data_1heg_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 1heg _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 ' E' E ' 1' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo . . . . . 0 CA--C 1.535 0.564 0 CA-C-O 123.922 1.551 . . . . 20.55 110.739 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -108.91 130.63 55.44 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 129.542 3.137 . . . . 42.68 107.999 -179.845 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 mt -128.21 115.85 39.95 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 O-C-N 127.226 2.829 . . . . 25.62 117.839 -178.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 4' ' ' THR . . . . . . . . . . . . . 62.4 p -93.26 148.57 21.92 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 103.632 -2.729 . . . . 25.02 103.632 178.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . . 95.4 mt -92.53 37.87 1.01 Allowed 'General case' 0 C--O 1.259 1.603 0 N-CA-C 119.299 3.074 . . . . 30.84 119.299 -178.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 6' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -75.48 -31.82 60.37 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 107.023 -1.473 . . . . 19.62 107.023 178.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -129.04 145.72 51.19 Favored 'General case' 0 C--O 1.269 2.114 0 O-C-N 127.007 2.692 . . . . 34.84 110.911 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 8' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -47.14 139.49 7.24 Favored Pre-proline 0 C--O 1.255 1.361 0 N-CA-C 105.895 -1.891 . . . . 28.65 105.895 179.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 9' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -75.22 91.98 1.02 Allowed 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 124.298 3.332 . . . . 20.66 111.838 179.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 85.0 mt -105.74 156.08 18.65 Favored 'General case' 0 N--CA 1.498 1.927 0 C-N-CA 112.764 -3.574 . . . . 24.27 111.276 -177.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -146.89 156.22 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 O-C-N 127.644 3.09 . . . . 26.91 109.392 179.18 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 10.8 m -88.7 125.73 34.99 Favored 'General case' 0 C--N 1.295 -1.773 1 C-N-CA 135.839 5.655 . . . . 25.33 107.613 178.045 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 10.1 pt -129.76 160.16 41.05 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 O-C-N 126.729 2.518 . . . . 19.76 108.452 -179.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 14' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -134.43 119.11 18.15 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 102.181 -3.266 . . . . 16.84 102.181 178.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 15' ' ' ILE . . . . . 0.474 ' O ' ' C ' ' E' ' 16' ' ' GLY . 0.1 OUTLIER -137.03 122.26 25.71 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 O-C-N 128.542 3.651 . . . . 27.72 111.234 -178.667 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' E' E ' 16' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' E' ' 15' ' ' ILE . . . 33.57 72.66 0.09 OUTLIER Glycine 0 N--CA 1.483 1.789 0 CA-C-N 110.993 -2.821 . . . . 29.62 107.549 179.32 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 17' ' ' GLY . . . . . . . . . . . . . . . 56.79 -2.06 0.09 OUTLIER Glycine 0 N--CA 1.404 -3.433 1 N-CA-C 125.249 4.86 . . . . 32.78 125.249 179.485 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 18' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -112.0 132.4 54.81 Favored 'General case' 0 C--N 1.284 -2.256 0 CA-C-N 123.983 3.891 . . . . 28.02 112.876 -179.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 19' ' ' LEU . . . . . 0.436 ' CD2' ' O ' ' E' ' 102' ' ' HOH . 2.6 mm? -88.45 109.3 19.92 Favored 'General case' 0 C--N 1.289 -2.036 0 C-N-CA 130.98 3.712 . . . . 27.49 113.068 179.377 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 20' ' ' LYS . . . . . 0.858 ' CE ' ' O ' ' E' ' 129' ' ' HOH 0.309 0.3 OUTLIER -123.61 173.62 7.96 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.774 2.029 . . . . 28.0 112.067 179.964 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' E' E ' 21' ' ' GLU . . . . . 1.045 ' CG ' ' O ' ' E' ' 124' ' ' HOH . 16.3 mt-10 -120.06 137.6 54.02 Favored 'General case' 0 CA--C 1.584 2.282 0 N-CA-C 102.173 -3.269 . . . . 30.15 102.173 177.189 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -130.84 158.61 39.7 Favored 'General case' 0 C--N 1.284 -2.252 0 C-N-CA 126.469 1.908 . . . . 15.77 106.557 -179.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 23' ' ' LEU . . . . . 0.529 ' C ' ' CD2' ' E' ' 23' ' ' LEU . 0.0 OUTLIER -100.54 124.58 46.29 Favored 'General case' 0 C--N 1.303 -1.45 1 O-C-N 130.132 4.645 . . . . 21.96 111.522 179.91 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' E' E ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.93 112.69 16.36 Favored 'General case' 0 N--CA 1.512 2.673 0 O-C-N 127.143 2.777 . . . . 19.28 105.068 179.691 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 25' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -121.56 100.62 7.12 Favored 'General case' 0 CA--C 1.49 -1.364 0 N-CA-C 117.879 2.548 . . . . 23.56 117.879 -177.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 26' ' ' THR . . . . . . . . . . . . . 60.6 p -62.88 -22.46 66.73 Favored 'General case' 0 C--O 1.261 1.694 0 C-N-CA 126.897 2.079 . . . . 20.72 113.043 177.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.84 20.07 49.31 Favored Glycine 0 N--CA 1.491 2.346 0 CA-C-O 124.313 2.063 . . . . 16.94 111.933 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.96 111.61 15.62 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 119.66 -2.082 . . . . 15.42 110.33 -178.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 29' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -66.93 -25.54 66.4 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 127.342 2.257 . . . . 19.07 110.004 -178.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -130.67 154.63 47.72 Favored 'General case' 0 CA--C 1.503 -0.848 1 N-CA-C 122.616 4.302 . . . . 26.92 122.616 -176.712 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 31' ' ' THR . . . . . . . . . . . . . 36.0 m -95.03 114.91 26.77 Favored 'General case' 0 C--O 1.258 1.52 0 C-N-CA 126.414 1.886 . . . . 19.82 107.499 179.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 32' ' ' VAL . . . . . . . . . . . . . 7.1 p -132.34 121.5 45.97 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 C-N-CA 127.789 2.436 . . . . 22.48 110.107 179.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.92 146.42 50.31 Favored 'General case' 0 C--O 1.241 0.605 0 CA-C-N 111.839 -2.437 . . . . 25.44 107.939 -177.563 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 34' ' ' GLU . . . . . 0.803 ' O ' ' CG1' ' E' ' 77' ' ' VAL . 65.9 mt-10 -45.15 -177.63 0.0 OUTLIER 'General case' 0 C--N 1.285 -2.208 0 C-N-CA 131.059 3.743 . . . . 39.46 111.413 179.887 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 35' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -76.29 122.68 24.77 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 114.083 -3.047 . . . . 27.26 108.485 -179.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 36' ' ' ASN . . . . . 0.69 ' CG ' ' O ' ' E' ' 129' ' ' HOH 0.402 19.9 p-10 -130.57 164.72 24.29 Favored 'General case' 0 N--CA 1.503 2.204 0 N-CA-C 102.319 -3.215 . . . . 35.7 102.319 179.372 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 8.7 t -87.23 101.6 13.67 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 102.392 -3.188 . . . . 38.79 102.392 -179.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 38' ' ' LEU . . . . . . . . . . . . . 5.6 tp -122.78 141.07 34.45 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 128.817 3.823 . . . . 31.01 104.6 -179.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 39' ' ' PRO . . . . . 0.515 ' CG ' ' O ' ' E' ' 39' ' ' PRO 0.257 0.0 OUTLIER -113.96 140.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.319 -0.979 0 C-N-CA 123.161 2.574 . . . . 30.12 109.921 -178.794 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.46 -179.14 19.04 Favored Glycine 0 CA--C 1.545 1.932 0 CA-C-O 113.961 -3.688 . . . . 29.02 106.913 179.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 41' ' ' ARG . . . . . 0.779 ' C ' ' O ' ' E' ' 128' ' ' HOH . 0.0 OUTLIER -92.66 145.52 24.36 Favored 'General case' 0 C--O 1.275 2.407 1 O-C-N 130.769 4.452 . . . . 48.28 102.773 179.364 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' E' E ' 42' ' ' TRP . . . . . 0.889 ' N ' ' O ' ' E' ' 128' ' ' HOH . 62.4 p-90 -133.23 171.23 14.3 Favored 'General case' 0 C--N 1.308 -1.211 1 O-C-N 131.791 5.682 . . . . 35.4 109.47 -179.541 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' E' E ' 43' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -133.9 145.92 57.9 Favored Pre-proline 0 C--O 1.243 0.728 0 CA-C-N 110.057 -3.247 . . . . 29.75 114.018 -179.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 44' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -73.59 146.53 39.09 Favored 'Trans proline' 0 C--N 1.319 -0.978 0 O-C-N 127.454 3.344 . . . . 33.09 103.504 178.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 45' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -165.68 159.93 16.87 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 127.329 2.893 . . . . 34.86 107.534 -179.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 46' ' ' MET . . . . . . . . . . . . . 60.9 mtm -125.58 144.12 50.71 Favored 'General case' 0 C--O 1.263 1.782 0 CA-C-O 124.72 2.2 . . . . 32.09 111.559 178.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -135.92 162.14 37.02 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 N-CA-C 105.717 -1.957 . . . . 23.19 105.717 179.559 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 48' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' E' ' 201' ' ' PSI . . . -125.95 151.32 17.77 Favored Glycine 0 C--N 1.317 -0.514 0 O-C-N 124.013 0.821 . . . . 26.85 112.981 -179.686 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -138.88 -175.5 14.04 Favored Glycine 0 N--CA 1.498 2.794 0 N-CA-C 104.316 -3.514 . . . . 21.05 104.316 -179.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 50' ' ' ILE . . . . . 0.484 ' CD1' ' N ' ' E' ' 51' ' ' GLY 0.382 1.8 pp -53.5 -46.83 60.01 Favored 'Isoleucine or valine' 0 C--O 1.286 2.999 0 CA-C-N 119.357 1.579 . . . . 26.24 113.938 -179.36 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' E' E ' 51' ' ' GLY . . . . . 0.484 ' N ' ' CD1' ' E' ' 50' ' ' ILE . . . -82.61 3.98 80.46 Favored Glycine 0 N--CA 1.437 -1.247 0 O-C-N 127.32 2.888 . . . . 26.5 117.67 -179.33 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 52' ' ' GLY . . . . . 0.576 ' C ' ' CD1' ' E' ' 53' ' ' PHE . . . 136.08 -141.19 12.26 Favored Glycine 0 C--O 1.215 -1.064 0 N-CA-C 122.653 3.821 . . . . 25.25 122.653 -179.598 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 53' ' ' PHE . . . . . 0.885 ' CD1' ' N ' ' E' ' 53' ' ' PHE . 0.0 OUTLIER -141.57 125.55 17.2 Favored 'General case' 0 N--CA 1.445 -0.713 1 O-C-N 116.33 -4.041 . . . . 38.64 115.798 -178.743 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' E' E ' 54' ' ' ILE . . . . . . . . . . . . 0.331 9.8 pt -109.46 145.19 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 N-CA-C 104.731 -2.322 . . . . 21.94 104.731 178.778 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 55' ' ' LYS . . . . . 0.668 ' NZ ' ' O ' ' E' ' 110' ' ' HOH . 20.8 mttt -83.14 139.76 33.0 Favored 'General case' 0 N--CA 1.491 1.61 1 N-CA-C 99.442 -4.281 . . . . 46.1 99.442 178.53 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' E' E ' 56' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -124.1 178.06 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 103.152 -2.907 . . . . 21.1 103.152 -178.623 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 57' ' ' ARG . . . . . 1.041 ' NH1' ' O ' ' E' ' 119' ' ' HOH . 0.1 OUTLIER -122.66 119.67 31.42 Favored 'General case' 0 C--N 1.285 -2.2 1 O-C-N 129.619 4.325 . . . . 40.77 101.208 -179.724 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' E' E ' 58' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -99.19 103.64 15.53 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 118.792 2.886 . . . . 22.52 118.792 -177.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -98.78 128.72 45.09 Favored 'General case' 0 N--CA 1.42 -1.94 1 C-N-CA 140.041 7.336 . . . . 24.67 107.632 179.377 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 60' ' ' ASP . . . . . 0.56 ' OD1' ' CG2' ' E' ' 74' ' ' THR . 63.6 m-20 -123.21 159.16 29.25 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 126.054 2.096 . . . . 36.17 109.271 -179.22 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 61' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 61.02 40.3 15.35 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 116.546 2.054 . . . . 30.37 116.546 178.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 62' ' ' ILE . . . . . . . . . . . . . 39.9 mm -91.77 139.48 17.74 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 CA-C-O 124.682 2.182 . . . . 26.09 106.967 177.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 63' ' ' LEU . . . . . . . . . . . . . 47.3 tp -88.89 128.81 35.68 Favored 'General case' 0 C--O 1.267 1.993 0 CA-C-N 109.911 -3.313 . . . . 24.35 106.509 177.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 mt -147.12 131.95 11.03 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 CA-C-O 115.088 -2.387 . . . . 21.89 108.181 -177.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 65' ' ' GLU . . . . . 0.648 ' CG ' ' O ' ' E' ' 101' ' ' HOH 0.255 3.5 mt-10 -104.25 112.68 25.8 Favored 'General case' 0 C--N 1.301 -1.53 1 O-C-N 131.023 5.202 . . . . 30.61 107.315 179.216 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' E' E ' 66' ' ' ILE . . . . . 0.593 ' O ' ' N ' ' E' ' 69' ' ' HIS . 0.8 OUTLIER -103.71 127.28 57.92 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 O-C-N 127.345 2.903 . . . . 30.72 105.757 -178.404 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' E' E ' 67' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' E' ' 66' ' ' ILE . 9.7 t 34.2 52.08 0.47 Allowed 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 127.375 3.464 . . . . 39.17 108.409 -179.755 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.68 18.98 68.78 Favored Glycine 0 C--N 1.34 0.755 0 O-C-N 118.107 -2.871 . . . . 32.69 114.592 178.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 69' ' ' HIS . . . . . 0.593 ' N ' ' O ' ' E' ' 66' ' ' ILE . 1.7 m80 -114.58 123.64 49.85 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 128.897 2.879 . . . . 37.85 107.359 178.538 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.85 131.68 34.04 Favored 'General case' 0 C--O 1.275 2.437 0 C-N-CA 123.805 0.842 . . . . 26.99 112.083 -178.935 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 71' ' ' ALA . . . . . . . . . . . . 0.323 . . -142.1 167.17 22.77 Favored 'General case' 0 C--O 1.252 1.231 0 N-CA-C 105.757 -1.942 . . . . 16.61 105.757 179.423 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 72' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -136.98 122.64 26.79 Favored 'Isoleucine or valine' 0 C--O 1.257 1.476 0 C-N-CA 124.219 1.007 . . . . 22.02 111.053 -179.005 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 73' ' ' GLY . . . . . . . . . . . . . . . -160.44 -167.17 20.6 Favored Glycine 0 N--CA 1.499 2.853 0 CA-C-O 126.199 3.11 . . . . 12.61 112.995 178.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 74' ' ' THR . . . . . 0.56 ' CG2' ' OD1' ' E' ' 60' ' ' ASP . 5.6 m -90.19 131.67 35.9 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 110.211 -2.994 . . . . 23.15 103.363 176.66 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 t -130.82 140.89 47.59 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.515 0 N-CA-C 103.69 -2.707 . . . . 26.38 103.69 -179.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 76' ' ' LEU . . . . . 0.418 ' CA ' ' O ' ' E' ' 123' ' ' HOH . 5.8 mt -120.03 132.18 55.38 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-O 113.106 -3.331 . . . . 24.62 106.139 -178.167 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 77' ' ' VAL . . . . . 0.803 ' CG1' ' O ' ' E' ' 34' ' ' GLU 0.264 0.2 OUTLIER -106.87 135.88 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.256 0 O-C-N 127.319 2.887 . . . . 25.6 109.976 -178.569 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' E' E ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.46 -175.36 37.33 Favored Glycine 0 N--CA 1.493 2.445 0 C-N-CA 117.385 -2.341 . . . . 19.43 110.853 -177.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 79' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -83.35 74.64 4.67 Favored 'Trans proline' 0 CA--C 1.49 -1.72 0 O-C-N 123.69 1.363 . . . . 19.99 111.413 -178.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 80' ' ' THR . . . . . . . . . . . . . 9.7 t -103.73 138.97 19.68 Favored Pre-proline 0 C--O 1.263 1.812 0 C-N-CA 129.185 2.994 . . . . 24.49 111.712 -179.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 81' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -62.47 -39.6 44.55 Favored 'Trans proline' 0 C--O 1.26 1.614 0 C-N-CA 122.402 2.068 . . . . 25.25 114.086 179.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 82' ' ' VAL . . . . . . . . . . . . . 17.4 m -139.0 148.27 24.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 C-N-CA 131.342 3.857 . . . . 20.68 114.255 -178.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 83' ' ' ASN . . . . . . . . . . . . 0.365 0.0 OUTLIER -76.63 147.78 37.34 Favored 'General case' 0 N--CA 1.505 2.298 0 N-CA-C 104.181 -2.525 . . . . 23.63 104.181 178.546 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' E' E ' 84' ' ' ILE . . . . . . . . . . . . . 96.3 mt -131.21 140.09 49.36 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 C-N-CA 125.24 1.416 . . . . 24.23 110.538 -176.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 85' ' ' ILE . . . . . 0.865 ' C ' ' O ' ' E' ' 121' ' ' HOH . 31.7 mm -107.96 112.47 40.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 100.286 -3.968 . . . . 23.82 100.286 176.089 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 86' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' E' ' 121' ' ' HOH . . . -97.98 177.14 31.26 Favored Glycine 0 N--CA 1.481 1.683 0 N-CA-C 106.318 -2.713 . . . . 19.07 106.318 -177.486 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 87' ' ' ARG . . . . . 0.541 ' O ' ' CG2' ' E' ' 91' ' ' THR . 24.5 mtm105 -60.98 -24.95 66.51 Favored 'General case' 0 C--N 1.269 -2.915 0 C-N-CA 131.038 3.735 . . . . 27.98 115.414 -178.853 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 88' ' ' ASN . . . . . . . . . . . . . 34.8 p-10 -69.12 -15.22 63.37 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 117.332 -1.318 . . . . 24.57 108.599 179.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 89' ' ' LEU . . . . . . . . . . . . 0.331 6.9 mt -112.08 -38.22 4.83 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 128.112 3.382 . . . . 25.17 111.452 -178.391 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 90' ' ' LEU . . . . . 0.681 ' CG ' ' O ' ' E' ' 121' ' ' HOH . 70.8 mt -62.16 -21.27 64.93 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 113.028 0.751 . . . . 21.67 113.028 179.497 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 91' ' ' THR . . . . . 0.541 ' CG2' ' O ' ' E' ' 87' ' ' ARG . 6.7 p -75.4 -33.48 60.97 Favored 'General case' 0 C--O 1.254 1.322 0 CA-C-O 123.017 1.389 . . . . 26.68 107.361 -178.791 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 92' ' ' GLN . . . . . 0.836 ' NE2' ' O ' ' E' ' 111' ' ' HOH 0.336 33.2 mt-30 -69.41 -36.46 76.74 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 112.102 -3.809 . . . . 32.09 117.726 -179.111 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' E' E ' 93' ' ' ILE . . . . . . . . . . . . . 44.2 pt -93.29 13.07 2.62 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.04 0 O-C-N 126.746 2.529 . . . . 29.9 107.074 178.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 94' ' ' GLY . . . . . . . . . . . . . . . 46.49 57.79 6.34 Favored Glycine 0 C--N 1.277 -2.705 1 C-N-CA 134.916 6.007 . . . . 14.85 115.894 -179.273 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 95' ' ' CYS . . . . . . . . . . . . . 6.3 t -79.34 130.53 35.53 Favored 'General case' 0 C--O 1.243 0.74 0 C-N-CA 129.277 3.031 . . . . 21.57 111.73 -179.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 96' ' ' THR . . . . . . . . . . . . . 61.4 p -126.57 159.74 32.65 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 123.467 1.603 . . . . 21.67 107.98 179.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 97' ' ' LEU . . . . . . . . . . . . 0.253 4.8 tp -102.89 150.1 23.85 Favored 'General case' 0 N--CA 1.519 2.977 0 CA-C-N 108.751 -3.841 . . . . 22.25 100.692 -179.953 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 98' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -143.88 145.29 32.2 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 128.825 3.828 . . . . 28.26 109.698 -179.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 99' ' ' PHE . . . . . . . . . . . . 0.335 0.4 OUTLIER . . . . . 0 C--O 1.266 1.96 0 O-C-N 126.928 2.642 . . . . 29.71 111.929 179.72 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 201' ' ' PSI . . . . . 0.523 CG11 ' C4 ' ' E' ' 201' ' ' PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 101' ' ' HOH . . . . . 0.648 ' O ' ' CG ' ' E' ' 65' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 102' ' ' HOH . . . . . 0.436 ' O ' ' CD2' ' E' ' 19' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 107' ' ' HOH . . . . . 0.612 ' O ' ' CD ' ' E' ' 65' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 110' ' ' HOH . . . . . 0.668 ' O ' ' NZ ' ' E' ' 55' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 111' ' ' HOH . . . . . 0.836 ' O ' ' NE2' ' E' ' 92' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 117' ' ' HOH . . . . . 0.82 ' O ' ' CZ ' ' E' ' 57' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 119' ' ' HOH . . . . . 1.041 ' O ' ' NH1' ' E' ' 57' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 121' ' ' HOH . . . . . 0.865 ' O ' ' C ' ' E' ' 85' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 123' ' ' HOH . . . . . 0.486 ' O ' ' CG2' ' E' ' 77' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 124' ' ' HOH . . . . . 1.045 ' O ' ' CG ' ' E' ' 21' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 125' ' ' HOH . . . . . 0.72 ' O ' ' CG ' ' E' ' 41' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 128' ' ' HOH . . . . . 0.889 ' O ' ' N ' ' E' ' 42' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 129' ' ' HOH . . . . . 0.858 ' O ' ' CE ' ' E' ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 1' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo . . . . . 0 CA--C 1.535 0.564 0 CA-C-O 123.922 1.551 . . . . 20.55 110.739 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -108.91 130.63 55.44 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 129.542 3.137 . . . . 42.68 107.999 -179.845 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 mt -128.21 115.85 39.95 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 O-C-N 127.226 2.829 . . . . 25.62 117.839 -178.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 4' ' ' THR . . . . . 0.586 HG23 ' O ' ' E' ' 118' ' ' HOH . 62.4 p -93.26 148.57 21.92 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 103.632 -2.729 . . . . 25.02 103.632 178.453 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 5' ' ' LEU . . . . . 0.436 ' CD2' ' HG3' ' E' ' 9' ' ' PRO . 95.4 mt -92.53 37.87 1.01 Allowed 'General case' 0 C--O 1.259 1.603 0 N-CA-C 119.299 3.074 . . . . 30.84 119.299 -178.144 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 6' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -75.48 -31.82 60.37 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 107.023 -1.473 . . . . 19.62 107.023 178.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -129.04 145.72 51.19 Favored 'General case' 0 C--O 1.269 2.114 0 O-C-N 127.007 2.692 . . . . 34.84 110.911 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 8' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -47.14 139.49 7.24 Favored Pre-proline 0 C--O 1.255 1.361 0 N-CA-C 105.895 -1.891 . . . . 28.65 105.895 179.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 9' ' ' PRO . . . . . 0.436 ' HG3' ' CD2' ' E' ' 5' ' ' LEU . 20.0 Cg_exo -75.22 91.98 1.02 Allowed 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 124.298 3.332 . . . . 20.66 111.838 179.924 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 85.0 mt -105.74 156.08 18.65 Favored 'General case' 0 N--CA 1.498 1.927 0 C-N-CA 112.764 -3.574 . . . . 24.27 111.276 -177.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 11' ' ' VAL . . . . . 0.551 ' O ' ' HA ' ' E' ' 21' ' ' GLU . 0.4 OUTLIER -146.89 156.22 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 O-C-N 127.644 3.09 . . . . 26.91 109.392 179.18 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 10.8 m -88.7 125.73 34.99 Favored 'General case' 0 C--N 1.295 -1.773 1 C-N-CA 135.839 5.655 . . . . 25.33 107.613 178.045 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 13' ' ' ILE . . . . . 0.737 HD12 HD11 ' E' ' 15' ' ' ILE . 10.1 pt -129.76 160.16 41.05 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 O-C-N 126.729 2.518 . . . . 19.76 108.452 -179.114 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 14' ' ' LYS . . . . . 0.465 ' HE2' ' O ' ' E' ' 116' ' ' HOH . 41.7 tttt -134.43 119.11 18.15 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 102.181 -3.266 . . . . 16.84 102.181 178.558 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 15' ' ' ILE . . . . . 0.737 HD11 HD12 ' E' ' 13' ' ' ILE . 0.1 OUTLIER -137.03 122.26 25.71 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 O-C-N 128.542 3.651 . . . . 27.72 111.234 -178.667 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' E' E ' 16' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' E' ' 15' ' ' ILE . . . 33.57 72.66 0.09 OUTLIER Glycine 0 N--CA 1.483 1.789 0 CA-C-N 110.993 -2.821 . . . . 29.62 107.549 179.32 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 17' ' ' GLY . . . . . . . . . . . . . . . 56.79 -2.06 0.09 OUTLIER Glycine 0 N--CA 1.404 -3.433 1 N-CA-C 125.249 4.86 . . . . 32.78 125.249 179.485 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 18' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -112.0 132.4 54.81 Favored 'General case' 0 C--N 1.284 -2.256 0 CA-C-N 123.983 3.891 . . . . 28.02 112.876 -179.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 19' ' ' LEU . . . . . 0.436 ' CD2' ' O ' ' E' ' 102' ' ' HOH . 2.6 mm? -88.45 109.3 19.92 Favored 'General case' 0 C--N 1.289 -2.036 0 C-N-CA 130.98 3.712 . . . . 27.49 113.068 179.377 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 20' ' ' LYS . . . . . 0.95 ' HE3' ' O ' ' E' ' 129' ' ' HOH 0.309 0.3 OUTLIER -123.61 173.62 7.96 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.774 2.029 . . . . 28.0 112.067 179.964 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' E' E ' 21' ' ' GLU . . . . . 1.314 ' HG2' ' O ' ' E' ' 124' ' ' HOH . 16.3 mt-10 -120.06 137.6 54.02 Favored 'General case' 0 CA--C 1.584 2.282 0 N-CA-C 102.173 -3.269 . . . . 30.15 102.173 177.189 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -130.84 158.61 39.7 Favored 'General case' 0 C--N 1.284 -2.252 0 C-N-CA 126.469 1.908 . . . . 15.77 106.557 -179.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 23' ' ' LEU . . . . . 0.529 ' C ' ' CD2' ' E' ' 23' ' ' LEU . 0.0 OUTLIER -100.54 124.58 46.29 Favored 'General case' 0 C--N 1.303 -1.45 1 O-C-N 130.132 4.645 . . . . 21.96 111.522 179.91 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' E' E ' 24' ' ' LEU . . . . . 0.431 ' N ' HD23 ' E' ' 23' ' ' LEU . 0.0 OUTLIER -78.93 112.69 16.36 Favored 'General case' 0 N--CA 1.512 2.673 0 O-C-N 127.143 2.777 . . . . 19.28 105.068 179.691 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' E' E ' 25' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -121.56 100.62 7.12 Favored 'General case' 0 CA--C 1.49 -1.364 0 N-CA-C 117.879 2.548 . . . . 23.56 117.879 -177.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 26' ' ' THR . . . . . 0.597 HG21 HD22 ' E' ' 97' ' ' LEU . 60.6 p -62.88 -22.46 66.73 Favored 'General case' 0 C--O 1.261 1.694 0 C-N-CA 126.897 2.079 . . . . 20.72 113.043 177.363 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.84 20.07 49.31 Favored Glycine 0 N--CA 1.491 2.346 0 CA-C-O 124.313 2.063 . . . . 16.94 111.933 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.96 111.61 15.62 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 119.66 -2.082 . . . . 15.42 110.33 -178.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 29' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -66.93 -25.54 66.4 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 127.342 2.257 . . . . 19.07 110.004 -178.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -130.67 154.63 47.72 Favored 'General case' 0 CA--C 1.503 -0.848 1 N-CA-C 122.616 4.302 . . . . 26.92 122.616 -176.712 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 31' ' ' THR . . . . . 0.554 ' CG2' HG22 ' E' ' 75' ' ' VAL . 36.0 m -95.03 114.91 26.77 Favored 'General case' 0 C--O 1.258 1.52 0 C-N-CA 126.414 1.886 . . . . 19.82 107.499 179.468 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 32' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' E' ' 76' ' ' LEU . 7.1 p -132.34 121.5 45.97 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 C-N-CA 127.789 2.436 . . . . 22.48 110.107 179.968 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 33' ' ' LEU . . . . . 0.666 ' O ' ' HA ' ' E' ' 77' ' ' VAL . 0.3 OUTLIER -126.92 146.42 50.31 Favored 'General case' 0 C--O 1.241 0.605 0 CA-C-N 111.839 -2.437 . . . . 25.44 107.939 -177.563 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' E' E ' 34' ' ' GLU . . . . . 1.016 ' O ' HG12 ' E' ' 77' ' ' VAL . 65.9 mt-10 -45.15 -177.63 0.0 OUTLIER 'General case' 0 C--N 1.285 -2.208 0 C-N-CA 131.059 3.743 . . . . 39.46 111.413 179.887 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 35' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -76.29 122.68 24.77 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 114.083 -3.047 . . . . 27.26 108.485 -179.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 36' ' ' ASN . . . . . 0.69 ' CG ' ' O ' ' E' ' 129' ' ' HOH 0.402 19.9 p-10 -130.57 164.72 24.29 Favored 'General case' 0 N--CA 1.503 2.204 0 N-CA-C 102.319 -3.215 . . . . 35.7 102.319 179.372 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 8.7 t -87.23 101.6 13.67 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 102.392 -3.188 . . . . 38.79 102.392 -179.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 38' ' ' LEU . . . . . 0.685 HD12 ' CD ' ' E' ' 39' ' ' PRO . 5.6 tp -122.78 141.07 34.45 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 128.817 3.823 . . . . 31.01 104.6 -179.671 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 39' ' ' PRO . . . . . 0.685 ' CD ' HD12 ' E' ' 38' ' ' LEU 0.257 0.0 OUTLIER -113.96 140.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.319 -0.979 0 C-N-CA 123.161 2.574 . . . . 30.12 109.921 -178.794 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.46 -179.14 19.04 Favored Glycine 0 CA--C 1.545 1.932 0 CA-C-O 113.961 -3.688 . . . . 29.02 106.913 179.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 41' ' ' ARG . . . . . 0.779 ' C ' ' O ' ' E' ' 128' ' ' HOH . 0.0 OUTLIER -92.66 145.52 24.36 Favored 'General case' 0 C--O 1.275 2.407 1 O-C-N 130.769 4.452 . . . . 48.28 102.773 179.364 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' E' E ' 42' ' ' TRP . . . . . 1.222 ' CD2' ' HG2' ' E' ' 57' ' ' ARG . 62.4 p-90 -133.23 171.23 14.3 Favored 'General case' 0 C--N 1.308 -1.211 1 O-C-N 131.791 5.682 . . . . 35.4 109.47 -179.541 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' E' E ' 43' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -133.9 145.92 57.9 Favored Pre-proline 0 C--O 1.243 0.728 0 CA-C-N 110.057 -3.247 . . . . 29.75 114.018 -179.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 44' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -73.59 146.53 39.09 Favored 'Trans proline' 0 C--N 1.319 -0.978 0 O-C-N 127.454 3.344 . . . . 33.09 103.504 178.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 45' ' ' LYS . . . . . 0.523 ' HG2' ' N ' ' E' ' 46' ' ' MET . 28.7 tttt -165.68 159.93 16.87 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 127.329 2.893 . . . . 34.86 107.534 -179.347 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 46' ' ' MET . . . . . 0.523 ' N ' ' HG2' ' E' ' 45' ' ' LYS . 60.9 mtm -125.58 144.12 50.71 Favored 'General case' 0 C--O 1.263 1.782 0 CA-C-O 124.72 2.2 . . . . 32.09 111.559 178.492 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 47' ' ' ILE . . . . . 0.55 HD11 HD11 ' E' ' 54' ' ' ILE . 1.0 OUTLIER -135.92 162.14 37.02 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 N-CA-C 105.717 -1.957 . . . . 23.19 105.717 179.559 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' E' E ' 48' ' ' GLY . . . . . 0.948 ' O ' ' HB1' ' E' ' 201' ' ' PSI . . . -125.95 151.32 17.77 Favored Glycine 0 C--N 1.317 -0.514 0 O-C-N 124.013 0.821 . . . . 26.85 112.981 -179.686 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -138.88 -175.5 14.04 Favored Glycine 0 N--CA 1.498 2.794 0 N-CA-C 104.316 -3.514 . . . . 21.05 104.316 -179.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 50' ' ' ILE . . . . . 0.998 HG12 HG12 ' E' ' 201' ' ' PSI 0.382 1.8 pp -53.5 -46.83 60.01 Favored 'Isoleucine or valine' 0 C--O 1.286 2.999 0 CA-C-N 119.357 1.579 . . . . 26.24 113.938 -179.36 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' E' E ' 51' ' ' GLY . . . . . 0.859 ' N ' HD12 ' E' ' 50' ' ' ILE . . . -82.61 3.98 80.46 Favored Glycine 0 N--CA 1.437 -1.247 0 O-C-N 127.32 2.888 . . . . 26.5 117.67 -179.33 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 52' ' ' GLY . . . . . 0.576 ' C ' ' CD1' ' E' ' 53' ' ' PHE . . . 136.08 -141.19 12.26 Favored Glycine 0 C--O 1.215 -1.064 0 N-CA-C 122.653 3.821 . . . . 25.25 122.653 -179.598 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 53' ' ' PHE . . . . . 0.885 ' CD1' ' N ' ' E' ' 53' ' ' PHE . 0.0 OUTLIER -141.57 125.55 17.2 Favored 'General case' 0 N--CA 1.445 -0.713 1 O-C-N 116.33 -4.041 . . . . 38.64 115.798 -178.743 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' E' E ' 54' ' ' ILE . . . . . 0.55 HD11 HD11 ' E' ' 47' ' ' ILE 0.331 9.8 pt -109.46 145.19 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 N-CA-C 104.731 -2.322 . . . . 21.94 104.731 178.778 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' E' E ' 55' ' ' LYS . . . . . 0.623 ' NZ ' ' O ' ' E' ' 110' ' ' HOH . 20.8 mttt -83.14 139.76 33.0 Favored 'General case' 0 N--CA 1.491 1.61 1 N-CA-C 99.442 -4.281 . . . . 46.1 99.442 178.53 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' E' E ' 56' ' ' VAL . . . . . 0.401 HG12 ' HA3' ' E' ' 78' ' ' GLY . 0.3 OUTLIER -124.1 178.06 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 103.152 -2.907 . . . . 21.1 103.152 -178.623 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' E' E ' 57' ' ' ARG . . . . . 1.222 ' HG2' ' CD2' ' E' ' 42' ' ' TRP . 0.1 OUTLIER -122.66 119.67 31.42 Favored 'General case' 0 C--N 1.285 -2.2 1 O-C-N 129.619 4.325 . . . . 40.77 101.208 -179.724 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' E' E ' 58' ' ' GLN . . . . . 0.674 ' HG3' HD22 ' E' ' 76' ' ' LEU . 3.3 tt0 -99.19 103.64 15.53 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 118.792 2.886 . . . . 22.52 118.792 -177.554 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 59' ' ' TYR . . . . . 0.479 ' HD1' ' O ' ' E' ' 123' ' ' HOH . 28.1 m-85 -98.78 128.72 45.09 Favored 'General case' 0 N--CA 1.42 -1.94 1 C-N-CA 140.041 7.336 . . . . 24.67 107.632 179.377 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' E' E ' 60' ' ' ASP . . . . . 0.56 ' OD1' ' CG2' ' E' ' 74' ' ' THR . 63.6 m-20 -123.21 159.16 29.25 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 126.054 2.096 . . . . 36.17 109.271 -179.22 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 61' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 61.02 40.3 15.35 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 116.546 2.054 . . . . 30.37 116.546 178.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 62' ' ' ILE . . . . . . . . . . . . . 39.9 mm -91.77 139.48 17.74 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 CA-C-O 124.682 2.182 . . . . 26.09 106.967 177.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 63' ' ' LEU . . . . . . . . . . . . . 47.3 tp -88.89 128.81 35.68 Favored 'General case' 0 C--O 1.267 1.993 0 CA-C-N 109.911 -3.313 . . . . 24.35 106.509 177.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 64' ' ' ILE . . . . . 0.522 HG12 HG23 ' E' ' 15' ' ' ILE . 1.2 mt -147.12 131.95 11.03 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 CA-C-O 115.088 -2.387 . . . . 21.89 108.181 -177.75 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 65' ' ' GLU . . . . . 0.648 ' CG ' ' O ' ' E' ' 101' ' ' HOH 0.255 3.5 mt-10 -104.25 112.68 25.8 Favored 'General case' 0 C--N 1.301 -1.53 1 O-C-N 131.023 5.202 . . . . 30.61 107.315 179.216 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' E' E ' 66' ' ' ILE . . . . . 0.569 ' O ' ' N ' ' E' ' 69' ' ' HIS . 0.8 OUTLIER -103.71 127.28 57.92 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 O-C-N 127.345 2.903 . . . . 30.72 105.757 -178.404 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' E' E ' 67' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' E' ' 66' ' ' ILE . 9.7 t 34.2 52.08 0.47 Allowed 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 127.375 3.464 . . . . 39.17 108.409 -179.755 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.68 18.98 68.78 Favored Glycine 0 C--N 1.34 0.755 0 O-C-N 118.107 -2.871 . . . . 32.69 114.592 178.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 69' ' ' HIS . . . . . 0.569 ' N ' ' O ' ' E' ' 66' ' ' ILE . 1.7 m80 -114.58 123.64 49.85 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 128.897 2.879 . . . . 37.85 107.359 178.538 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.85 131.68 34.04 Favored 'General case' 0 C--O 1.275 2.437 0 C-N-CA 123.805 0.842 . . . . 26.99 112.083 -178.935 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 71' ' ' ALA . . . . . . . . . . . . 0.323 . . -142.1 167.17 22.77 Favored 'General case' 0 C--O 1.252 1.231 0 N-CA-C 105.757 -1.942 . . . . 16.61 105.757 179.423 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 72' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -136.98 122.64 26.79 Favored 'Isoleucine or valine' 0 C--O 1.257 1.476 0 C-N-CA 124.219 1.007 . . . . 22.02 111.053 -179.005 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 73' ' ' GLY . . . . . . . . . . . . . . . -160.44 -167.17 20.6 Favored Glycine 0 N--CA 1.499 2.853 0 CA-C-O 126.199 3.11 . . . . 12.61 112.995 178.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 74' ' ' THR . . . . . 0.56 ' CG2' ' OD1' ' E' ' 60' ' ' ASP . 5.6 m -90.19 131.67 35.9 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 110.211 -2.994 . . . . 23.15 103.363 176.66 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 75' ' ' VAL . . . . . 0.554 HG22 ' CG2' ' E' ' 31' ' ' THR . 1.6 t -130.82 140.89 47.59 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.515 0 N-CA-C 103.69 -2.707 . . . . 26.38 103.69 -179.545 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 76' ' ' LEU . . . . . 0.674 HD22 ' HG3' ' E' ' 58' ' ' GLN . 5.8 mt -120.03 132.18 55.38 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-O 113.106 -3.331 . . . . 24.62 106.139 -178.167 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 77' ' ' VAL . . . . . 1.016 HG12 ' O ' ' E' ' 34' ' ' GLU 0.264 0.2 OUTLIER -106.87 135.88 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.256 0 O-C-N 127.319 2.887 . . . . 25.6 109.976 -178.569 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' E' E ' 78' ' ' GLY . . . . . 0.401 ' HA3' HG12 ' E' ' 56' ' ' VAL . . . -167.46 -175.36 37.33 Favored Glycine 0 N--CA 1.493 2.445 0 C-N-CA 117.385 -2.341 . . . . 19.43 110.853 -177.697 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 79' ' ' PRO . . . . . 0.559 ' HA ' ' O ' ' E' ' 113' ' ' HOH . 68.5 Cg_endo -83.35 74.64 4.67 Favored 'Trans proline' 0 CA--C 1.49 -1.72 0 O-C-N 123.69 1.363 . . . . 19.99 111.413 -178.364 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 80' ' ' THR . . . . . . . . . . . . . 9.7 t -103.73 138.97 19.68 Favored Pre-proline 0 C--O 1.263 1.812 0 C-N-CA 129.185 2.994 . . . . 24.49 111.712 -179.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 81' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -62.47 -39.6 44.55 Favored 'Trans proline' 0 C--O 1.26 1.614 0 C-N-CA 122.402 2.068 . . . . 25.25 114.086 179.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 82' ' ' VAL . . . . . . . . . . . . . 17.4 m -139.0 148.27 24.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 C-N-CA 131.342 3.857 . . . . 20.68 114.255 -178.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 83' ' ' ASN . . . . . . . . . . . . 0.365 0.0 OUTLIER -76.63 147.78 37.34 Favored 'General case' 0 N--CA 1.505 2.298 0 N-CA-C 104.181 -2.525 . . . . 23.63 104.181 178.546 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' E' E ' 84' ' ' ILE . . . . . . . . . . . . . 96.3 mt -131.21 140.09 49.36 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 C-N-CA 125.24 1.416 . . . . 24.23 110.538 -176.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 85' ' ' ILE . . . . . 0.865 ' C ' ' O ' ' E' ' 121' ' ' HOH . 31.7 mm -107.96 112.47 40.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 100.286 -3.968 . . . . 23.82 100.286 176.089 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 86' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' E' ' 121' ' ' HOH . . . -97.98 177.14 31.26 Favored Glycine 0 N--CA 1.481 1.683 0 N-CA-C 106.318 -2.713 . . . . 19.07 106.318 -177.486 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 87' ' ' ARG . . . . . 0.986 ' O ' HG23 ' E' ' 91' ' ' THR . 24.5 mtm105 -60.98 -24.95 66.51 Favored 'General case' 0 C--N 1.269 -2.915 0 C-N-CA 131.038 3.735 . . . . 27.98 115.414 -178.853 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 88' ' ' ASN . . . . . . . . . . . . . 34.8 p-10 -69.12 -15.22 63.37 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 117.332 -1.318 . . . . 24.57 108.599 179.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 89' ' ' LEU . . . . . . . . . . . . 0.331 6.9 mt -112.08 -38.22 4.83 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 128.112 3.382 . . . . 25.17 111.452 -178.391 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 90' ' ' LEU . . . . . 0.893 ' HG ' ' O ' ' E' ' 121' ' ' HOH . 70.8 mt -62.16 -21.27 64.93 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 113.028 0.751 . . . . 21.67 113.028 179.497 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 91' ' ' THR . . . . . 0.986 HG23 ' O ' ' E' ' 87' ' ' ARG . 6.7 p -75.4 -33.48 60.97 Favored 'General case' 0 C--O 1.254 1.322 0 CA-C-O 123.017 1.389 . . . . 26.68 107.361 -178.791 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 92' ' ' GLN . . . . . 0.698 ' OE1' ' O ' ' E' ' 111' ' ' HOH 0.336 58.1 mt-30 -69.41 -36.46 76.74 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 112.102 -3.809 . . . . 32.09 117.726 -179.111 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' E' E ' 93' ' ' ILE . . . . . 0.433 HD13 HG21 ' E' ' 66' ' ' ILE . 44.2 pt -93.29 13.07 2.62 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.04 0 O-C-N 126.746 2.529 . . . . 29.9 107.074 178.871 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 94' ' ' GLY . . . . . . . . . . . . . . . 46.49 57.79 6.34 Favored Glycine 0 C--N 1.277 -2.705 1 C-N-CA 134.916 6.007 . . . . 14.85 115.894 -179.273 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 95' ' ' CYS . . . . . . . . . . . . . 6.3 t -79.34 130.53 35.53 Favored 'General case' 0 C--O 1.243 0.74 0 C-N-CA 129.277 3.031 . . . . 21.57 111.73 -179.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 96' ' ' THR . . . . . . . . . . . . . 61.4 p -126.57 159.74 32.65 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 123.467 1.603 . . . . 21.67 107.98 179.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 97' ' ' LEU . . . . . 0.597 HD22 HG21 ' E' ' 26' ' ' THR 0.253 4.8 tp -102.89 150.1 23.85 Favored 'General case' 0 N--CA 1.519 2.977 0 CA-C-N 108.751 -3.841 . . . . 22.25 100.692 -179.953 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' E' E ' 98' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -143.88 145.29 32.2 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 128.825 3.828 . . . . 28.26 109.698 -179.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 99' ' ' PHE . . . . . . . . . . . . 0.335 0.4 OUTLIER . . . . . 0 C--O 1.266 1.96 0 O-C-N 126.928 2.642 . . . . 29.71 111.929 179.72 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 201' ' ' PSI . . . . . 0.998 HG12 HG12 ' E' ' 50' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 101' ' ' HOH . . . . . 0.648 ' O ' ' CG ' ' E' ' 65' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 102' ' ' HOH . . . . . 0.436 ' O ' ' CD2' ' E' ' 19' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 107' ' ' HOH . . . . . 0.612 ' O ' ' CD ' ' E' ' 65' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 110' ' ' HOH . . . . . 0.623 ' O ' ' NZ ' ' E' ' 55' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 111' ' ' HOH . . . . . 0.698 ' O ' ' OE1' ' E' ' 92' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 113' ' ' HOH . . . . . 0.559 ' O ' ' HA ' ' E' ' 79' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 116' ' ' HOH . . . . . 0.465 ' O ' ' HE2' ' E' ' 14' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 117' ' ' HOH . . . . . 0.82 ' O ' ' CZ ' ' E' ' 57' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 118' ' ' HOH . . . . . 0.586 ' O ' HG23 ' E' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 119' ' ' HOH . . . . . 0.758 ' O ' ' NH1' ' E' ' 57' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 121' ' ' HOH . . . . . 0.893 ' O ' ' HG ' ' E' ' 90' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 123' ' ' HOH . . . . . 0.752 ' O ' HG23 ' E' ' 77' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 124' ' ' HOH . . . . . 1.314 ' O ' ' HG2' ' E' ' 21' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 125' ' ' HOH . . . . . 0.72 ' O ' ' CG ' ' E' ' 41' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 128' ' ' HOH . . . . . 0.889 ' O ' ' N ' ' E' ' 42' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 129' ' ' HOH . . . . . 0.95 ' O ' ' HE3' ' E' ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 1' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo . . . . . 0 CA--C 1.535 0.564 0 CA-C-O 123.922 1.551 . . . . 20.55 110.739 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -108.91 130.63 55.44 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 129.542 3.137 . . . . 42.68 107.999 -179.845 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 mt -128.21 115.85 39.95 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.719 0 O-C-N 127.226 2.829 . . . . 25.62 117.839 -178.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 4' ' ' THR . . . . . 0.586 HG23 ' O ' ' E' ' 118' ' ' HOH . 62.4 p -93.26 148.57 21.92 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 103.632 -2.729 . . . . 25.02 103.632 178.453 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 5' ' ' LEU . . . . . 0.436 ' CD2' ' HG3' ' E' ' 9' ' ' PRO . 95.4 mt -92.53 37.87 1.01 Allowed 'General case' 0 C--O 1.259 1.603 0 N-CA-C 119.299 3.074 . . . . 30.84 119.299 -178.144 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 6' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -75.48 -31.82 60.37 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 107.023 -1.473 . . . . 19.62 107.023 178.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -129.04 145.72 51.19 Favored 'General case' 0 C--O 1.269 2.114 0 O-C-N 127.007 2.692 . . . . 34.84 110.911 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 8' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -47.14 139.49 7.24 Favored Pre-proline 0 C--O 1.255 1.361 0 N-CA-C 105.895 -1.891 . . . . 28.65 105.895 179.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 9' ' ' PRO . . . . . 0.436 ' HG3' ' CD2' ' E' ' 5' ' ' LEU . 20.0 Cg_exo -75.22 91.98 1.02 Allowed 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 124.298 3.332 . . . . 20.66 111.838 179.924 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 85.0 mt -105.74 156.08 18.65 Favored 'General case' 0 N--CA 1.498 1.927 0 C-N-CA 112.764 -3.574 . . . . 24.27 111.276 -177.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 11' ' ' VAL . . . . . 0.551 ' O ' ' HA ' ' E' ' 21' ' ' GLU . 0.4 OUTLIER -146.89 156.22 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 O-C-N 127.644 3.09 . . . . 26.91 109.392 179.18 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 10.8 m -88.7 125.73 34.99 Favored 'General case' 0 C--N 1.295 -1.773 1 C-N-CA 135.839 5.655 . . . . 25.33 107.613 178.045 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 13' ' ' ILE . . . . . 0.737 HD12 HD11 ' E' ' 15' ' ' ILE . 10.1 pt -129.76 160.16 41.05 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 O-C-N 126.729 2.518 . . . . 19.76 108.452 -179.114 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 14' ' ' LYS . . . . . 0.465 ' HE2' ' O ' ' E' ' 116' ' ' HOH . 41.7 tttt -134.43 119.11 18.15 Favored 'General case' 0 CA--C 1.554 1.1 0 N-CA-C 102.181 -3.266 . . . . 16.84 102.181 178.558 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 15' ' ' ILE . . . . . 0.737 HD11 HD12 ' E' ' 13' ' ' ILE . 0.1 OUTLIER -137.03 122.26 25.71 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 O-C-N 128.542 3.651 . . . . 27.72 111.234 -178.667 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' E' E ' 16' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' E' ' 15' ' ' ILE . . . 33.57 72.66 0.09 OUTLIER Glycine 0 N--CA 1.483 1.789 0 CA-C-N 110.993 -2.821 . . . . 29.62 107.549 179.32 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 17' ' ' GLY . . . . . . . . . . . . . . . 56.79 -2.06 0.09 OUTLIER Glycine 0 N--CA 1.404 -3.433 1 N-CA-C 125.249 4.86 . . . . 32.78 125.249 179.485 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 18' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -112.0 132.4 54.81 Favored 'General case' 0 C--N 1.284 -2.256 0 CA-C-N 123.983 3.891 . . . . 28.02 112.876 -179.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 19' ' ' LEU . . . . . 0.436 ' CD2' ' O ' ' E' ' 102' ' ' HOH . 2.6 mm? -88.45 109.3 19.92 Favored 'General case' 0 C--N 1.289 -2.036 0 C-N-CA 130.98 3.712 . . . . 27.49 113.068 179.377 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 20' ' ' LYS . . . . . 0.95 ' HE3' ' O ' ' E' ' 129' ' ' HOH 0.309 0.3 OUTLIER -123.61 173.62 7.96 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.774 2.029 . . . . 28.0 112.067 179.964 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' E' E ' 21' ' ' GLU . . . . . 1.314 ' HG2' ' O ' ' E' ' 124' ' ' HOH . 16.3 mt-10 -120.06 137.6 54.02 Favored 'General case' 0 CA--C 1.584 2.282 0 N-CA-C 102.173 -3.269 . . . . 30.15 102.173 177.189 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -130.84 158.61 39.7 Favored 'General case' 0 C--N 1.284 -2.252 0 C-N-CA 126.469 1.908 . . . . 15.77 106.557 -179.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 23' ' ' LEU . . . . . 0.529 ' C ' ' CD2' ' E' ' 23' ' ' LEU . 0.0 OUTLIER -100.54 124.58 46.29 Favored 'General case' 0 C--N 1.303 -1.45 1 O-C-N 130.132 4.645 . . . . 21.96 111.522 179.91 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' E' E ' 24' ' ' LEU . . . . . 0.431 ' N ' HD23 ' E' ' 23' ' ' LEU . 0.0 OUTLIER -78.93 112.69 16.36 Favored 'General case' 0 N--CA 1.512 2.673 0 O-C-N 127.143 2.777 . . . . 19.28 105.068 179.691 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' E' E ' 25' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -121.56 100.62 7.12 Favored 'General case' 0 CA--C 1.49 -1.364 0 N-CA-C 117.879 2.548 . . . . 23.56 117.879 -177.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 26' ' ' THR . . . . . 0.597 HG21 HD22 ' E' ' 97' ' ' LEU . 60.6 p -62.88 -22.46 66.73 Favored 'General case' 0 C--O 1.261 1.694 0 C-N-CA 126.897 2.079 . . . . 20.72 113.043 177.363 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.84 20.07 49.31 Favored Glycine 0 N--CA 1.491 2.346 0 CA-C-O 124.313 2.063 . . . . 16.94 111.933 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -124.96 111.61 15.62 Favored 'General case' 0 C--N 1.309 -1.169 0 O-C-N 119.66 -2.082 . . . . 15.42 110.33 -178.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 29' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -66.93 -25.54 66.4 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 127.342 2.257 . . . . 19.07 110.004 -178.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -130.67 154.63 47.72 Favored 'General case' 0 CA--C 1.503 -0.848 1 N-CA-C 122.616 4.302 . . . . 26.92 122.616 -176.712 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 31' ' ' THR . . . . . 0.554 ' CG2' HG22 ' E' ' 75' ' ' VAL . 36.0 m -95.03 114.91 26.77 Favored 'General case' 0 C--O 1.258 1.52 0 C-N-CA 126.414 1.886 . . . . 19.82 107.499 179.468 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 32' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' E' ' 76' ' ' LEU . 7.1 p -132.34 121.5 45.97 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 C-N-CA 127.789 2.436 . . . . 22.48 110.107 179.968 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 33' ' ' LEU . . . . . 0.666 ' O ' ' HA ' ' E' ' 77' ' ' VAL . 0.3 OUTLIER -126.92 146.42 50.31 Favored 'General case' 0 C--O 1.241 0.605 0 CA-C-N 111.839 -2.437 . . . . 25.44 107.939 -177.563 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' E' E ' 34' ' ' GLU . . . . . 1.016 ' O ' HG12 ' E' ' 77' ' ' VAL . 65.9 mt-10 -45.15 -177.63 0.0 OUTLIER 'General case' 0 C--N 1.285 -2.208 0 C-N-CA 131.059 3.743 . . . . 39.46 111.413 179.887 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 35' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -76.29 122.68 24.77 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 114.083 -3.047 . . . . 27.26 108.485 -179.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 36' ' ' ASN . . . . . 0.69 ' CG ' ' O ' ' E' ' 129' ' ' HOH 0.402 19.9 p-10 -130.57 164.72 24.29 Favored 'General case' 0 N--CA 1.503 2.204 0 N-CA-C 102.319 -3.215 . . . . 35.7 102.319 179.372 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 8.7 t -87.23 101.6 13.67 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 102.392 -3.188 . . . . 38.79 102.392 -179.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 38' ' ' LEU . . . . . 0.685 HD12 ' CD ' ' E' ' 39' ' ' PRO . 5.6 tp -122.78 141.07 34.45 Favored Pre-proline 0 N--CA 1.491 1.622 0 O-C-N 128.817 3.823 . . . . 31.01 104.6 -179.671 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 39' ' ' PRO . . . . . 0.685 ' CD ' HD12 ' E' ' 38' ' ' LEU 0.257 0.0 OUTLIER -113.96 140.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.319 -0.979 0 C-N-CA 123.161 2.574 . . . . 30.12 109.921 -178.794 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.46 -179.14 19.04 Favored Glycine 0 CA--C 1.545 1.932 0 CA-C-O 113.961 -3.688 . . . . 29.02 106.913 179.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 41' ' ' ARG . . . . . 0.779 ' C ' ' O ' ' E' ' 128' ' ' HOH . 0.0 OUTLIER -92.66 145.52 24.36 Favored 'General case' 0 C--O 1.275 2.407 1 O-C-N 130.769 4.452 . . . . 48.28 102.773 179.364 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' E' E ' 42' ' ' TRP . . . . . 1.222 ' CD2' ' HG2' ' E' ' 57' ' ' ARG . 62.4 p-90 -133.23 171.23 14.3 Favored 'General case' 0 C--N 1.308 -1.211 1 O-C-N 131.791 5.682 . . . . 35.4 109.47 -179.541 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' E' E ' 43' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -133.9 145.92 57.9 Favored Pre-proline 0 C--O 1.243 0.728 0 CA-C-N 110.057 -3.247 . . . . 29.75 114.018 -179.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 44' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -73.59 146.53 39.09 Favored 'Trans proline' 0 C--N 1.319 -0.978 0 O-C-N 127.454 3.344 . . . . 33.09 103.504 178.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 45' ' ' LYS . . . . . 0.523 ' HG2' ' N ' ' E' ' 46' ' ' MET . 28.7 tttt -165.68 159.93 16.87 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 127.329 2.893 . . . . 34.86 107.534 -179.347 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 46' ' ' MET . . . . . 0.523 ' N ' ' HG2' ' E' ' 45' ' ' LYS . 60.9 mtm -125.58 144.12 50.71 Favored 'General case' 0 C--O 1.263 1.782 0 CA-C-O 124.72 2.2 . . . . 32.09 111.559 178.492 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 47' ' ' ILE . . . . . 0.55 HD11 HD11 ' E' ' 54' ' ' ILE . 1.0 OUTLIER -135.92 162.14 37.02 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 N-CA-C 105.717 -1.957 . . . . 23.19 105.717 179.559 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' E' E ' 48' ' ' GLY . . . . . 0.948 ' O ' ' HB1' ' E' ' 201' ' ' PSI . . . -125.95 151.32 17.77 Favored Glycine 0 C--N 1.317 -0.514 0 O-C-N 124.013 0.821 . . . . 26.85 112.981 -179.686 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -138.88 -175.5 14.04 Favored Glycine 0 N--CA 1.498 2.794 0 N-CA-C 104.316 -3.514 . . . . 21.05 104.316 -179.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 50' ' ' ILE . . . . . 0.998 HG12 HG12 ' E' ' 201' ' ' PSI 0.382 1.8 pp -53.5 -46.83 60.01 Favored 'Isoleucine or valine' 0 C--O 1.286 2.999 0 CA-C-N 119.357 1.579 . . . . 26.24 113.938 -179.36 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' E' E ' 51' ' ' GLY . . . . . 0.859 ' N ' HD12 ' E' ' 50' ' ' ILE . . . -82.61 3.98 80.46 Favored Glycine 0 N--CA 1.437 -1.247 0 O-C-N 127.32 2.888 . . . . 26.5 117.67 -179.33 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 52' ' ' GLY . . . . . 0.576 ' C ' ' CD1' ' E' ' 53' ' ' PHE . . . 136.08 -141.19 12.26 Favored Glycine 0 C--O 1.215 -1.064 0 N-CA-C 122.653 3.821 . . . . 25.25 122.653 -179.598 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 53' ' ' PHE . . . . . 0.885 ' CD1' ' N ' ' E' ' 53' ' ' PHE . 0.0 OUTLIER -141.57 125.55 17.2 Favored 'General case' 0 N--CA 1.445 -0.713 1 O-C-N 116.33 -4.041 . . . . 38.64 115.798 -178.743 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' E' E ' 54' ' ' ILE . . . . . 0.55 HD11 HD11 ' E' ' 47' ' ' ILE 0.331 9.8 pt -109.46 145.19 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 N-CA-C 104.731 -2.322 . . . . 21.94 104.731 178.778 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' E' E ' 55' ' ' LYS . . . . . 0.623 ' NZ ' ' O ' ' E' ' 110' ' ' HOH . 20.8 mttt -83.14 139.76 33.0 Favored 'General case' 0 N--CA 1.491 1.61 1 N-CA-C 99.442 -4.281 . . . . 46.1 99.442 178.53 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' E' E ' 56' ' ' VAL . . . . . 0.401 HG12 ' HA3' ' E' ' 78' ' ' GLY . 0.3 OUTLIER -124.1 178.06 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 N-CA-C 103.152 -2.907 . . . . 21.1 103.152 -178.623 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' E' E ' 57' ' ' ARG . . . . . 1.222 ' HG2' ' CD2' ' E' ' 42' ' ' TRP . 0.1 OUTLIER -122.66 119.67 31.42 Favored 'General case' 0 C--N 1.285 -2.2 1 O-C-N 129.619 4.325 . . . . 40.77 101.208 -179.724 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' E' E ' 58' ' ' GLN . . . . . 0.674 ' HG3' HD22 ' E' ' 76' ' ' LEU . 2.5 tt0 -99.19 103.64 15.53 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 118.792 2.886 . . . . 22.52 118.792 -177.554 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 59' ' ' TYR . . . . . 0.479 ' HD1' ' O ' ' E' ' 123' ' ' HOH . 28.1 m-85 -98.78 128.72 45.09 Favored 'General case' 0 N--CA 1.42 -1.94 1 C-N-CA 140.041 7.336 . . . . 24.67 107.632 179.377 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' E' E ' 60' ' ' ASP . . . . . 0.56 ' OD1' ' CG2' ' E' ' 74' ' ' THR . 63.6 m-20 -123.21 159.16 29.25 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 126.054 2.096 . . . . 36.17 109.271 -179.22 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 61' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 61.02 40.3 15.35 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 116.546 2.054 . . . . 30.37 116.546 178.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 62' ' ' ILE . . . . . . . . . . . . . 39.9 mm -91.77 139.48 17.74 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 CA-C-O 124.682 2.182 . . . . 26.09 106.967 177.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 63' ' ' LEU . . . . . . . . . . . . . 47.3 tp -88.89 128.81 35.68 Favored 'General case' 0 C--O 1.267 1.993 0 CA-C-N 109.911 -3.313 . . . . 24.35 106.509 177.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 64' ' ' ILE . . . . . 0.522 HG12 HG23 ' E' ' 15' ' ' ILE . 1.2 mt -147.12 131.95 11.03 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 CA-C-O 115.088 -2.387 . . . . 21.89 108.181 -177.75 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 65' ' ' GLU . . . . . 0.648 ' CG ' ' O ' ' E' ' 101' ' ' HOH 0.255 3.5 mt-10 -104.25 112.68 25.8 Favored 'General case' 0 C--N 1.301 -1.53 1 O-C-N 131.023 5.202 . . . . 30.61 107.315 179.216 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' E' E ' 66' ' ' ILE . . . . . 0.569 ' O ' ' N ' ' E' ' 69' ' ' HIS . 0.8 OUTLIER -103.71 127.28 57.92 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 O-C-N 127.345 2.903 . . . . 30.72 105.757 -178.404 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' E' E ' 67' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' E' ' 66' ' ' ILE . 9.7 t 34.2 52.08 0.47 Allowed 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 127.375 3.464 . . . . 39.17 108.409 -179.755 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.68 18.98 68.78 Favored Glycine 0 C--N 1.34 0.755 0 O-C-N 118.107 -2.871 . . . . 32.69 114.592 178.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 69' ' ' HIS . . . . . 0.569 ' N ' ' O ' ' E' ' 66' ' ' ILE . 1.7 m80 -114.58 123.64 49.85 Favored 'General case' 0 C--N 1.297 -1.682 0 C-N-CA 128.897 2.879 . . . . 37.85 107.359 178.538 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.85 131.68 34.04 Favored 'General case' 0 C--O 1.275 2.437 0 C-N-CA 123.805 0.842 . . . . 26.99 112.083 -178.935 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 71' ' ' ALA . . . . . . . . . . . . 0.323 . . -142.1 167.17 22.77 Favored 'General case' 0 C--O 1.252 1.231 0 N-CA-C 105.757 -1.942 . . . . 16.61 105.757 179.423 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 72' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -136.98 122.64 26.79 Favored 'Isoleucine or valine' 0 C--O 1.257 1.476 0 C-N-CA 124.219 1.007 . . . . 22.02 111.053 -179.005 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 73' ' ' GLY . . . . . . . . . . . . . . . -160.44 -167.17 20.6 Favored Glycine 0 N--CA 1.499 2.853 0 CA-C-O 126.199 3.11 . . . . 12.61 112.995 178.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 74' ' ' THR . . . . . 0.56 ' CG2' ' OD1' ' E' ' 60' ' ' ASP . 5.6 m -90.19 131.67 35.9 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 110.211 -2.994 . . . . 23.15 103.363 176.66 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 75' ' ' VAL . . . . . 0.554 HG22 ' CG2' ' E' ' 31' ' ' THR . 1.6 t -130.82 140.89 47.59 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.515 0 N-CA-C 103.69 -2.707 . . . . 26.38 103.69 -179.545 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 76' ' ' LEU . . . . . 0.674 HD22 ' HG3' ' E' ' 58' ' ' GLN . 5.8 mt -120.03 132.18 55.38 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-O 113.106 -3.331 . . . . 24.62 106.139 -178.167 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 77' ' ' VAL . . . . . 1.016 HG12 ' O ' ' E' ' 34' ' ' GLU 0.264 0.2 OUTLIER -106.87 135.88 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.256 0 O-C-N 127.319 2.887 . . . . 25.6 109.976 -178.569 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' E' E ' 78' ' ' GLY . . . . . 0.401 ' HA3' HG12 ' E' ' 56' ' ' VAL . . . -167.46 -175.36 37.33 Favored Glycine 0 N--CA 1.493 2.445 0 C-N-CA 117.385 -2.341 . . . . 19.43 110.853 -177.697 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 79' ' ' PRO . . . . . 0.559 ' HA ' ' O ' ' E' ' 113' ' ' HOH . 68.5 Cg_endo -83.35 74.64 4.67 Favored 'Trans proline' 0 CA--C 1.49 -1.72 0 O-C-N 123.69 1.363 . . . . 19.99 111.413 -178.364 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 80' ' ' THR . . . . . . . . . . . . . 9.7 t -103.73 138.97 19.68 Favored Pre-proline 0 C--O 1.263 1.812 0 C-N-CA 129.185 2.994 . . . . 24.49 111.712 -179.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 81' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -62.47 -39.6 44.55 Favored 'Trans proline' 0 C--O 1.26 1.614 0 C-N-CA 122.402 2.068 . . . . 25.25 114.086 179.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 82' ' ' VAL . . . . . . . . . . . . . 17.4 m -139.0 148.27 24.09 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 C-N-CA 131.342 3.857 . . . . 20.68 114.255 -178.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 83' ' ' ASN . . . . . . . . . . . . 0.365 0.0 OUTLIER -76.63 147.78 37.34 Favored 'General case' 0 N--CA 1.505 2.298 0 N-CA-C 104.181 -2.525 . . . . 23.63 104.181 178.546 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' E' E ' 84' ' ' ILE . . . . . . . . . . . . . 96.3 mt -131.21 140.09 49.36 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.179 0 C-N-CA 125.24 1.416 . . . . 24.23 110.538 -176.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 85' ' ' ILE . . . . . 0.865 ' C ' ' O ' ' E' ' 121' ' ' HOH . 31.7 mm -107.96 112.47 40.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 100.286 -3.968 . . . . 23.82 100.286 176.089 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 86' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' E' ' 121' ' ' HOH . . . -97.98 177.14 31.26 Favored Glycine 0 N--CA 1.481 1.683 0 N-CA-C 106.318 -2.713 . . . . 19.07 106.318 -177.486 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 87' ' ' ARG . . . . . 0.986 ' O ' HG23 ' E' ' 91' ' ' THR . 24.5 mtm105 -60.98 -24.95 66.51 Favored 'General case' 0 C--N 1.269 -2.915 0 C-N-CA 131.038 3.735 . . . . 27.98 115.414 -178.853 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 88' ' ' ASN . . . . . . . . . . . . . 34.8 p-10 -69.12 -15.22 63.37 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 117.332 -1.318 . . . . 24.57 108.599 179.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 89' ' ' LEU . . . . . . . . . . . . 0.331 6.9 mt -112.08 -38.22 4.83 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 128.112 3.382 . . . . 25.17 111.452 -178.391 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 90' ' ' LEU . . . . . 0.893 ' HG ' ' O ' ' E' ' 121' ' ' HOH . 70.8 mt -62.16 -21.27 64.93 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 113.028 0.751 . . . . 21.67 113.028 179.497 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 91' ' ' THR . . . . . 0.986 HG23 ' O ' ' E' ' 87' ' ' ARG . 6.7 p -75.4 -33.48 60.97 Favored 'General case' 0 C--O 1.254 1.322 0 CA-C-O 123.017 1.389 . . . . 26.68 107.361 -178.791 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 92' ' ' GLN . . . . . 0.813 ' NE2' ' O ' ' E' ' 111' ' ' HOH 0.336 33.2 mt-30 -69.41 -36.46 76.74 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 112.102 -3.809 . . . . 32.09 117.726 -179.111 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' E' E ' 93' ' ' ILE . . . . . 0.433 HD13 HG21 ' E' ' 66' ' ' ILE . 44.2 pt -93.29 13.07 2.62 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.04 0 O-C-N 126.746 2.529 . . . . 29.9 107.074 178.871 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 94' ' ' GLY . . . . . . . . . . . . . . . 46.49 57.79 6.34 Favored Glycine 0 C--N 1.277 -2.705 1 C-N-CA 134.916 6.007 . . . . 14.85 115.894 -179.273 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 95' ' ' CYS . . . . . . . . . . . . . 6.3 t -79.34 130.53 35.53 Favored 'General case' 0 C--O 1.243 0.74 0 C-N-CA 129.277 3.031 . . . . 21.57 111.73 -179.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 96' ' ' THR . . . . . . . . . . . . . 61.4 p -126.57 159.74 32.65 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 123.467 1.603 . . . . 21.67 107.98 179.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 97' ' ' LEU . . . . . 0.597 HD22 HG21 ' E' ' 26' ' ' THR 0.253 4.8 tp -102.89 150.1 23.85 Favored 'General case' 0 N--CA 1.519 2.977 0 CA-C-N 108.751 -3.841 . . . . 22.25 100.692 -179.953 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' E' E ' 98' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -143.88 145.29 32.2 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 128.825 3.828 . . . . 28.26 109.698 -179.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 99' ' ' PHE . . . . . . . . . . . . 0.335 0.4 OUTLIER . . . . . 0 C--O 1.266 1.96 0 O-C-N 126.928 2.642 . . . . 29.71 111.929 179.72 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 201' ' ' PSI . . . . . 0.998 HG12 HG12 ' E' ' 50' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 101' ' ' HOH . . . . . 0.648 ' O ' ' CG ' ' E' ' 65' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 102' ' ' HOH . . . . . 0.436 ' O ' ' CD2' ' E' ' 19' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 107' ' ' HOH . . . . . 0.612 ' O ' ' CD ' ' E' ' 65' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 110' ' ' HOH . . . . . 0.623 ' O ' ' NZ ' ' E' ' 55' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 111' ' ' HOH . . . . . 0.813 ' O ' ' NE2' ' E' ' 92' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 113' ' ' HOH . . . . . 0.559 ' O ' ' HA ' ' E' ' 79' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 116' ' ' HOH . . . . . 0.465 ' O ' ' HE2' ' E' ' 14' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 117' ' ' HOH . . . . . 0.82 ' O ' ' CZ ' ' E' ' 57' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 118' ' ' HOH . . . . . 0.586 ' O ' HG23 ' E' ' 4' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 119' ' ' HOH . . . . . 0.758 ' O ' ' NH1' ' E' ' 57' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 121' ' ' HOH . . . . . 0.893 ' O ' ' HG ' ' E' ' 90' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 123' ' ' HOH . . . . . 0.752 ' O ' HG23 ' E' ' 77' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 124' ' ' HOH . . . . . 1.314 ' O ' ' HG2' ' E' ' 21' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 125' ' ' HOH . . . . . 0.72 ' O ' ' CG ' ' E' ' 41' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 128' ' ' HOH . . . . . 0.889 ' O ' ' N ' ' E' ' 42' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 129' ' ' HOH . . . . . 0.95 ' O ' ' HE3' ' E' ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_