data_1d1m_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 1d1m _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 ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.237 0.435 0 CA-C-O 125.382 2.515 . . . . 85.17 113.69 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -55.89 119.32 5.63 Favored 'General case' 0 CA--C 1.489 -1.385 0 N-CA-C 120.6 3.556 . . . . 40.44 120.6 -173.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -115.33 116.74 28.79 Favored 'General case' 0 C--O 1.208 -1.095 0 O-C-N 126.394 2.309 . . . . 30.73 108.771 173.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -108.06 163.0 13.53 Favored 'General case' 0 C--O 1.277 2.537 0 CA-C-O 124.74 2.209 . . . . 29.84 114.611 179.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 11.7 tt -162.53 144.9 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.075 0 CA-C-O 115.499 -2.191 . . . . 21.2 108.673 175.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 71.7 p -62.11 147.99 45.72 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 125.948 2.03 . . . . 21.37 115.706 177.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 20.8 tp -57.08 -37.06 71.32 Favored 'General case' 0 C--O 1.201 -1.46 0 C-N-CA 115.913 -2.315 . . . . 21.24 108.112 178.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.25 -60.94 2.7 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.925 1.083 . . . . 100.0 113.925 -176.878 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -53.89 -46.48 71.39 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.895 1.678 . . . . 35.28 112.898 173.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -59.22 -53.06 62.58 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 120.489 -1.382 . . . . 23.44 107.884 -179.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.67 -32.2 72.37 Favored 'General case' 0 CA--C 1.497 -1.078 0 CA-C-O 123.49 1.615 . . . . 24.89 111.219 -179.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' MET . . . . . . . . . . . . . 26.1 ttm -65.28 -36.3 83.66 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 114.194 -3.002 . . . . 57.34 114.446 -179.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 16.5 tpt85 -76.3 -48.5 19.89 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.928 -1.107 . . . . 26.4 112.398 178.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -92.61 -16.68 25.33 Favored 'General case' 0 C--O 1.212 -0.919 0 N-CA-C 115.607 1.706 . . . . 26.45 115.607 -177.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.16 148.23 17.65 Favored Glycine 0 CA--C 1.545 1.948 0 CA-C-N 122.498 2.408 . . . . 27.71 108.174 -179.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.33 -20.2 66.29 Favored 'General case' 0 CA--C 1.472 -2.031 0 O-C-N 118.741 -2.623 . . . . 81.22 117.399 -177.841 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 61.3 m -69.41 -53.31 20.04 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-O 121.64 0.734 . . . . 42.49 112.445 -177.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -27.2 65.19 Favored 'General case' 0 C--O 1.212 -0.919 0 O-C-N 120.757 -1.214 . . . . 92.43 108.815 179.725 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 46.1 m -64.71 -53.16 51.6 Favored 'General case' 0 CA--C 1.487 -1.452 0 N-CA-C 108.336 -0.987 . . . . 30.98 108.336 -178.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.09 -55.82 7.64 Favored 'General case' 0 N--CA 1.442 -0.872 0 O-C-N 126.029 2.081 . . . . 27.39 111.74 174.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -53.11 -47.42 68.64 Favored 'General case' 0 C--O 1.192 -1.928 0 CA-C-N 114.538 -1.21 . . . . 100.0 112.698 176.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -59.49 -44.06 93.16 Favored 'General case' 0 C--O 1.191 -1.989 0 O-C-N 121.226 -0.921 . . . . 22.55 111.081 -177.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 86.9 mt -90.01 -11.19 42.27 Favored 'General case' 0 N--CA 1.484 1.231 0 O-C-N 120.3 -1.5 . . . . 36.35 111.695 -175.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.38 66.83 1.93 Allowed Glycine 0 C--O 1.184 -2.971 0 N-CA-C 108.967 -1.653 . . . . 38.31 108.967 -178.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . 0.287 1.0 OUTLIER -157.29 175.05 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.05 0 C-N-CA 115.863 -2.335 . . . . 30.96 110.448 -173.73 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -80.79 137.76 36.24 Favored 'General case' 0 N--CA 1.404 -2.769 0 C-N-CA 118.267 -1.373 . . . . 70.67 111.866 -179.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -66.02 -26.3 67.46 Favored 'General case' 0 CA--C 1.478 -1.794 0 CA-C-O 124.029 1.871 . . . . 64.22 106.282 -177.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 37.1 p -61.86 -38.82 89.69 Favored 'General case' 0 C--N 1.279 -2.48 0 C-N-CA 114.038 -3.065 . . . . 52.86 109.366 176.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.6 -44.52 93.36 Favored 'General case' 0 C--O 1.221 -0.396 0 O-C-N 121.138 -0.976 . . . . 34.57 113.031 -178.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 2.9 mm -54.05 -47.18 66.23 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.191 0 CA-C-O 126.411 3.005 . . . . 27.92 107.161 -179.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . 0.301 1.6 t-20 -53.97 -57.88 9.38 Favored 'General case' 0 N--CA 1.401 -2.886 1 CA-C-N 106.935 -4.666 . . . . 100.0 111.091 -175.199 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -64.64 -45.75 85.5 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 113.887 1.069 . . . . 100.0 113.887 -178.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.48 -39.15 72.76 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-O 123.621 1.677 . . . . 26.83 109.134 176.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 46.6 mt -72.64 -47.33 51.09 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.493 0 C-N-CA 114.255 -2.978 . . . . 32.18 110.016 179.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.29 -22.98 63.79 Favored 'General case' 0 N--CA 1.423 -1.8 0 C-N-CA 113.851 -3.139 . . . . 76.16 111.216 179.594 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.07 -3.42 57.95 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 113.976 1.102 . . . . 31.03 113.976 -174.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.68 25.38 75.2 Favored Glycine 0 C--O 1.259 1.714 0 O-C-N 120.341 -1.474 . . . . 32.18 112.534 175.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -64.78 137.48 57.81 Favored 'General case' 0 N--CA 1.507 2.409 0 CA-C-O 117.885 -1.055 . . . . 81.54 111.162 177.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' LYS . . . . . 0.411 ' NZ ' ' O ' ' B' ' 114' ' ' HOH . 18.5 mmtm -81.45 65.15 6.47 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 120.561 1.528 . . . . 28.79 111.633 -174.465 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 66.0 mt -95.37 134.33 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 C-N-CA 124.291 1.036 . . . . 24.17 111.658 -177.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -139.43 158.25 44.47 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 116.554 -2.058 . . . . 29.78 108.669 178.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 10.6 mp -115.3 153.69 30.48 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 116.561 -2.056 . . . . 22.7 106.01 -176.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 81.5 p -117.87 136.56 53.37 Favored 'General case' 0 CA--C 1.479 -1.752 0 O-C-N 126.301 2.251 . . . . 33.89 105.751 173.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 4.5 mm -107.41 125.87 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 O-C-N 126.086 2.116 . . . . 29.59 113.587 -177.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -100.5 154.0 18.9 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 117.393 -1.723 . . . . 42.28 111.72 177.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.91 -25.93 32.52 Favored 'General case' 0 CA--C 1.561 1.395 0 N-CA-C 119.933 3.308 . . . . 46.36 119.933 177.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ASP . . . . . 0.465 ' OD1' ' OG ' ' B' ' 49' ' ' SER . 26.4 p30 -82.77 4.76 23.9 Favored 'General case' 0 CA--C 1.467 -2.242 0 O-C-N 119.074 -2.266 . . . . 52.15 109.746 178.172 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 88.64 10.9 66.8 Favored Glycine 0 N--CA 1.426 -1.986 0 C-N-CA 115.286 -3.34 . . . . 42.55 114.163 -178.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' SER . . . . . 0.465 ' OG ' ' OD1' ' B' ' 47' ' ' ASP . 75.1 p -88.13 137.45 32.32 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 116.324 -2.151 . . . . 34.58 105.924 177.133 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 45.2 t -116.52 130.97 70.45 Favored 'Isoleucine or valine' 0 C--O 1.248 0.979 0 C-N-CA 130.767 3.627 . . . . 25.08 110.1 179.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -136.0 155.28 50.48 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-O 122.309 1.052 . . . . 60.36 109.974 175.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -116.47 143.19 45.89 Favored 'General case' 0 C--N 1.289 -2.063 0 N-CA-C 113.166 0.802 . . . . 20.56 113.166 -178.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -137.97 158.75 43.69 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 106.355 -1.72 . . . . 43.99 106.355 176.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -133.07 136.7 46.06 Favored 'General case' 0 N--CA 1.42 -1.972 0 CA-C-N 113.253 -1.794 . . . . 44.94 114.884 -178.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 83.9 t -90.07 115.14 28.98 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 N-CA-C 108.991 -0.744 . . . . 23.65 108.991 176.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.8 150.78 7.05 Favored 'General case' 0 N--CA 1.414 -2.225 0 O-C-N 120.437 -1.414 . . . . 72.31 109.998 178.816 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 53.24 35.2 19.42 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 113.658 -1.61 . . . . 63.11 113.342 -175.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.87 7.93 88.1 Favored Glycine 0 CA--C 1.544 1.847 0 C-N-CA 125.309 1.433 . . . . 23.22 113.562 173.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' GLU . . . . . 0.411 ' OE1' ' NZ ' ' B' ' 61' ' ' LYS . 0.0 OUTLIER -133.71 170.54 15.41 Favored 'General case' 0 C--O 1.188 -2.17 0 CA-C-N 117.859 0.829 . . . . 100.0 112.412 176.734 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 20.0 t -108.12 105.81 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.217 0 N-CA-C 106.528 -1.656 . . . . 27.24 106.528 176.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' LYS . . . . . 0.411 ' NZ ' ' OE1' ' B' ' 59' ' ' GLU . 0.0 OUTLIER -119.37 169.67 7.86 Favored Pre-proline 0 C--N 1.306 -1.294 0 CA-C-O 122.903 1.335 . . . . 84.08 113.68 -179.282 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -78.86 160.63 27.44 Favored 'Trans proline' 0 CA--C 1.446 -3.893 0 C-N-CA 121.463 1.442 . . . . 38.2 110.159 -176.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' TRP . . . . . . . . . . . . . 71.6 t90 -144.47 125.96 7.94 Favored Pre-proline 0 C--N 1.308 -1.199 0 O-C-N 126.778 2.549 . . . . 34.94 113.11 179.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -96.79 -168.86 1.81 Allowed 'Cis proline' 0 N--CA 1.434 -1.985 0 C-N-CA 119.438 -3.151 . . . . 63.49 112.045 5.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 C--O 1.274 2.365 0 O-C-N 124.682 1.239 . . . . 100.0 112.256 -179.014 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.261 1.706 0 CA-C-O 121.372 0.606 . . . . 65.4 110.197 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -73.61 142.38 46.56 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 118.873 -1.131 . . . . 100.0 107.978 176.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -123.95 133.06 53.79 Favored 'General case' 0 C--O 1.252 1.199 0 C-N-CA 117.522 -1.671 . . . . 26.62 108.282 177.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -116.91 145.2 43.76 Favored 'General case' 0 CA--C 1.463 -2.378 0 CA-C-N 111.522 -2.581 . . . . 28.85 112.406 -179.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 tt -147.27 139.89 19.09 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 CA-C-N 115.174 -0.921 . . . . 23.04 110.042 173.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.8 p -63.45 157.91 22.12 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 117.634 -1.626 . . . . 23.1 112.421 -178.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.4 tp -59.83 -40.24 87.81 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-O 121.826 0.822 . . . . 21.94 110.865 178.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -61.34 -44.93 96.35 Favored 'General case' 0 C--O 1.267 1.985 0 CA-C-O 123.817 1.77 . . . . 100.0 114.35 -178.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -67.4 -39.93 85.58 Favored 'General case' 0 N--CA 1.421 -1.893 0 CA-C-N 111.743 -2.48 . . . . 34.21 110.833 -179.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -63.76 -47.53 80.62 Favored 'General case' 0 C--O 1.206 -1.231 0 C-N-CA 119.942 -0.703 . . . . 22.3 111.483 -179.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 15' ' ' GLY . . . -56.76 -40.99 76.82 Favored 'General case' 0 N--CA 1.419 -2.024 0 CA-C-N 114.34 -1.3 . . . . 23.73 111.188 174.915 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -44.82 87.19 Favored 'General case' 0 N--CA 1.413 -2.279 0 CA-C-N 114.193 -1.367 . . . . 64.77 113.055 179.508 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.0 tpt85 -78.32 -35.34 47.85 Favored 'General case' 0 CA--C 1.505 -0.774 0 C-N-CA 115.743 -2.383 . . . . 47.67 114.934 -179.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -105.89 -11.64 16.14 Favored 'General case' 0 CA--C 1.45 -2.903 0 O-C-N 121.016 -1.052 . . . . 24.73 111.145 -168.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 84.26 158.78 28.52 Favored Glycine 0 CA--C 1.494 -1.27 0 N-CA-C 107.95 -2.06 . . . . 29.35 107.95 -179.514 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -76.25 -12.56 60.11 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 116.91 2.189 . . . . 25.31 116.91 -178.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.3 m -76.09 -54.46 6.8 Favored 'General case' 0 N--CA 1.413 -2.322 0 O-C-N 120.579 -1.326 . . . . 38.9 112.29 178.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.57 -50.6 71.44 Favored 'General case' 0 N--CA 1.434 -1.265 0 O-C-N 125.548 1.78 . . . . 53.03 106.914 175.937 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 84.2 m -50.97 -43.68 60.5 Favored 'General case' 0 C--O 1.21 -0.985 0 C-N-CA 118.677 -1.209 . . . . 23.7 111.777 177.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.56 -36.44 82.68 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 120.779 -1.2 . . . . 25.17 110.016 -177.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -48.34 69.26 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 114.08 -1.418 . . . . 100.0 111.594 178.845 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -58.22 -44.85 88.39 Favored 'General case' 0 C--O 1.201 -1.472 0 CA-C-O 122.951 1.357 . . . . 29.42 112.238 -179.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.6 mt -88.88 -14.22 37.34 Favored 'General case' 0 CA--C 1.458 -2.589 0 O-C-N 119.463 -2.023 . . . . 27.33 113.851 -177.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.94 40.93 62.59 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 117.919 1.928 . . . . 39.02 117.919 178.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.0 m -129.06 -174.39 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 C-N-CA 127.181 2.193 . . . . 37.47 108.767 175.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -91.72 149.1 21.78 Favored 'General case' 0 CA--C 1.492 -1.276 0 CA-C-O 116.022 -1.942 . . . . 81.43 112.306 -179.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . 0.266 0.9 OUTLIER -57.45 -32.18 66.67 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 120.09 1.314 . . . . 49.27 113.785 177.376 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.3 p -60.28 -43.84 95.88 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.009 -1.108 . . . . 36.62 108.009 -179.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.13 -40.07 80.34 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 123.999 1.857 . . . . 31.44 113.481 176.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -76.16 -34.8 26.96 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 O-C-N 118.998 -2.314 . . . . 28.44 113.039 179.839 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -69.13 -36.77 77.83 Favored 'General case' 0 CA--C 1.501 -0.932 0 C-N-CA 115.137 -2.625 . . . . 54.76 106.454 -177.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LYS . . . . . 0.656 ' NZ ' ' O ' ' A' ' 126' ' ' HOH . 0.0 OUTLIER -56.5 -52.12 65.92 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-N 114.274 -1.33 . . . . 98.88 114.518 178.745 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.84 -32.2 72.55 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 126.076 1.75 . . . . 29.36 110.227 179.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.6 mt -74.47 -42.75 49.41 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.786 0 CA-C-O 123.222 1.487 . . . . 25.69 108.322 175.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -65.36 -37.72 87.9 Favored 'General case' 0 N--CA 1.422 -1.852 0 C-N-CA 113.841 -3.144 . . . . 55.0 111.167 178.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.57 -12.55 61.73 Favored 'General case' 0 CA--C 1.459 -2.524 0 C-N-CA 116.688 -2.005 . . . . 24.74 114.103 -177.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.01 22.13 66.53 Favored Glycine 0 CA--C 1.56 2.882 0 C-N-CA 117.104 -2.474 . . . . 28.84 112.12 -176.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -66.17 144.81 56.42 Favored 'General case' 0 CA--C 1.492 -1.251 0 O-C-N 119.836 -1.979 . . . . 61.7 112.643 179.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.54 68.78 8.01 Favored 'General case' 0 C--O 1.173 -2.971 0 CA-C-N 113.317 -1.765 . . . . 34.31 111.669 -176.079 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 39.7 mt -103.9 131.97 51.4 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 C-N-CA 125.747 1.619 . . . . 21.53 112.803 -176.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -136.71 146.81 46.31 Favored 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 105.213 -2.143 . . . . 28.44 105.213 -179.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . 0.401 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -106.62 149.37 27.27 Favored 'General case' 0 CA--C 1.485 -1.538 0 CA-C-N 113.955 -1.475 . . . . 23.13 107.781 -179.608 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.8 p -119.12 143.35 47.23 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 103.319 -2.845 . . . . 42.16 103.319 173.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 mt -113.39 134.68 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.623 0 O-C-N 125.146 1.529 . . . . 30.57 112.203 -171.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -105.97 154.69 20.24 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 124.911 1.382 . . . . 94.96 111.99 -178.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.68 -28.25 68.94 Favored 'General case' 0 C--O 1.266 1.927 0 C-N-CA 118.164 -1.415 . . . . 46.94 113.867 -174.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -67.88 -10.11 50.39 Favored 'General case' 0 C--N 1.369 1.423 0 CA-C-O 122.759 1.266 . . . . 75.81 109.783 176.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.23 9.36 62.04 Favored Glycine 0 N--CA 1.416 -2.65 0 C-N-CA 117.205 -2.426 . . . . 37.61 111.766 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.3 m -85.38 139.01 31.89 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 107.476 -1.305 . . . . 88.64 107.476 179.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.1 t -123.2 137.05 57.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 115.193 1.553 . . . . 35.91 115.193 -175.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -140.32 159.12 42.89 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 113.985 -3.086 . . . . 70.99 113.669 168.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.91 151.07 32.77 Favored 'General case' 0 CA--C 1.493 -1.235 0 O-C-N 120.345 -1.472 . . . . 21.23 114.338 -178.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -137.33 166.83 22.86 Favored 'General case' 0 CA--C 1.485 -1.52 0 CA-C-N 113.61 -1.632 . . . . 36.64 107.533 174.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . 0.584 ' N ' ' O ' ' A' ' 61' ' ' LYS . 80.7 tt0 -136.71 138.31 40.88 Favored 'General case' 0 C--O 1.185 -2.311 0 CA-C-N 112.361 -2.199 . . . . 30.39 113.689 -179.82 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.8 t -89.22 112.67 24.58 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.071 0 N-CA-C 108.123 -1.065 . . . . 25.58 108.123 172.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.22 137.79 15.99 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.387 -0.824 . . . . 89.79 110.945 -175.919 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 52.35 44.42 29.86 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.704 1.877 . . . . 45.73 115.723 179.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.69 6.3 81.1 Favored Glycine 0 CA--C 1.54 1.647 0 CA-C-N 114.786 -1.097 . . . . 22.14 113.741 179.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -138.99 173.27 11.74 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 115.05 -2.66 . . . . 100.0 113.566 175.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.5 t -106.08 113.86 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 N-CA-C 106.832 -1.544 . . . . 23.6 106.832 -178.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LYS . . . . . 0.584 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -128.78 169.0 13.95 Favored Pre-proline 0 C--N 1.287 -2.116 0 C-N-CA 117.895 -1.522 . . . . 77.68 113.169 179.849 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -68.95 151.28 73.65 Favored 'Trans proline' 0 CA--C 1.495 -1.431 0 C-N-CA 123.761 2.974 . . . . 45.32 114.664 178.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 60.2 t90 -137.2 125.58 14.72 Favored Pre-proline 0 CA--C 1.459 -2.551 0 CA-C-N 112.209 -2.269 . . . . 29.12 106.554 179.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 65' ' ' SER . 1.9 Cg_endo -88.19 -178.21 13.81 Favored 'Cis proline' 0 N--CA 1.424 -2.602 0 C-N-CA 120.087 -2.88 . . . . 46.09 113.243 5.339 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 64' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.261 1.685 0 O-C-N 128.585 3.678 . . . . 100.0 111.202 178.072 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . 0.411 ' O ' ' NZ ' ' B' ' 39' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . 0.656 ' O ' ' NZ ' ' A' ' 32' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.237 0.435 0 CA-C-O 125.382 2.515 . . . . 85.170000000000002 113.69 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' GLU . . . . . 0.416 ' OE1' HG21 ' B' ' 43' ' ' THR . 2.4 mt-10 -55.89 119.32 5.63 Favored 'General case' 0 CA--C 1.489 -1.385 0 N-CA-C 120.6 3.556 . . . . 40.439999999999998 120.6 -173.31 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -115.33 116.74 28.79 Favored 'General case' 0 C--O 1.208 -1.095 0 O-C-N 126.394 2.309 . . . . 30.73 108.771 173.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -108.06 163.0 13.53 Favored 'General case' 0 C--O 1.277 2.537 0 CA-C-O 124.74 2.209 . . . . 29.84 114.611 179.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 11.7 tt -162.53 144.9 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.075 0 CA-C-O 115.499 -2.191 . . . . 21.199999999999999 108.673 175.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 71.7 p -62.11 147.99 45.72 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 125.948 2.03 . . . . 21.370000000000001 115.706 177.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 20.8 tp -57.08 -37.06 71.32 Favored 'General case' 0 C--O 1.201 -1.46 0 C-N-CA 115.913 -2.315 . . . . 21.239999999999998 108.112 178.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.25 -60.94 2.7 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.925 1.083 . . . . 100.0 113.925 -176.878 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -53.89 -46.48 71.39 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.895 1.678 . . . . 35.280000000000001 112.898 173.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -59.22 -53.06 62.58 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 120.489 -1.382 . . . . 23.440000000000001 107.884 -179.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.67 -32.2 72.37 Favored 'General case' 0 CA--C 1.497 -1.078 0 CA-C-O 123.49 1.615 . . . . 24.890000000000001 111.219 -179.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' MET . . . . . 0.713 ' HG2' ' O ' ' B' ' 12' ' ' MET . 26.1 ttm -65.28 -36.3 83.66 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 114.194 -3.002 . . . . 57.340000000000003 114.446 -179.144 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 16.5 tpt85 -76.3 -48.5 19.89 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.928 -1.107 . . . . 26.399999999999999 112.398 178.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -92.61 -16.68 25.33 Favored 'General case' 0 C--O 1.212 -0.919 0 N-CA-C 115.607 1.706 . . . . 26.449999999999999 115.607 -177.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.16 148.23 17.65 Favored Glycine 0 CA--C 1.545 1.948 0 CA-C-N 122.498 2.408 . . . . 27.710000000000001 108.174 -179.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -20.2 66.29 Favored 'General case' 0 CA--C 1.472 -2.031 0 O-C-N 118.741 -2.623 . . . . 81.219999999999999 117.399 -177.841 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 61.3 m -69.41 -53.31 20.04 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-O 121.64 0.734 . . . . 42.490000000000002 112.445 -177.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -27.2 65.19 Favored 'General case' 0 C--O 1.212 -0.919 0 O-C-N 120.757 -1.214 . . . . 92.430000000000007 108.815 179.725 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 46.1 m -64.71 -53.16 51.6 Favored 'General case' 0 CA--C 1.487 -1.452 0 N-CA-C 108.336 -0.987 . . . . 30.98 108.336 -178.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.09 -55.82 7.64 Favored 'General case' 0 N--CA 1.442 -0.872 0 O-C-N 126.029 2.081 . . . . 27.390000000000001 111.74 174.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -53.11 -47.42 68.64 Favored 'General case' 0 C--O 1.192 -1.928 0 CA-C-N 114.538 -1.21 . . . . 100.0 112.698 176.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -59.49 -44.06 93.16 Favored 'General case' 0 C--O 1.191 -1.989 0 O-C-N 121.226 -0.921 . . . . 22.550000000000001 111.081 -177.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 86.9 mt -90.01 -11.19 42.27 Favored 'General case' 0 N--CA 1.484 1.231 0 O-C-N 120.3 -1.5 . . . . 36.350000000000001 111.695 -175.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLY . . . . . 0.546 ' O ' HG23 ' B' ' 25' ' ' VAL . . . 73.38 66.83 1.93 Allowed Glycine 0 C--O 1.184 -2.971 0 N-CA-C 108.967 -1.653 . . . . 38.310000000000002 108.967 -178.477 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 24' ' ' GLY 0.287 1.0 OUTLIER -157.29 175.05 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.05 0 C-N-CA 115.863 -2.335 . . . . 30.960000000000001 110.448 -173.73 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 26' ' ' TYR . . . . . 0.411 ' O ' ' HB3' ' B' ' 29' ' ' ALA . 56.5 m-85 -80.79 137.76 36.24 Favored 'General case' 0 N--CA 1.404 -2.769 0 C-N-CA 118.267 -1.373 . . . . 70.670000000000002 111.866 -179.417 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -66.02 -26.3 67.46 Favored 'General case' 0 CA--C 1.478 -1.794 0 CA-C-O 124.029 1.871 . . . . 64.219999999999999 106.282 -177.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' SER . . . . . 0.741 ' O ' ' HB3' ' B' ' 31' ' ' ASN . 37.1 p -61.86 -38.82 89.69 Favored 'General case' 0 C--N 1.279 -2.48 0 C-N-CA 114.038 -3.065 . . . . 52.859999999999999 109.366 176.506 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' B' ' 26' ' ' TYR . . . -59.6 -44.52 93.36 Favored 'General case' 0 C--O 1.221 -0.396 0 O-C-N 121.138 -0.976 . . . . 34.57 113.031 -178.306 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 2.9 mm -54.05 -47.18 66.23 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.191 0 CA-C-O 126.411 3.005 . . . . 27.920000000000002 107.161 -179.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ASN . . . . . 0.741 ' HB3' ' O ' ' B' ' 28' ' ' SER 0.301 48.5 t30 -53.97 -57.88 9.38 Favored 'General case' 0 N--CA 1.401 -2.886 1 CA-C-N 106.935 -4.666 . . . . 100.0 111.091 -175.199 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 32' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' B' ' 28' ' ' SER . 2.8 mmtt -64.64 -45.75 85.5 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 113.887 1.069 . . . . 100.0 113.887 -178.645 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.48 -39.15 72.76 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-O 123.621 1.677 . . . . 26.829999999999998 109.134 176.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 46.6 mt -72.64 -47.33 51.09 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.493 0 C-N-CA 114.255 -2.978 . . . . 32.18 110.016 179.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.29 -22.98 63.79 Favored 'General case' 0 N--CA 1.423 -1.8 0 C-N-CA 113.851 -3.139 . . . . 76.159999999999997 111.216 179.594 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.07 -3.42 57.95 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 113.976 1.102 . . . . 31.030000000000001 113.976 -174.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.68 25.38 75.2 Favored Glycine 0 C--O 1.259 1.714 0 O-C-N 120.341 -1.474 . . . . 32.18 112.534 175.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -64.78 137.48 57.81 Favored 'General case' 0 N--CA 1.507 2.409 0 CA-C-O 117.885 -1.055 . . . . 81.540000000000006 111.162 177.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -81.45 65.15 6.47 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 120.561 1.528 . . . . 28.789999999999999 111.633 -174.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 66.0 mt -95.37 134.33 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 C-N-CA 124.291 1.036 . . . . 24.170000000000002 111.658 -177.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -139.43 158.25 44.47 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 116.554 -2.058 . . . . 29.780000000000001 108.669 178.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' LEU . . . . . 0.479 HD23 ' CG1' ' B' ' 50' ' ' VAL . 10.6 mp -115.3 153.69 30.48 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 116.561 -2.056 . . . . 22.699999999999999 106.01 -176.162 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 43' ' ' THR . . . . . 0.46 ' C ' HD13 ' B' ' 44' ' ' ILE . 81.5 p -117.87 136.56 53.37 Favored 'General case' 0 CA--C 1.479 -1.752 0 O-C-N 126.301 2.251 . . . . 33.890000000000001 105.751 173.431 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ILE . . . . . 0.46 HD13 ' C ' ' B' ' 43' ' ' THR . 4.5 mm -107.41 125.87 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 O-C-N 126.086 2.116 . . . . 29.59 113.587 -177.734 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -100.5 154.0 18.9 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 117.393 -1.723 . . . . 42.280000000000001 111.72 177.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.91 -25.93 32.52 Favored 'General case' 0 CA--C 1.561 1.395 0 N-CA-C 119.933 3.308 . . . . 46.359999999999999 119.933 177.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 26.4 p30 -82.77 4.76 23.9 Favored 'General case' 0 CA--C 1.467 -2.242 0 O-C-N 119.074 -2.266 . . . . 52.149999999999999 109.746 178.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 88.64 10.9 66.8 Favored Glycine 0 N--CA 1.426 -1.986 0 C-N-CA 115.286 -3.34 . . . . 42.549999999999997 114.163 -178.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 75.1 p -88.13 137.45 32.32 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 116.324 -2.151 . . . . 34.579999999999998 105.924 177.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' VAL . . . . . 0.479 ' CG1' HD23 ' B' ' 42' ' ' LEU . 45.2 t -116.52 130.97 70.45 Favored 'Isoleucine or valine' 0 C--O 1.248 0.979 0 C-N-CA 130.767 3.627 . . . . 25.079999999999998 110.1 179.654 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -136.0 155.28 50.48 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-O 122.309 1.052 . . . . 60.359999999999999 109.974 175.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -116.47 143.19 45.89 Favored 'General case' 0 C--N 1.289 -2.063 0 N-CA-C 113.166 0.802 . . . . 20.559999999999999 113.166 -178.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -137.97 158.75 43.69 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 106.355 -1.72 . . . . 43.990000000000002 106.355 176.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -133.07 136.7 46.06 Favored 'General case' 0 N--CA 1.42 -1.972 0 CA-C-N 113.253 -1.794 . . . . 44.939999999999998 114.884 -178.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 83.9 t -90.07 115.14 28.98 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 N-CA-C 108.991 -0.744 . . . . 23.649999999999999 108.991 176.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' LYS . . . . . 0.455 ' HE3' ' HB2' ' B' ' 56' ' ' LYS . 0.0 OUTLIER -166.8 150.78 7.05 Favored 'General case' 0 N--CA 1.414 -2.225 0 O-C-N 120.437 -1.414 . . . . 72.310000000000002 109.998 178.816 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 53.24 35.2 19.42 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 113.658 -1.61 . . . . 63.109999999999999 113.342 -175.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.87 7.93 88.1 Favored Glycine 0 CA--C 1.544 1.847 0 C-N-CA 125.309 1.433 . . . . 23.219999999999999 113.562 173.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.71 170.54 15.41 Favored 'General case' 0 C--O 1.188 -2.17 0 CA-C-N 117.859 0.829 . . . . 100.0 112.412 176.734 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 20.0 t -108.12 105.81 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.217 0 N-CA-C 106.528 -1.656 . . . . 27.239999999999998 106.528 176.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.37 169.67 7.86 Favored Pre-proline 0 C--N 1.306 -1.294 0 CA-C-O 122.903 1.335 . . . . 84.079999999999998 113.68 -179.282 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -78.86 160.63 27.44 Favored 'Trans proline' 0 CA--C 1.446 -3.893 0 C-N-CA 121.463 1.442 . . . . 38.200000000000003 110.159 -176.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' TRP . . . . . 0.456 ' HA ' ' HA ' ' B' ' 64' ' ' PRO . 71.6 t90 -144.47 125.96 7.94 Favored Pre-proline 0 C--N 1.308 -1.199 0 O-C-N 126.778 2.549 . . . . 34.939999999999998 113.11 179.774 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 64' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' B' ' 63' ' ' TRP . 35.7 Cg_endo -96.79 -168.86 1.81 Allowed 'Cis proline' 0 N--CA 1.434 -1.985 0 C-N-CA 119.438 -3.151 . . . . 63.490000000000002 112.045 5.52 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 C--O 1.274 2.365 0 O-C-N 124.682 1.239 . . . . 100.0 112.256 -179.014 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . 0.471 ' HG3' ' N ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.261 1.706 0 CA-C-O 121.372 0.606 . . . . 65.400000000000006 110.197 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 1' ' ' MET . 10.2 mm-40 -73.61 142.38 46.56 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 118.873 -1.131 . . . . 100.0 107.978 176.883 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -123.95 133.06 53.79 Favored 'General case' 0 C--O 1.252 1.199 0 C-N-CA 117.522 -1.671 . . . . 26.620000000000001 108.282 177.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -116.91 145.2 43.76 Favored 'General case' 0 CA--C 1.463 -2.378 0 CA-C-N 111.522 -2.581 . . . . 28.850000000000001 112.406 -179.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 tt -147.27 139.89 19.09 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 CA-C-N 115.174 -0.921 . . . . 23.039999999999999 110.042 173.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.8 p -63.45 157.91 22.12 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 117.634 -1.626 . . . . 23.100000000000001 112.421 -178.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.4 tp -59.83 -40.24 87.81 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-O 121.826 0.822 . . . . 21.940000000000001 110.865 178.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -61.34 -44.93 96.35 Favored 'General case' 0 C--O 1.267 1.985 0 CA-C-O 123.817 1.77 . . . . 100.0 114.35 -178.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -67.4 -39.93 85.58 Favored 'General case' 0 N--CA 1.421 -1.893 0 CA-C-N 111.743 -2.48 . . . . 34.210000000000001 110.833 -179.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -63.76 -47.53 80.62 Favored 'General case' 0 C--O 1.206 -1.231 0 C-N-CA 119.942 -0.703 . . . . 22.300000000000001 111.483 -179.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.76 -40.99 76.82 Favored 'General case' 0 N--CA 1.419 -2.024 0 CA-C-N 114.34 -1.3 . . . . 23.73 111.188 174.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' MET . . . . . 0.59 ' HG3' ' HE1' ' B' ' 12' ' ' MET . 0.0 OUTLIER -57.94 -44.82 87.19 Favored 'General case' 0 N--CA 1.413 -2.279 0 CA-C-N 114.193 -1.367 . . . . 64.769999999999996 113.055 179.508 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . 0.476 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 22.0 tpt85 -78.32 -35.34 47.85 Favored 'General case' 0 CA--C 1.505 -0.774 0 C-N-CA 115.743 -2.383 . . . . 47.670000000000002 114.934 -179.148 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -105.89 -11.64 16.14 Favored 'General case' 0 CA--C 1.45 -2.903 0 O-C-N 121.016 -1.052 . . . . 24.73 111.145 -168.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.26 158.78 28.52 Favored Glycine 0 CA--C 1.494 -1.27 0 N-CA-C 107.95 -2.06 . . . . 29.350000000000001 107.95 -179.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -76.25 -12.56 60.11 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 116.91 2.189 . . . . 25.309999999999999 116.91 -178.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . 0.565 HG23 ' HZ1' ' A' ' 21' ' ' LYS . 23.3 m -76.09 -54.46 6.8 Favored 'General case' 0 N--CA 1.413 -2.322 0 O-C-N 120.579 -1.326 . . . . 38.899999999999999 112.29 178.337 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.57 -50.6 71.44 Favored 'General case' 0 N--CA 1.434 -1.265 0 O-C-N 125.548 1.78 . . . . 53.030000000000001 106.914 175.937 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 84.2 m -50.97 -43.68 60.5 Favored 'General case' 0 C--O 1.21 -0.985 0 C-N-CA 118.677 -1.209 . . . . 23.699999999999999 111.777 177.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.56 -36.44 82.68 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 120.779 -1.2 . . . . 25.170000000000002 110.016 -177.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . 0.565 ' HZ1' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -66.81 -48.34 69.26 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 114.08 -1.418 . . . . 100.0 111.594 178.845 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -58.22 -44.85 88.39 Favored 'General case' 0 C--O 1.201 -1.472 0 CA-C-O 122.951 1.357 . . . . 29.420000000000002 112.238 -179.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.6 mt -88.88 -14.22 37.34 Favored 'General case' 0 CA--C 1.458 -2.589 0 O-C-N 119.463 -2.023 . . . . 27.329999999999998 113.851 -177.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.94 40.93 62.59 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 117.919 1.928 . . . . 39.020000000000003 117.919 178.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.0 m -129.06 -174.39 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 C-N-CA 127.181 2.193 . . . . 37.469999999999999 108.767 175.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -91.72 149.1 21.78 Favored 'General case' 0 CA--C 1.492 -1.276 0 CA-C-O 116.022 -1.942 . . . . 81.430000000000007 112.306 -179.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . 0.266 2.0 mt-30 -57.45 -32.18 66.67 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 120.09 1.314 . . . . 49.270000000000003 113.785 177.376 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.3 p -60.28 -43.84 95.88 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.009 -1.108 . . . . 36.619999999999997 108.009 -179.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.13 -40.07 80.34 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 123.999 1.857 . . . . 31.440000000000001 113.481 176.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -76.16 -34.8 26.96 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 O-C-N 118.998 -2.314 . . . . 28.440000000000001 113.039 179.839 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -69.13 -36.77 77.83 Favored 'General case' 0 CA--C 1.501 -0.932 0 C-N-CA 115.137 -2.625 . . . . 54.759999999999998 106.454 -177.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -52.12 65.92 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-N 114.274 -1.33 . . . . 98.879999999999995 114.518 178.745 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 126' ' ' HOH . . . -67.84 -32.2 72.55 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 126.076 1.75 . . . . 29.359999999999999 110.227 179.753 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.6 mt -74.47 -42.75 49.41 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.786 0 CA-C-O 123.222 1.487 . . . . 25.690000000000001 108.322 175.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HIS . . . . . 0.642 ' HB3' ' O ' ' A' ' 119' ' ' HOH . 46.6 m80 -65.36 -37.72 87.9 Favored 'General case' 0 N--CA 1.422 -1.852 0 C-N-CA 113.841 -3.144 . . . . 55.0 111.167 178.389 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.57 -12.55 61.73 Favored 'General case' 0 CA--C 1.459 -2.524 0 C-N-CA 116.688 -2.005 . . . . 24.739999999999998 114.103 -177.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.01 22.13 66.53 Favored Glycine 0 CA--C 1.56 2.882 0 C-N-CA 117.104 -2.474 . . . . 28.84 112.12 -176.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -66.17 144.81 56.42 Favored 'General case' 0 CA--C 1.492 -1.251 0 O-C-N 119.836 -1.979 . . . . 61.700000000000003 112.643 179.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.54 68.78 8.01 Favored 'General case' 0 C--O 1.173 -2.971 0 CA-C-N 113.317 -1.765 . . . . 34.310000000000002 111.669 -176.079 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 39.7 mt -103.9 131.97 51.4 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 C-N-CA 125.747 1.619 . . . . 21.530000000000001 112.803 -176.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' PHE . . . . . 0.444 ' CZ ' ' HB2' ' A' ' 53' ' ' GLU . 40.0 p90 -136.71 146.81 46.31 Favored 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 105.213 -2.143 . . . . 28.440000000000001 105.213 -179.535 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . 0.491 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -106.62 149.37 27.27 Favored 'General case' 0 CA--C 1.485 -1.538 0 CA-C-N 113.955 -1.475 . . . . 23.129999999999999 107.781 -179.608 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 43' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 110' ' ' HOH . 17.8 p -119.12 143.35 47.23 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 103.319 -2.845 . . . . 42.159999999999997 103.319 173.71 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 mt -113.39 134.68 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.623 0 O-C-N 125.146 1.529 . . . . 30.57 112.203 -171.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -105.97 154.69 20.24 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 124.911 1.382 . . . . 94.959999999999994 111.99 -178.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.68 -28.25 68.94 Favored 'General case' 0 C--O 1.266 1.927 0 C-N-CA 118.164 -1.415 . . . . 46.939999999999998 113.867 -174.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -67.88 -10.11 50.39 Favored 'General case' 0 C--N 1.369 1.423 0 CA-C-O 122.759 1.266 . . . . 75.810000000000002 109.783 176.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.23 9.36 62.04 Favored Glycine 0 N--CA 1.416 -2.65 0 C-N-CA 117.205 -2.426 . . . . 37.609999999999999 111.766 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.3 m -85.38 139.01 31.89 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 107.476 -1.305 . . . . 88.640000000000001 107.476 179.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.1 t -123.2 137.05 57.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 115.193 1.553 . . . . 35.909999999999997 115.193 -175.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' TYR . . . . . 0.491 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 17.1 p90 -140.32 159.12 42.89 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 113.985 -3.086 . . . . 70.989999999999995 113.669 168.51 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.91 151.07 32.77 Favored 'General case' 0 CA--C 1.493 -1.235 0 O-C-N 120.345 -1.472 . . . . 21.23 114.338 -178.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . 42.6 mt-10 -137.33 166.83 22.86 Favored 'General case' 0 CA--C 1.485 -1.52 0 CA-C-N 113.61 -1.632 . . . . 36.640000000000001 107.533 174.663 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 61' ' ' LYS . 80.7 tt0 -136.71 138.31 40.88 Favored 'General case' 0 C--O 1.185 -2.311 0 CA-C-N 112.361 -2.199 . . . . 30.390000000000001 113.689 -179.82 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.8 t -89.22 112.67 24.58 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.071 0 N-CA-C 108.123 -1.065 . . . . 25.579999999999998 108.123 172.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.22 137.79 15.99 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.387 -0.824 . . . . 89.790000000000006 110.945 -175.919 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 52.35 44.42 29.86 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.704 1.877 . . . . 45.729999999999997 115.723 179.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.69 6.3 81.1 Favored Glycine 0 CA--C 1.54 1.647 0 CA-C-N 114.786 -1.097 . . . . 22.140000000000001 113.741 179.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -138.99 173.27 11.74 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 115.05 -2.66 . . . . 100.0 113.566 175.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.5 t -106.08 113.86 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 N-CA-C 106.832 -1.544 . . . . 23.600000000000001 106.832 -178.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -128.78 169.0 13.95 Favored Pre-proline 0 C--N 1.287 -2.116 0 C-N-CA 117.895 -1.522 . . . . 77.680000000000007 113.169 179.849 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -68.95 151.28 73.65 Favored 'Trans proline' 0 CA--C 1.495 -1.431 0 C-N-CA 123.761 2.974 . . . . 45.32 114.664 178.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' TRP . . . . . 0.467 ' CD1' ' HA ' ' A' ' 64' ' ' PRO . 60.2 t90 -137.2 125.58 14.72 Favored Pre-proline 0 CA--C 1.459 -2.551 0 CA-C-N 112.209 -2.269 . . . . 29.120000000000001 106.554 179.88 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PRO . . . . . 0.467 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 1.9 Cg_endo -88.19 -178.21 13.81 Favored 'Cis proline' 0 N--CA 1.424 -2.602 0 C-N-CA 120.087 -2.88 . . . . 46.090000000000003 113.243 5.339 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 64' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.261 1.685 0 O-C-N 128.585 3.678 . . . . 100.0 111.202 178.072 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . 0.558 ' O ' HG23 ' A' ' 43' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . 0.642 ' O ' ' HB3' ' A' ' 35' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . 0.494 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.237 0.435 0 CA-C-O 125.382 2.515 . . . . 85.170000000000002 113.69 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.416 ' OE1' HG21 ' B' ' 43' ' ' THR . 2.4 mt-10 -55.89 119.32 5.63 Favored 'General case' 0 CA--C 1.489 -1.385 0 N-CA-C 120.6 3.556 . . . . 40.439999999999998 120.6 -173.31 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -115.33 116.74 28.79 Favored 'General case' 0 C--O 1.208 -1.095 0 O-C-N 126.394 2.309 . . . . 30.73 108.771 173.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -108.06 163.0 13.53 Favored 'General case' 0 C--O 1.277 2.537 0 CA-C-O 124.74 2.209 . . . . 29.84 114.611 179.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 11.7 tt -162.53 144.9 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.075 0 CA-C-O 115.499 -2.191 . . . . 21.199999999999999 108.673 175.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 71.7 p -62.11 147.99 45.72 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 125.948 2.03 . . . . 21.370000000000001 115.706 177.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 20.8 tp -57.08 -37.06 71.32 Favored 'General case' 0 C--O 1.201 -1.46 0 C-N-CA 115.913 -2.315 . . . . 21.239999999999998 108.112 178.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.25 -60.94 2.7 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.925 1.083 . . . . 100.0 113.925 -176.878 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -53.89 -46.48 71.39 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.895 1.678 . . . . 35.280000000000001 112.898 173.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -59.22 -53.06 62.58 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 120.489 -1.382 . . . . 23.440000000000001 107.884 -179.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.67 -32.2 72.37 Favored 'General case' 0 CA--C 1.497 -1.078 0 CA-C-O 123.49 1.615 . . . . 24.890000000000001 111.219 -179.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' MET . . . . . 0.713 ' HG2' ' O ' ' B' ' 12' ' ' MET . 26.1 ttm -65.28 -36.3 83.66 Favored 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 114.194 -3.002 . . . . 57.340000000000003 114.446 -179.144 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 16.5 tpt85 -76.3 -48.5 19.89 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.928 -1.107 . . . . 26.399999999999999 112.398 178.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -92.61 -16.68 25.33 Favored 'General case' 0 C--O 1.212 -0.919 0 N-CA-C 115.607 1.706 . . . . 26.449999999999999 115.607 -177.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.16 148.23 17.65 Favored Glycine 0 CA--C 1.545 1.948 0 CA-C-N 122.498 2.408 . . . . 27.710000000000001 108.174 -179.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.33 -20.2 66.29 Favored 'General case' 0 CA--C 1.472 -2.031 0 O-C-N 118.741 -2.623 . . . . 81.219999999999999 117.399 -177.841 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 61.3 m -69.41 -53.31 20.04 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-O 121.64 0.734 . . . . 42.490000000000002 112.445 -177.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -27.2 65.19 Favored 'General case' 0 C--O 1.212 -0.919 0 O-C-N 120.757 -1.214 . . . . 92.430000000000007 108.815 179.725 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 46.1 m -64.71 -53.16 51.6 Favored 'General case' 0 CA--C 1.487 -1.452 0 N-CA-C 108.336 -0.987 . . . . 30.98 108.336 -178.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.09 -55.82 7.64 Favored 'General case' 0 N--CA 1.442 -0.872 0 O-C-N 126.029 2.081 . . . . 27.390000000000001 111.74 174.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -53.11 -47.42 68.64 Favored 'General case' 0 C--O 1.192 -1.928 0 CA-C-N 114.538 -1.21 . . . . 100.0 112.698 176.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -59.49 -44.06 93.16 Favored 'General case' 0 C--O 1.191 -1.989 0 O-C-N 121.226 -0.921 . . . . 22.550000000000001 111.081 -177.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 86.9 mt -90.01 -11.19 42.27 Favored 'General case' 0 N--CA 1.484 1.231 0 O-C-N 120.3 -1.5 . . . . 36.350000000000001 111.695 -175.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.546 ' O ' HG23 ' B' ' 25' ' ' VAL . . . 73.38 66.83 1.93 Allowed Glycine 0 C--O 1.184 -2.971 0 N-CA-C 108.967 -1.653 . . . . 38.310000000000002 108.967 -178.477 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 24' ' ' GLY 0.287 1.0 OUTLIER -157.29 175.05 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.05 0 C-N-CA 115.863 -2.335 . . . . 30.960000000000001 110.448 -173.73 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.411 ' O ' ' HB3' ' B' ' 29' ' ' ALA . 56.5 m-85 -80.79 137.76 36.24 Favored 'General case' 0 N--CA 1.404 -2.769 0 C-N-CA 118.267 -1.373 . . . . 70.670000000000002 111.866 -179.417 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? -66.02 -26.3 67.46 Favored 'General case' 0 CA--C 1.478 -1.794 0 CA-C-O 124.029 1.871 . . . . 64.219999999999999 106.282 -177.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' SER . . . . . 0.741 ' O ' ' HB3' ' B' ' 31' ' ' ASN . 37.1 p -61.86 -38.82 89.69 Favored 'General case' 0 C--N 1.279 -2.48 0 C-N-CA 114.038 -3.065 . . . . 52.859999999999999 109.366 176.506 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' B' ' 26' ' ' TYR . . . -59.6 -44.52 93.36 Favored 'General case' 0 C--O 1.221 -0.396 0 O-C-N 121.138 -0.976 . . . . 34.57 113.031 -178.306 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 2.9 mm -54.05 -47.18 66.23 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.191 0 CA-C-O 126.411 3.005 . . . . 27.920000000000002 107.161 -179.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ASN . . . . . 0.741 ' HB3' ' O ' ' B' ' 28' ' ' SER 0.301 1.6 t-20 -53.97 -57.88 9.38 Favored 'General case' 0 N--CA 1.401 -2.886 1 CA-C-N 106.935 -4.666 . . . . 100.0 111.091 -175.199 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' B' ' 28' ' ' SER . 2.8 mmtt -64.64 -45.75 85.5 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 113.887 1.069 . . . . 100.0 113.887 -178.645 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.48 -39.15 72.76 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-O 123.621 1.677 . . . . 26.829999999999998 109.134 176.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 46.6 mt -72.64 -47.33 51.09 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.493 0 C-N-CA 114.255 -2.978 . . . . 32.18 110.016 179.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.29 -22.98 63.79 Favored 'General case' 0 N--CA 1.423 -1.8 0 C-N-CA 113.851 -3.139 . . . . 76.159999999999997 111.216 179.594 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.07 -3.42 57.95 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 113.976 1.102 . . . . 31.030000000000001 113.976 -174.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.68 25.38 75.2 Favored Glycine 0 C--O 1.259 1.714 0 O-C-N 120.341 -1.474 . . . . 32.18 112.534 175.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -64.78 137.48 57.81 Favored 'General case' 0 N--CA 1.507 2.409 0 CA-C-O 117.885 -1.055 . . . . 81.540000000000006 111.162 177.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -81.45 65.15 6.47 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 120.561 1.528 . . . . 28.789999999999999 111.633 -174.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 66.0 mt -95.37 134.33 33.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 C-N-CA 124.291 1.036 . . . . 24.170000000000002 111.658 -177.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -139.43 158.25 44.47 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 116.554 -2.058 . . . . 29.780000000000001 108.669 178.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.479 HD23 ' CG1' ' B' ' 50' ' ' VAL . 10.6 mp -115.3 153.69 30.48 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 116.561 -2.056 . . . . 22.699999999999999 106.01 -176.162 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' THR . . . . . 0.46 ' C ' HD13 ' B' ' 44' ' ' ILE . 81.5 p -117.87 136.56 53.37 Favored 'General case' 0 CA--C 1.479 -1.752 0 O-C-N 126.301 2.251 . . . . 33.890000000000001 105.751 173.431 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.46 HD13 ' C ' ' B' ' 43' ' ' THR . 4.5 mm -107.41 125.87 63.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 O-C-N 126.086 2.116 . . . . 29.59 113.587 -177.734 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -100.5 154.0 18.9 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 117.393 -1.723 . . . . 42.280000000000001 111.72 177.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.91 -25.93 32.52 Favored 'General case' 0 CA--C 1.561 1.395 0 N-CA-C 119.933 3.308 . . . . 46.359999999999999 119.933 177.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 26.4 p30 -82.77 4.76 23.9 Favored 'General case' 0 CA--C 1.467 -2.242 0 O-C-N 119.074 -2.266 . . . . 52.149999999999999 109.746 178.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 88.64 10.9 66.8 Favored Glycine 0 N--CA 1.426 -1.986 0 C-N-CA 115.286 -3.34 . . . . 42.549999999999997 114.163 -178.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 75.1 p -88.13 137.45 32.32 Favored 'General case' 0 CA--C 1.561 1.385 0 C-N-CA 116.324 -2.151 . . . . 34.579999999999998 105.924 177.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.479 ' CG1' HD23 ' B' ' 42' ' ' LEU . 45.2 t -116.52 130.97 70.45 Favored 'Isoleucine or valine' 0 C--O 1.248 0.979 0 C-N-CA 130.767 3.627 . . . . 25.079999999999998 110.1 179.654 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -136.0 155.28 50.48 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-O 122.309 1.052 . . . . 60.359999999999999 109.974 175.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -116.47 143.19 45.89 Favored 'General case' 0 C--N 1.289 -2.063 0 N-CA-C 113.166 0.802 . . . . 20.559999999999999 113.166 -178.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -137.97 158.75 43.69 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 106.355 -1.72 . . . . 43.990000000000002 106.355 176.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -133.07 136.7 46.06 Favored 'General case' 0 N--CA 1.42 -1.972 0 CA-C-N 113.253 -1.794 . . . . 44.939999999999998 114.884 -178.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 83.9 t -90.07 115.14 28.98 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 N-CA-C 108.991 -0.744 . . . . 23.649999999999999 108.991 176.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.455 ' HE3' ' HB2' ' B' ' 56' ' ' LYS . 0.0 OUTLIER -166.8 150.78 7.05 Favored 'General case' 0 N--CA 1.414 -2.225 0 O-C-N 120.437 -1.414 . . . . 72.310000000000002 109.998 178.816 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 53.24 35.2 19.42 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 113.658 -1.61 . . . . 63.109999999999999 113.342 -175.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.87 7.93 88.1 Favored Glycine 0 CA--C 1.544 1.847 0 C-N-CA 125.309 1.433 . . . . 23.219999999999999 113.562 173.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.71 170.54 15.41 Favored 'General case' 0 C--O 1.188 -2.17 0 CA-C-N 117.859 0.829 . . . . 100.0 112.412 176.734 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 20.0 t -108.12 105.81 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.217 0 N-CA-C 106.528 -1.656 . . . . 27.239999999999998 106.528 176.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.37 169.67 7.86 Favored Pre-proline 0 C--N 1.306 -1.294 0 CA-C-O 122.903 1.335 . . . . 84.079999999999998 113.68 -179.282 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -78.86 160.63 27.44 Favored 'Trans proline' 0 CA--C 1.446 -3.893 0 C-N-CA 121.463 1.442 . . . . 38.200000000000003 110.159 -176.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' TRP . . . . . 0.456 ' HA ' ' HA ' ' B' ' 64' ' ' PRO . 71.6 t90 -144.47 125.96 7.94 Favored Pre-proline 0 C--N 1.308 -1.199 0 O-C-N 126.778 2.549 . . . . 34.939999999999998 113.11 179.774 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' PRO . . . . . 0.456 ' HA ' ' HA ' ' B' ' 63' ' ' TRP . 35.7 Cg_endo -96.79 -168.86 1.81 Allowed 'Cis proline' 0 N--CA 1.434 -1.985 0 C-N-CA 119.438 -3.151 . . . . 63.490000000000002 112.045 5.52 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 C--O 1.274 2.365 0 O-C-N 124.682 1.239 . . . . 100.0 112.256 -179.014 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . 0.471 ' HG3' ' N ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.261 1.706 0 CA-C-O 121.372 0.606 . . . . 65.400000000000006 110.197 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 1' ' ' MET . 10.2 mm-40 -73.61 142.38 46.56 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 118.873 -1.131 . . . . 100.0 107.978 176.883 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -123.95 133.06 53.79 Favored 'General case' 0 C--O 1.252 1.199 0 C-N-CA 117.522 -1.671 . . . . 26.620000000000001 108.282 177.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 55.6 mtm180 -116.91 145.2 43.76 Favored 'General case' 0 CA--C 1.463 -2.378 0 CA-C-N 111.522 -2.581 . . . . 28.850000000000001 112.406 -179.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 1.3 tt -147.27 139.89 19.09 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.993 0 CA-C-N 115.174 -0.921 . . . . 23.039999999999999 110.042 173.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.8 p -63.45 157.91 22.12 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 117.634 -1.626 . . . . 23.100000000000001 112.421 -178.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.4 tp -59.83 -40.24 87.81 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-O 121.826 0.822 . . . . 21.940000000000001 110.865 178.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -61.34 -44.93 96.35 Favored 'General case' 0 C--O 1.267 1.985 0 CA-C-O 123.817 1.77 . . . . 100.0 114.35 -178.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -67.4 -39.93 85.58 Favored 'General case' 0 N--CA 1.421 -1.893 0 CA-C-N 111.743 -2.48 . . . . 34.210000000000001 110.833 -179.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -63.76 -47.53 80.62 Favored 'General case' 0 C--O 1.206 -1.231 0 C-N-CA 119.942 -0.703 . . . . 22.300000000000001 111.483 -179.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.76 -40.99 76.82 Favored 'General case' 0 N--CA 1.419 -2.024 0 CA-C-N 114.34 -1.3 . . . . 23.73 111.188 174.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' MET . . . . . 0.59 ' HG3' ' HE1' ' B' ' 12' ' ' MET . 0.0 OUTLIER -57.94 -44.82 87.19 Favored 'General case' 0 N--CA 1.413 -2.279 0 CA-C-N 114.193 -1.367 . . . . 64.769999999999996 113.055 179.508 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.476 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 22.0 tpt85 -78.32 -35.34 47.85 Favored 'General case' 0 CA--C 1.505 -0.774 0 C-N-CA 115.743 -2.383 . . . . 47.670000000000002 114.934 -179.148 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -105.89 -11.64 16.14 Favored 'General case' 0 CA--C 1.45 -2.903 0 O-C-N 121.016 -1.052 . . . . 24.73 111.145 -168.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.26 158.78 28.52 Favored Glycine 0 CA--C 1.494 -1.27 0 N-CA-C 107.95 -2.06 . . . . 29.350000000000001 107.95 -179.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.733 HE22 ' HB2' ' A' ' 31' ' ' ASN . 22.3 mt-30 -76.25 -12.56 60.11 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 116.91 2.189 . . . . 25.309999999999999 116.91 -178.86 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . 0.565 HG23 ' HZ1' ' A' ' 21' ' ' LYS . 23.3 m -76.09 -54.46 6.8 Favored 'General case' 0 N--CA 1.413 -2.322 0 O-C-N 120.579 -1.326 . . . . 38.899999999999999 112.29 178.337 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.57 -50.6 71.44 Favored 'General case' 0 N--CA 1.434 -1.265 0 O-C-N 125.548 1.78 . . . . 53.030000000000001 106.914 175.937 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 84.2 m -50.97 -43.68 60.5 Favored 'General case' 0 C--O 1.21 -0.985 0 C-N-CA 118.677 -1.209 . . . . 23.699999999999999 111.777 177.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.56 -36.44 82.68 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 120.779 -1.2 . . . . 25.170000000000002 110.016 -177.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.565 ' HZ1' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -66.81 -48.34 69.26 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 114.08 -1.418 . . . . 100.0 111.594 178.845 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -58.22 -44.85 88.39 Favored 'General case' 0 C--O 1.201 -1.472 0 CA-C-O 122.951 1.357 . . . . 29.420000000000002 112.238 -179.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.6 mt -88.88 -14.22 37.34 Favored 'General case' 0 CA--C 1.458 -2.589 0 O-C-N 119.463 -2.023 . . . . 27.329999999999998 113.851 -177.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.94 40.93 62.59 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 117.919 1.928 . . . . 39.020000000000003 117.919 178.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.0 m -129.06 -174.39 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 C-N-CA 127.181 2.193 . . . . 37.469999999999999 108.767 175.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -91.72 149.1 21.78 Favored 'General case' 0 CA--C 1.492 -1.276 0 CA-C-O 116.022 -1.942 . . . . 81.430000000000007 112.306 -179.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . 0.266 0.9 OUTLIER -57.45 -32.18 66.67 Favored 'General case' 0 N--CA 1.498 1.971 0 CA-C-N 120.09 1.314 . . . . 49.270000000000003 113.785 177.376 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.3 p -60.28 -43.84 95.88 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.009 -1.108 . . . . 36.619999999999997 108.009 -179.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.13 -40.07 80.34 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 123.999 1.857 . . . . 31.440000000000001 113.481 176.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -76.16 -34.8 26.96 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 O-C-N 118.998 -2.314 . . . . 28.440000000000001 113.039 179.839 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.733 ' HB2' HE22 ' A' ' 16' ' ' GLN . 25.2 t-20 -69.13 -36.77 77.83 Favored 'General case' 0 CA--C 1.501 -0.932 0 C-N-CA 115.137 -2.625 . . . . 54.759999999999998 106.454 -177.532 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -52.12 65.92 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-N 114.274 -1.33 . . . . 98.879999999999995 114.518 178.745 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 126' ' ' HOH . . . -67.84 -32.2 72.55 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 126.076 1.75 . . . . 29.359999999999999 110.227 179.753 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.6 mt -74.47 -42.75 49.41 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.786 0 CA-C-O 123.222 1.487 . . . . 25.690000000000001 108.322 175.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.642 ' HB3' ' O ' ' A' ' 119' ' ' HOH . 47.3 m-70 -65.36 -37.72 87.9 Favored 'General case' 0 N--CA 1.422 -1.852 0 C-N-CA 113.841 -3.144 . . . . 55.0 111.167 178.389 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.57 -12.55 61.73 Favored 'General case' 0 CA--C 1.459 -2.524 0 C-N-CA 116.688 -2.005 . . . . 24.739999999999998 114.103 -177.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.01 22.13 66.53 Favored Glycine 0 CA--C 1.56 2.882 0 C-N-CA 117.104 -2.474 . . . . 28.84 112.12 -176.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -66.17 144.81 56.42 Favored 'General case' 0 CA--C 1.492 -1.251 0 O-C-N 119.836 -1.979 . . . . 61.700000000000003 112.643 179.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.54 68.78 8.01 Favored 'General case' 0 C--O 1.173 -2.971 0 CA-C-N 113.317 -1.765 . . . . 34.310000000000002 111.669 -176.079 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 39.7 mt -103.9 131.97 51.4 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 C-N-CA 125.747 1.619 . . . . 21.530000000000001 112.803 -176.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.444 ' CZ ' ' HB2' ' A' ' 53' ' ' GLU . 40.0 p90 -136.71 146.81 46.31 Favored 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 105.213 -2.143 . . . . 28.440000000000001 105.213 -179.535 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.491 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -106.62 149.37 27.27 Favored 'General case' 0 CA--C 1.485 -1.538 0 CA-C-N 113.955 -1.475 . . . . 23.129999999999999 107.781 -179.608 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 110' ' ' HOH . 17.8 p -119.12 143.35 47.23 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 103.319 -2.845 . . . . 42.159999999999997 103.319 173.71 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 mt -113.39 134.68 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.623 0 O-C-N 125.146 1.529 . . . . 30.57 112.203 -171.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -105.97 154.69 20.24 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 124.911 1.382 . . . . 94.959999999999994 111.99 -178.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.68 -28.25 68.94 Favored 'General case' 0 C--O 1.266 1.927 0 C-N-CA 118.164 -1.415 . . . . 46.939999999999998 113.867 -174.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -67.88 -10.11 50.39 Favored 'General case' 0 C--N 1.369 1.423 0 CA-C-O 122.759 1.266 . . . . 75.810000000000002 109.783 176.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.23 9.36 62.04 Favored Glycine 0 N--CA 1.416 -2.65 0 C-N-CA 117.205 -2.426 . . . . 37.609999999999999 111.766 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.3 m -85.38 139.01 31.89 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 107.476 -1.305 . . . . 88.640000000000001 107.476 179.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.1 t -123.2 137.05 57.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 115.193 1.553 . . . . 35.909999999999997 115.193 -175.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.491 ' O ' ' HA ' ' A' ' 42' ' ' LEU . 17.1 p90 -140.32 159.12 42.89 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 113.985 -3.086 . . . . 70.989999999999995 113.669 168.51 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -113.91 151.07 32.77 Favored 'General case' 0 CA--C 1.493 -1.235 0 O-C-N 120.345 -1.472 . . . . 21.23 114.338 -178.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 41' ' ' PHE . 42.6 mt-10 -137.33 166.83 22.86 Favored 'General case' 0 CA--C 1.485 -1.52 0 CA-C-N 113.61 -1.632 . . . . 36.640000000000001 107.533 174.663 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 61' ' ' LYS . 80.7 tt0 -136.71 138.31 40.88 Favored 'General case' 0 C--O 1.185 -2.311 0 CA-C-N 112.361 -2.199 . . . . 30.390000000000001 113.689 -179.82 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.8 t -89.22 112.67 24.58 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.071 0 N-CA-C 108.123 -1.065 . . . . 25.579999999999998 108.123 172.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.22 137.79 15.99 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.387 -0.824 . . . . 89.790000000000006 110.945 -175.919 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 52.35 44.42 29.86 Favored 'General case' 0 C--O 1.24 0.597 0 O-C-N 125.704 1.877 . . . . 45.729999999999997 115.723 179.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.69 6.3 81.1 Favored Glycine 0 CA--C 1.54 1.647 0 CA-C-N 114.786 -1.097 . . . . 22.140000000000001 113.741 179.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -138.99 173.27 11.74 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 115.05 -2.66 . . . . 100.0 113.566 175.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.5 t -106.08 113.86 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.99 0 N-CA-C 106.832 -1.544 . . . . 23.600000000000001 106.832 -178.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -128.78 169.0 13.95 Favored Pre-proline 0 C--N 1.287 -2.116 0 C-N-CA 117.895 -1.522 . . . . 77.680000000000007 113.169 179.849 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -68.95 151.28 73.65 Favored 'Trans proline' 0 CA--C 1.495 -1.431 0 C-N-CA 123.761 2.974 . . . . 45.32 114.664 178.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.467 ' CD1' ' HA ' ' A' ' 64' ' ' PRO . 60.2 t90 -137.2 125.58 14.72 Favored Pre-proline 0 CA--C 1.459 -2.551 0 CA-C-N 112.209 -2.269 . . . . 29.120000000000001 106.554 179.88 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.467 ' HA ' ' CD1' ' A' ' 63' ' ' TRP . 1.9 Cg_endo -88.19 -178.21 13.81 Favored 'Cis proline' 0 N--CA 1.424 -2.602 0 C-N-CA 120.087 -2.88 . . . . 46.090000000000003 113.243 5.339 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 64' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.261 1.685 0 O-C-N 128.585 3.678 . . . . 100.0 111.202 178.072 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . 0.558 ' O ' HG23 ' A' ' 43' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . 0.642 ' O ' ' HB3' ' A' ' 35' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . 0.494 ' O ' ' HB2' ' A' ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_