859999999999999 114.976 -177.189 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -64.62 -32.13 58.63 Favored 'Trans proline' 0 CA--C 1.491 -1.664 0 C-N-CA 122.616 2.211 . . . . 25.780000000000001 115.33 -178.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . . . -94.99 22.63 6.34 Favored 'General case' 0 CA--C 1.495 -1.145 0 CA-C-O 118.163 -0.922 . . . . 23.739999999999998 112.953 -178.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 55.3 tp -86.06 133.5 33.89 Favored 'General case' 0 N--CA 1.438 -1.047 0 O-C-N 124.158 0.911 . . . . 22.780000000000001 113.406 -178.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -146.42 177.69 8.84 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 124.003 0.921 . . . . 33.780000000000001 110.53 178.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 54.2 t -85.42 124.28 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.478 0 CA-C-N 115.387 -0.824 . . . . 17.379999999999999 109.748 174.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -96.64 -12.09 24.36 Favored 'General case' 0 C--O 1.17 -3.113 0 CA-C-O 122.462 1.125 . . . . 16.93 109.683 179.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 47.5 p90 177.31 154.54 0.27 Allowed 'General case' 0 CA--C 1.551 0.997 0 O-C-N 119.808 -1.808 . . . . 30.609999999999999 110.564 174.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -74.39 147.55 42.0 Favored 'General case' 0 N--CA 1.413 -2.287 0 CA-C-N 113.576 -1.647 . . . . 35.68 111.452 179.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 96.35 -173.59 30.16 Favored Glycine 0 C--O 1.213 -1.2 0 N-CA-C 109.187 -1.565 . . . . 20.530000000000001 109.187 179.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -79.7 149.05 31.32 Favored 'General case' 0 CA--C 1.495 -1.167 0 N-CA-C 112.472 0.545 . . . . 36.490000000000002 112.472 178.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 97.6 m -64.86 157.96 26.45 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 120.409 -0.516 . . . . 22.120000000000001 110.719 173.967 -65.803 -49.441 101.492 109.546 2.009 105.298 56.708 -177.232 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.422 ' HE2' ' HA ' ' A' ' 136' ' ' LYS . 9.5 mmpt? . . . . . 0 CA--C 1.547 0.857 0 CA-C-O 121.947 0.879 . . . . 32.32 111.078 175.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' HOH . . . . . 0.505 ' O ' ' HD3' ' A' ' 122' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_