data_1gkh_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 1gkh _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' MET . . . . . 0.592 ' H1 ' ' H2 ' ' A' ' 105' ' ' HOH . 26.6 mtp . . . . . 0 C--O 1.224 -0.264 0 N-CA-C 114.587 1.329 . . . . 83.5 114.587 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . 0.806 ' H ' ' H1 ' ' A' ' 105' ' ' HOH . 18.4 mt -87.25 116.73 30.06 Favored 'Isoleucine or valine' 0 C--O 1.242 0.69 0 O-C-N 117.835 -3.041 . . . . 45.79 105.236 170.734 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.76 118.17 29.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 113.972 -1.467 . . . . 49.74 110.433 -179.239 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 66.8 t -113.85 131.05 66.85 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.065 0 CA-C-O 123.969 1.842 . . . . 23.55 108.835 176.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLU . . . . . 0.468 ' CD ' ' HZ3' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -117.22 121.69 41.9 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 113.329 -1.759 . . . . 55.51 111.778 -176.773 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.3 mt -101.18 102.73 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 CA-C-O 124.357 2.027 . . . . 24.5 111.222 168.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . 0.789 ' H ' HE22 ' A' ' 10' ' ' GLN . 35.0 mttp -64.58 157.57 72.44 Favored Pre-proline 0 C--O 1.249 1.04 0 CA-C-N 113.052 -1.885 . . . . 42.47 115.217 178.221 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -51.57 -41.44 60.75 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.929 2.419 . . . . 24.65 111.75 177.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.8 p -61.22 -15.79 38.23 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 115.807 1.78 . . . . 30.76 115.807 174.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLN . . . . . 0.789 HE22 ' H ' ' A' ' 7' ' ' LYS . 15.3 mt-30 -102.9 6.95 39.34 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 114.624 1.342 . . . . 26.74 114.624 -177.266 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.36 -33.19 74.99 Favored 'General case' 0 CA--C 1.562 1.408 0 CA-C-O 123.666 1.698 . . . . 33.67 110.934 166.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -51.51 86.91 0.0 OUTLIER 'General case' 0 C--O 1.244 0.798 0 C-N-CA 129.718 3.207 . . . . 68.88 115.378 170.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -98.95 174.73 6.22 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 117.723 2.49 . . . . 37.8 117.723 175.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.1 p -132.85 165.52 24.42 Favored 'General case' 0 CA--C 1.488 -1.441 0 C-N-CA 123.951 0.9 . . . . 38.02 110.665 -178.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.6 m -133.49 125.28 28.61 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 106.005 -1.85 . . . . 30.76 106.005 -174.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -103.74 141.06 36.74 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 125.637 2.637 . . . . 43.96 112.173 170.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.7 m -133.26 159.28 40.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 111.29 -2.686 . . . . 44.11 114.142 -170.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 176.77 -173.93 46.66 Favored Glycine 0 C--O 1.225 -0.425 0 CA-C-N 112.793 -2.003 . . . . 48.21 110.836 176.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 73.3 t -122.64 146.88 27.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 106.708 -1.59 . . . . 74.05 106.708 175.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.0 p -82.97 160.36 22.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 120.05 -1.656 . . . . 84.09 113.419 177.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.9 ttp-105 -42.12 -54.9 3.44 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.968 1.307 . . . . 109.03 111.085 174.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.2 42.0 0.05 Allowed 'General case' 0 CA--C 1.559 1.309 0 N-CA-C 117.062 2.245 . . . . 96.31 117.062 174.337 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.53 9.64 13.67 Favored Glycine 0 CA--C 1.543 1.818 0 N-CA-C 120.09 2.796 . . . . 89.46 120.09 178.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . 0.434 ' HZ1' ' CB ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -120.36 121.22 29.44 Favored Pre-proline 0 C--N 1.346 0.439 0 N-CA-C 119.539 3.163 . . . . 79.51 119.539 -176.084 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -65.48 166.07 20.72 Favored 'Trans proline' 0 C--O 1.243 0.758 0 C-N-CA 124.728 3.619 . . . . 68.23 114.966 -171.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -148.4 161.23 41.99 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 122.909 1.337 . . . . 46.85 112.485 177.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.6 m -145.85 126.06 13.85 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.699 -1.591 . . . . 45.39 111.014 173.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -119.8 130.35 54.89 Favored 'General case' 0 CA--C 1.486 -1.518 0 O-C-N 119.403 -2.061 . . . . 29.86 108.357 176.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -80.11 141.87 35.36 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 123.471 1.605 . . . . 40.59 113.595 169.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLU . . . . . 0.408 ' CG ' ' HZ2' ' A' ' 46' ' ' LYS . 9.0 mt-10 -130.8 137.18 49.31 Favored 'General case' 0 N--CA 1.402 -2.875 0 CA-C-O 123.665 1.697 . . . . 51.78 108.372 -175.845 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -141.24 150.2 42.34 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 113.616 -1.629 . . . . 26.05 112.395 177.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.0 mt -95.27 160.95 14.3 Favored 'General case' 0 N--CA 1.423 -1.798 0 O-C-N 121.114 -0.991 . . . . 23.73 110.436 176.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 22.7 p -162.81 171.18 17.1 Favored 'General case' 0 CA--C 1.48 -1.714 0 CA-C-O 122.317 1.056 . . . . 22.28 108.917 178.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -114.5 127.74 55.97 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 114.75 -1.114 . . . . 38.01 110.224 -179.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.0 t -116.19 128.9 73.36 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.935 0 N-CA-C 108.451 -0.944 . . . . 26.32 108.451 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -91.09 115.31 27.92 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-O 124.238 1.971 . . . . 48.08 109.526 179.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.32 27.36 9.75 Favored 'General case' 0 N--CA 1.436 -1.127 1 CA-C-N 107.45 -4.432 . . . . 38.25 109.134 -178.962 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.6 -9.56 1.27 Allowed Glycine 0 CA--C 1.556 2.616 0 CA-C-N 123.455 2.843 . . . . 48.69 119.51 178.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -179.6 0.54 Allowed 'General case' 0 CA--C 1.55 0.963 0 O-C-N 118.518 -2.754 . . . . 71.97 112.386 173.113 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -50.06 -53.69 25.34 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 124.137 3.153 . . . . 77.96 116.361 176.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -118.41 169.2 8.16 Favored Pre-proline 0 C--O 1.245 0.824 0 O-C-N 119.311 -2.118 . . . . 40.8 111.604 170.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.61 152.7 79.11 Favored 'Trans proline' 0 N--CA 1.475 0.43 0 C-N-CA 124.047 3.165 . . . . 37.18 115.083 166.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.6 m -92.26 147.15 5.53 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 O-C-N 120.776 -1.202 . . . . 30.13 109.391 -177.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.88 123.93 25.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.436 1.112 . . . . 26.27 111.097 169.169 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.3 t -125.38 146.22 31.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 O-C-N 119.01 -2.306 . . . . 25.04 111.057 177.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . 0.408 ' HZ2' ' CG ' ' A' ' 30' ' ' GLU . 27.4 tttp -99.12 133.23 43.69 Favored 'General case' 0 N--CA 1.427 -1.605 0 O-C-N 118.964 -2.335 . . . . 60.82 113.546 171.001 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.3 mt -111.27 139.69 34.12 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 O-C-N 120.339 -1.476 . . . . 35.14 107.837 176.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 95.3 m -116.73 113.24 22.32 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 104.661 -2.348 . . . . 35.18 104.661 172.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.9 mp -72.27 158.65 35.44 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 115.835 1.791 . . . . 42.91 115.835 -175.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -72.85 165.21 25.35 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 119.126 -2.233 . . . . 52.68 113.182 177.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -51.72 125.21 14.28 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 119.419 1.009 . . . . 79.25 110.532 -179.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLY . . . . . 0.667 ' H ' ' H1 ' ' A' ' 137' ' ' HOH . . . 67.54 12.58 61.74 Favored Glycine 0 CA--C 1.523 0.584 0 C-N-CA 119.896 -1.145 . . . . 58.17 115.436 178.075 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLN . . . . . 0.849 HE21 ' H2 ' ' A' ' 89' ' ' HOH . 4.5 tp60 -83.25 125.67 73.85 Favored Pre-proline 0 CA--C 1.555 1.168 0 O-C-N 120.5 -1.589 . . . . 71.86 109.091 170.845 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -62.41 151.62 81.76 Favored 'Trans proline' 0 CA--C 1.498 -1.3 0 C-N-CA 123.996 3.131 . . . . 50.41 112.804 172.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ALA . . . . . 0.824 ' H ' ' H1 ' ' A' ' 116' ' ' HOH . . . -66.25 158.2 29.56 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 119.114 0.87 . . . . 39.26 112.187 174.296 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -82.38 141.95 32.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.391 -0.822 . . . . 28.54 111.989 -178.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ALA . . . . . 0.523 ' H ' ' H2 ' ' A' ' 98' ' ' HOH . . . -74.82 155.69 86.77 Favored Pre-proline 0 C--O 1.245 0.845 0 CA-C-N 115.315 -0.857 . . . . 32.34 110.343 173.375 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -48.86 147.37 10.29 Favored 'Trans proline' 0 C--O 1.249 1.072 0 C-N-CA 122.628 2.218 . . . . 33.8 113.416 166.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.23 178.37 19.0 Favored Glycine 0 C--O 1.218 -0.881 0 CA-C-N 110.248 -3.16 . . . . 28.13 112.545 -178.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . 0.423 ' H ' ' H1 ' ' A' ' 106' ' ' HOH . 54.7 mt -94.14 133.61 37.46 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-O 125.856 2.741 . . . . 33.87 110.435 176.135 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -132.5 164.82 25.74 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 110.82 -2.9 . . . . 31.83 110.201 -175.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 t -132.17 164.17 26.92 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 116.186 -2.205 . . . . 40.48 107.118 169.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.2 t -77.57 123.05 33.58 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 N-CA-C 115.735 1.754 . . . . 34.25 115.735 179.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -79.41 142.95 35.5 Favored 'General case' 0 N--CA 1.438 -1.053 0 O-C-N 118.397 -2.689 . . . . 35.8 110.05 -179.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 54.0 mt -54.6 -33.95 61.2 Favored 'General case' 0 CA--C 1.488 -1.419 0 N-CA-C 113.932 1.086 . . . . 27.28 113.932 -175.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.4 p -59.87 -9.03 2.53 Favored 'General case' 0 C--O 1.244 0.779 0 N-CA-C 117.132 2.271 . . . . 32.61 117.132 174.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 m -65.11 -18.07 64.99 Favored 'General case' 0 C--N 1.346 0.451 0 O-C-N 120.421 -1.424 . . . . 21.38 113.191 170.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -110.22 157.08 19.82 Favored 'General case' 0 CA--C 1.495 -1.141 0 CA-C-O 124.227 1.965 . . . . 24.09 112.821 -170.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -161.56 166.3 27.19 Favored 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.562 -1.336 . . . . 45.37 108.836 174.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.1 t -82.51 119.98 33.06 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.825 0 CA-C-N 115.586 -0.734 . . . . 26.17 109.947 176.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.49 179.85 42.74 Favored Glycine 0 N--CA 1.431 -1.639 0 CA-C-O 126.553 3.307 . . . . 38.26 116.565 176.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -52.49 -33.85 46.72 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 108.598 -3.801 . . . . 57.84 116.913 -177.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -99.45 17.72 19.58 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 120.72 -1.237 . . . . 39.9 113.323 177.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.36 -7.46 64.37 Favored Glycine 0 CA--C 1.537 1.418 0 O-C-N 117.344 -3.347 . . . . 28.52 117.52 -178.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.6 p -89.26 158.25 17.91 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 118.29 -2.888 . . . . 31.95 114.189 -179.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 16.0 tp -76.22 131.13 39.13 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 119.387 -2.07 . . . . 25.22 109.081 178.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.9 mtm -122.16 154.51 37.34 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-N 112.835 -1.984 . . . . 60.01 114.189 174.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 56.1 mt -81.51 125.76 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 120.329 -1.482 . . . . 25.1 109.456 166.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -74.28 -76.47 0.13 Allowed 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 104.306 -2.479 . . . . 47.6 104.306 175.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.3 ptp85 -145.5 149.73 35.17 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 120.614 -1.304 . . . . 42.18 109.207 162.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.87 107.15 0.93 Allowed 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 120.443 1.474 . . . . 32.9 114.597 -179.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.0 mtt85 -102.67 116.35 32.4 Favored 'General case' 0 CA--C 1.512 -0.483 0 O-C-N 120.753 -1.217 . . . . 34.87 108.99 177.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.5 mt -104.62 150.76 24.39 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 119.805 -1.809 . . . . 28.04 115.587 -174.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.7 m -130.92 140.59 39.15 Favored Pre-proline 0 CA--C 1.512 -0.491 0 CA-C-N 112.108 -2.314 . . . . 30.72 106.818 176.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -55.82 137.85 79.89 Favored 'Trans proline' 0 N--CA 1.444 -1.434 0 O-C-N 118.295 -1.476 . . . . 33.3 113.355 175.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.105 0 O-C-N 128.198 3.436 . . . . 47.93 115.047 168.453 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HOH . . . . . 0.849 ' H2 ' HE21 ' A' ' 53' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . 0.523 ' H2 ' ' H ' ' A' ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . 0.806 ' H1 ' ' H ' ' A' ' 2' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . 0.423 ' H1 ' ' H ' ' A' ' 60' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . 0.824 ' H1 ' ' H ' ' A' ' 55' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . 0.667 ' H1 ' ' H ' ' A' ' 52' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 mtp . . . . . 0 C--O 1.224 -0.264 0 N-CA-C 114.587 1.329 . . . . 83.5 114.587 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.4 mt -87.25 116.73 30.06 Favored 'Isoleucine or valine' 0 C--O 1.242 0.69 0 O-C-N 117.835 -3.041 . . . . 45.79 105.236 170.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.76 118.17 29.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 113.972 -1.467 . . . . 49.74 110.433 -179.239 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 66.8 t -113.85 131.05 66.85 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.065 0 CA-C-O 123.969 1.842 . . . . 23.55 108.835 176.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -117.22 121.69 41.9 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 113.329 -1.759 . . . . 55.51 111.778 -176.773 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . 0.621 HD12 ' HB2' ' A' ' 56' ' ' TYR . 2.3 mt -101.18 102.73 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 CA-C-O 124.357 2.027 . . . . 24.5 111.222 168.502 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -64.58 157.57 72.44 Favored Pre-proline 0 C--O 1.249 1.04 0 CA-C-N 113.052 -1.885 . . . . 42.47 115.217 178.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -51.57 -41.44 60.75 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.929 2.419 . . . . 24.65 111.75 177.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.8 p -61.22 -15.79 38.23 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 115.807 1.78 . . . . 30.76 115.807 174.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -102.9 6.95 39.34 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 114.624 1.342 . . . . 26.74 114.624 -177.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.36 -33.19 74.99 Favored 'General case' 0 CA--C 1.562 1.408 0 CA-C-O 123.666 1.698 . . . . 33.67 110.934 166.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -51.51 86.91 0.0 OUTLIER 'General case' 0 C--O 1.244 0.798 0 C-N-CA 129.718 3.207 . . . . 68.88 115.378 170.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -98.95 174.73 6.22 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 117.723 2.49 . . . . 37.8 117.723 175.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.1 p -132.85 165.52 24.42 Favored 'General case' 0 CA--C 1.488 -1.441 0 C-N-CA 123.951 0.9 . . . . 38.02 110.665 -178.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.6 m -133.49 125.28 28.61 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 106.005 -1.85 . . . . 30.76 106.005 -174.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ARG . . . . . 0.475 ' O ' ' HA ' ' A' ' 27' ' ' SER . 12.0 ptm180 -103.74 141.06 36.74 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 125.637 2.637 . . . . 43.96 112.173 170.946 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.7 m -133.26 159.28 40.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 111.29 -2.686 . . . . 44.11 114.142 -170.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 176.77 -173.93 46.66 Favored Glycine 0 C--O 1.225 -0.425 0 CA-C-N 112.793 -2.003 . . . . 48.21 110.836 176.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' VAL . . . . . 0.828 ' HA ' ' HA ' ' A' ' 25' ' ' PRO . 73.3 t -122.64 146.88 27.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 106.708 -1.59 . . . . 74.05 106.708 175.36 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.0 p -82.97 160.36 22.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 120.05 -1.656 . . . . 84.09 113.419 177.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.9 ttp-105 -42.12 -54.9 3.44 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.968 1.307 . . . . 109.03 111.085 174.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.2 42.0 0.05 Allowed 'General case' 0 CA--C 1.559 1.309 0 N-CA-C 117.062 2.245 . . . . 96.31 117.062 174.337 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.53 9.64 13.67 Favored Glycine 0 CA--C 1.543 1.818 0 N-CA-C 120.09 2.796 . . . . 89.46 120.09 178.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . 0.542 ' HB2' ' HZ3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -120.36 121.22 29.44 Favored Pre-proline 0 C--N 1.346 0.439 0 N-CA-C 119.539 3.163 . . . . 79.51 119.539 -176.084 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . 0.828 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 38.6 Cg_exo -65.48 166.07 20.72 Favored 'Trans proline' 0 C--O 1.243 0.758 0 C-N-CA 124.728 3.619 . . . . 68.23 114.966 -171.702 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -148.4 161.23 41.99 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 122.909 1.337 . . . . 46.85 112.485 177.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' SER . . . . . 0.475 ' HA ' ' O ' ' A' ' 16' ' ' ARG . 4.6 m -145.85 126.06 13.85 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.699 -1.591 . . . . 45.39 111.014 173.849 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -119.8 130.35 54.89 Favored 'General case' 0 CA--C 1.486 -1.518 0 O-C-N 119.403 -2.061 . . . . 29.86 108.357 176.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -80.11 141.87 35.36 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 123.471 1.605 . . . . 40.59 113.595 169.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLU . . . . . 0.636 ' HB3' ' HZ2' ' A' ' 46' ' ' LYS . 9.0 mt-10 -130.8 137.18 49.31 Favored 'General case' 0 N--CA 1.402 -2.875 0 CA-C-O 123.665 1.697 . . . . 51.78 108.372 -175.845 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -141.24 150.2 42.34 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 113.616 -1.629 . . . . 26.05 112.395 177.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.0 mt -95.27 160.95 14.3 Favored 'General case' 0 N--CA 1.423 -1.798 0 O-C-N 121.114 -0.991 . . . . 23.73 110.436 176.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 22.7 p -162.81 171.18 17.1 Favored 'General case' 0 CA--C 1.48 -1.714 0 CA-C-O 122.317 1.056 . . . . 22.28 108.917 178.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -114.5 127.74 55.97 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 114.75 -1.114 . . . . 38.01 110.224 -179.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.0 t -116.19 128.9 73.36 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.935 0 N-CA-C 108.451 -0.944 . . . . 26.32 108.451 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -91.09 115.31 27.92 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-O 124.238 1.971 . . . . 48.08 109.526 179.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.32 27.36 9.75 Favored 'General case' 0 N--CA 1.436 -1.127 1 CA-C-N 107.45 -4.432 . . . . 38.25 109.134 -178.962 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.6 -9.56 1.27 Allowed Glycine 0 CA--C 1.556 2.616 0 CA-C-N 123.455 2.843 . . . . 48.69 119.51 178.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -179.6 0.54 Allowed 'General case' 0 CA--C 1.55 0.963 0 O-C-N 118.518 -2.754 . . . . 71.97 112.386 173.113 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -50.06 -53.69 25.34 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 124.137 3.153 . . . . 77.96 116.361 176.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -118.41 169.2 8.16 Favored Pre-proline 0 C--O 1.245 0.824 0 O-C-N 119.311 -2.118 . . . . 40.8 111.604 170.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.61 152.7 79.11 Favored 'Trans proline' 0 N--CA 1.475 0.43 0 C-N-CA 124.047 3.165 . . . . 37.18 115.083 166.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' VAL . . . . . 0.456 HG23 HG23 ' A' ' 45' ' ' VAL . 24.6 m -92.26 147.15 5.53 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 O-C-N 120.776 -1.202 . . . . 30.13 109.391 -177.229 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.88 123.93 25.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.436 1.112 . . . . 26.27 111.097 169.169 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' VAL . . . . . 0.456 HG23 HG23 ' A' ' 43' ' ' VAL . 8.3 t -125.38 146.22 31.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 O-C-N 119.01 -2.306 . . . . 25.04 111.057 177.853 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . 0.636 ' HZ2' ' HB3' ' A' ' 30' ' ' GLU . 27.4 tttp -99.12 133.23 43.69 Favored 'General case' 0 N--CA 1.427 -1.605 0 O-C-N 118.964 -2.335 . . . . 60.82 113.546 171.001 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.3 mt -111.27 139.69 34.12 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 O-C-N 120.339 -1.476 . . . . 35.14 107.837 176.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 95.3 m -116.73 113.24 22.32 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 104.661 -2.348 . . . . 35.18 104.661 172.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LEU . . . . . 0.621 HD21 ' HA ' ' A' ' 55' ' ' ALA . 6.9 mp -72.27 158.65 35.44 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 115.835 1.791 . . . . 42.91 115.835 -175.391 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -72.85 165.21 25.35 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 119.126 -2.233 . . . . 52.68 113.182 177.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -51.72 125.21 14.28 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 119.419 1.009 . . . . 79.25 110.532 -179.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.54 12.58 61.74 Favored Glycine 0 CA--C 1.523 0.584 0 C-N-CA 119.896 -1.145 . . . . 58.17 115.436 178.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -83.25 125.67 73.85 Favored Pre-proline 0 CA--C 1.555 1.168 0 O-C-N 120.5 -1.589 . . . . 71.86 109.091 170.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -62.41 151.62 81.76 Favored 'Trans proline' 0 CA--C 1.498 -1.3 0 C-N-CA 123.996 3.131 . . . . 50.41 112.804 172.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ALA . . . . . 0.621 ' HA ' HD21 ' A' ' 49' ' ' LEU . . . -66.25 158.2 29.56 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 119.114 0.87 . . . . 39.26 112.187 174.296 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' TYR . . . . . 0.621 ' HB2' HD12 ' A' ' 6' ' ' ILE . 92.0 m-85 -82.38 141.95 32.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.391 -0.822 . . . . 28.54 111.989 -178.827 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.82 155.69 86.77 Favored Pre-proline 0 C--O 1.245 0.845 0 CA-C-N 115.315 -0.857 . . . . 32.34 110.343 173.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -48.86 147.37 10.29 Favored 'Trans proline' 0 C--O 1.249 1.072 0 C-N-CA 122.628 2.218 . . . . 33.8 113.416 166.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.23 178.37 19.0 Favored Glycine 0 C--O 1.218 -0.881 0 CA-C-N 110.248 -3.16 . . . . 28.13 112.545 -178.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 54.7 mt -94.14 133.61 37.46 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-O 125.856 2.741 . . . . 33.87 110.435 176.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -132.5 164.82 25.74 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 110.82 -2.9 . . . . 31.83 110.201 -175.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 t -132.17 164.17 26.92 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 116.186 -2.205 . . . . 40.48 107.118 169.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.2 t -77.57 123.05 33.58 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 N-CA-C 115.735 1.754 . . . . 34.25 115.735 179.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -79.41 142.95 35.5 Favored 'General case' 0 N--CA 1.438 -1.053 0 O-C-N 118.397 -2.689 . . . . 35.8 110.05 -179.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 54.0 mt -54.6 -33.95 61.2 Favored 'General case' 0 CA--C 1.488 -1.419 0 N-CA-C 113.932 1.086 . . . . 27.28 113.932 -175.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.4 p -59.87 -9.03 2.53 Favored 'General case' 0 C--O 1.244 0.779 0 N-CA-C 117.132 2.271 . . . . 32.61 117.132 174.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 m -65.11 -18.07 64.99 Favored 'General case' 0 C--N 1.346 0.451 0 O-C-N 120.421 -1.424 . . . . 21.38 113.191 170.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -110.22 157.08 19.82 Favored 'General case' 0 CA--C 1.495 -1.141 0 CA-C-O 124.227 1.965 . . . . 24.09 112.821 -170.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -161.56 166.3 27.19 Favored 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.562 -1.336 . . . . 45.37 108.836 174.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.1 t -82.51 119.98 33.06 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.825 0 CA-C-N 115.586 -0.734 . . . . 26.17 109.947 176.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.49 179.85 42.74 Favored Glycine 0 N--CA 1.431 -1.639 0 CA-C-O 126.553 3.307 . . . . 38.26 116.565 176.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -52.49 -33.85 46.72 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 108.598 -3.801 . . . . 57.84 116.913 -177.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -99.45 17.72 19.58 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 120.72 -1.237 . . . . 39.9 113.323 177.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.36 -7.46 64.37 Favored Glycine 0 CA--C 1.537 1.418 0 O-C-N 117.344 -3.347 . . . . 28.52 117.52 -178.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.6 p -89.26 158.25 17.91 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 118.29 -2.888 . . . . 31.95 114.189 -179.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 16.0 tp -76.22 131.13 39.13 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 119.387 -2.07 . . . . 25.22 109.081 178.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.9 mtm -122.16 154.51 37.34 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-N 112.835 -1.984 . . . . 60.01 114.189 174.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 56.1 mt -81.51 125.76 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 120.329 -1.482 . . . . 25.1 109.456 166.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -74.28 -76.47 0.13 Allowed 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 104.306 -2.479 . . . . 47.6 104.306 175.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.3 ptp85 -145.5 149.73 35.17 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 120.614 -1.304 . . . . 42.18 109.207 162.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.87 107.15 0.93 Allowed 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 120.443 1.474 . . . . 32.9 114.597 -179.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.0 mtt85 -102.67 116.35 32.4 Favored 'General case' 0 CA--C 1.512 -0.483 0 O-C-N 120.753 -1.217 . . . . 34.87 108.99 177.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.5 mt -104.62 150.76 24.39 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 119.805 -1.809 . . . . 28.04 115.587 -174.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.7 m -130.92 140.59 39.15 Favored Pre-proline 0 CA--C 1.512 -0.491 0 CA-C-N 112.108 -2.314 . . . . 30.72 106.818 176.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -55.82 137.85 79.89 Favored 'Trans proline' 0 N--CA 1.444 -1.434 0 O-C-N 118.295 -1.476 . . . . 33.3 113.355 175.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.105 0 O-C-N 128.198 3.436 . . . . 47.93 115.047 168.453 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 mtp . . . . . 0 C--O 1.224 -0.264 0 N-CA-C 114.587 1.329 . . . . 83.5 114.587 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.4 mt -87.25 116.73 30.06 Favored 'Isoleucine or valine' 0 C--O 1.242 0.69 0 O-C-N 117.835 -3.041 . . . . 45.79 105.236 170.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.76 118.17 29.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 113.972 -1.467 . . . . 49.74 110.433 -179.239 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 66.8 t -113.85 131.05 66.85 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.065 0 CA-C-O 123.969 1.842 . . . . 23.55 108.835 176.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -117.22 121.69 41.9 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 113.329 -1.759 . . . . 55.51 111.778 -176.773 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.621 HD12 ' HB2' ' A' ' 56' ' ' TYR . 2.3 mt -101.18 102.73 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 CA-C-O 124.357 2.027 . . . . 24.5 111.222 168.502 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.641 ' H ' HE21 ' A' ' 10' ' ' GLN . 35.0 mttp -64.58 157.57 72.44 Favored Pre-proline 0 C--O 1.249 1.04 0 CA-C-N 113.052 -1.885 . . . . 42.47 115.217 178.221 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -51.57 -41.44 60.75 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.929 2.419 . . . . 24.65 111.75 177.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.8 p -61.22 -15.79 38.23 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 115.807 1.78 . . . . 30.76 115.807 174.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.641 HE21 ' H ' ' A' ' 7' ' ' LYS . 15.3 mt-30 -102.9 6.95 39.34 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 114.624 1.342 . . . . 26.74 114.624 -177.266 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.36 -33.19 74.99 Favored 'General case' 0 CA--C 1.562 1.408 0 CA-C-O 123.666 1.698 . . . . 33.67 110.934 166.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -51.51 86.91 0.0 OUTLIER 'General case' 0 C--O 1.244 0.798 0 C-N-CA 129.718 3.207 . . . . 68.88 115.378 170.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -98.95 174.73 6.22 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 117.723 2.49 . . . . 37.8 117.723 175.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.1 p -132.85 165.52 24.42 Favored 'General case' 0 CA--C 1.488 -1.441 0 C-N-CA 123.951 0.9 . . . . 38.02 110.665 -178.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.6 m -133.49 125.28 28.61 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 106.005 -1.85 . . . . 30.76 106.005 -174.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.475 ' O ' ' HA ' ' A' ' 27' ' ' SER . 12.0 ptm180 -103.74 141.06 36.74 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 125.637 2.637 . . . . 43.96 112.173 170.946 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.7 m -133.26 159.28 40.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 111.29 -2.686 . . . . 44.11 114.142 -170.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 176.77 -173.93 46.66 Favored Glycine 0 C--O 1.225 -0.425 0 CA-C-N 112.793 -2.003 . . . . 48.21 110.836 176.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.828 ' HA ' ' HA ' ' A' ' 25' ' ' PRO . 73.3 t -122.64 146.88 27.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 N-CA-C 106.708 -1.59 . . . . 74.05 106.708 175.36 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.0 p -82.97 160.36 22.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 120.05 -1.656 . . . . 84.09 113.419 177.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.9 ttp-105 -42.12 -54.9 3.44 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.968 1.307 . . . . 109.03 111.085 174.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.2 42.0 0.05 Allowed 'General case' 0 CA--C 1.559 1.309 0 N-CA-C 117.062 2.245 . . . . 96.31 117.062 174.337 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.53 9.64 13.67 Favored Glycine 0 CA--C 1.543 1.818 0 N-CA-C 120.09 2.796 . . . . 89.46 120.09 178.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.542 ' HB2' ' HZ3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -120.36 121.22 29.44 Favored Pre-proline 0 C--N 1.346 0.439 0 N-CA-C 119.539 3.163 . . . . 79.51 119.539 -176.084 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.828 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 38.6 Cg_exo -65.48 166.07 20.72 Favored 'Trans proline' 0 C--O 1.243 0.758 0 C-N-CA 124.728 3.619 . . . . 68.23 114.966 -171.702 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -148.4 161.23 41.99 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 122.909 1.337 . . . . 46.85 112.485 177.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' SER . . . . . 0.475 ' HA ' ' O ' ' A' ' 16' ' ' ARG . 4.6 m -145.85 126.06 13.85 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 113.699 -1.591 . . . . 45.39 111.014 173.849 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -119.8 130.35 54.89 Favored 'General case' 0 CA--C 1.486 -1.518 0 O-C-N 119.403 -2.061 . . . . 29.86 108.357 176.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -80.11 141.87 35.36 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 123.471 1.605 . . . . 40.59 113.595 169.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.636 ' HB3' ' HZ2' ' A' ' 46' ' ' LYS . 9.0 mt-10 -130.8 137.18 49.31 Favored 'General case' 0 N--CA 1.402 -2.875 0 CA-C-O 123.665 1.697 . . . . 51.78 108.372 -175.845 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -141.24 150.2 42.34 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 113.616 -1.629 . . . . 26.05 112.395 177.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.0 mt -95.27 160.95 14.3 Favored 'General case' 0 N--CA 1.423 -1.798 0 O-C-N 121.114 -0.991 . . . . 23.73 110.436 176.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 22.7 p -162.81 171.18 17.1 Favored 'General case' 0 CA--C 1.48 -1.714 0 CA-C-O 122.317 1.056 . . . . 22.28 108.917 178.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -114.5 127.74 55.97 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-N 114.75 -1.114 . . . . 38.01 110.224 -179.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.0 t -116.19 128.9 73.36 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.935 0 N-CA-C 108.451 -0.944 . . . . 26.32 108.451 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -91.09 115.31 27.92 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-O 124.238 1.971 . . . . 48.08 109.526 179.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.32 27.36 9.75 Favored 'General case' 0 N--CA 1.436 -1.127 1 CA-C-N 107.45 -4.432 . . . . 38.25 109.134 -178.962 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.6 -9.56 1.27 Allowed Glycine 0 CA--C 1.556 2.616 0 CA-C-N 123.455 2.843 . . . . 48.69 119.51 178.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -179.6 0.54 Allowed 'General case' 0 CA--C 1.55 0.963 0 O-C-N 118.518 -2.754 . . . . 71.97 112.386 173.113 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -50.06 -53.69 25.34 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-N 124.137 3.153 . . . . 77.96 116.361 176.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -118.41 169.2 8.16 Favored Pre-proline 0 C--O 1.245 0.824 0 O-C-N 119.311 -2.118 . . . . 40.8 111.604 170.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.61 152.7 79.11 Favored 'Trans proline' 0 N--CA 1.475 0.43 0 C-N-CA 124.047 3.165 . . . . 37.18 115.083 166.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.456 HG23 HG23 ' A' ' 45' ' ' VAL . 24.6 m -92.26 147.15 5.53 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 O-C-N 120.776 -1.202 . . . . 30.13 109.391 -177.229 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.88 123.93 25.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.436 1.112 . . . . 26.27 111.097 169.169 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.456 HG23 HG23 ' A' ' 43' ' ' VAL . 8.3 t -125.38 146.22 31.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 O-C-N 119.01 -2.306 . . . . 25.04 111.057 177.853 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.636 ' HZ2' ' HB3' ' A' ' 30' ' ' GLU . 27.4 tttp -99.12 133.23 43.69 Favored 'General case' 0 N--CA 1.427 -1.605 0 O-C-N 118.964 -2.335 . . . . 60.82 113.546 171.001 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.3 mt -111.27 139.69 34.12 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 O-C-N 120.339 -1.476 . . . . 35.14 107.837 176.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 95.3 m -116.73 113.24 22.32 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 104.661 -2.348 . . . . 35.18 104.661 172.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.621 HD21 ' HA ' ' A' ' 55' ' ' ALA . 6.9 mp -72.27 158.65 35.44 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 115.835 1.791 . . . . 42.91 115.835 -175.391 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -72.85 165.21 25.35 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 119.126 -2.233 . . . . 52.68 113.182 177.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -51.72 125.21 14.28 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 119.419 1.009 . . . . 79.25 110.532 -179.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.54 12.58 61.74 Favored Glycine 0 CA--C 1.523 0.584 0 C-N-CA 119.896 -1.145 . . . . 58.17 115.436 178.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -83.25 125.67 73.85 Favored Pre-proline 0 CA--C 1.555 1.168 0 O-C-N 120.5 -1.589 . . . . 71.86 109.091 170.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -62.41 151.62 81.76 Favored 'Trans proline' 0 CA--C 1.498 -1.3 0 C-N-CA 123.996 3.131 . . . . 50.41 112.804 172.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.621 ' HA ' HD21 ' A' ' 49' ' ' LEU . . . -66.25 158.2 29.56 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 119.114 0.87 . . . . 39.26 112.187 174.296 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.621 ' HB2' HD12 ' A' ' 6' ' ' ILE . 92.0 m-85 -82.38 141.95 32.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.391 -0.822 . . . . 28.54 111.989 -178.827 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.82 155.69 86.77 Favored Pre-proline 0 C--O 1.245 0.845 0 CA-C-N 115.315 -0.857 . . . . 32.34 110.343 173.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -48.86 147.37 10.29 Favored 'Trans proline' 0 C--O 1.249 1.072 0 C-N-CA 122.628 2.218 . . . . 33.8 113.416 166.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.23 178.37 19.0 Favored Glycine 0 C--O 1.218 -0.881 0 CA-C-N 110.248 -3.16 . . . . 28.13 112.545 -178.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 54.7 mt -94.14 133.61 37.46 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-O 125.856 2.741 . . . . 33.87 110.435 176.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -132.5 164.82 25.74 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 110.82 -2.9 . . . . 31.83 110.201 -175.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 t -132.17 164.17 26.92 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 116.186 -2.205 . . . . 40.48 107.118 169.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.2 t -77.57 123.05 33.58 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 N-CA-C 115.735 1.754 . . . . 34.25 115.735 179.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -79.41 142.95 35.5 Favored 'General case' 0 N--CA 1.438 -1.053 0 O-C-N 118.397 -2.689 . . . . 35.8 110.05 -179.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 54.0 mt -54.6 -33.95 61.2 Favored 'General case' 0 CA--C 1.488 -1.419 0 N-CA-C 113.932 1.086 . . . . 27.28 113.932 -175.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.4 p -59.87 -9.03 2.53 Favored 'General case' 0 C--O 1.244 0.779 0 N-CA-C 117.132 2.271 . . . . 32.61 117.132 174.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 m -65.11 -18.07 64.99 Favored 'General case' 0 C--N 1.346 0.451 0 O-C-N 120.421 -1.424 . . . . 21.38 113.191 170.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -110.22 157.08 19.82 Favored 'General case' 0 CA--C 1.495 -1.141 0 CA-C-O 124.227 1.965 . . . . 24.09 112.821 -170.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -161.56 166.3 27.19 Favored 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.562 -1.336 . . . . 45.37 108.836 174.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.1 t -82.51 119.98 33.06 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.825 0 CA-C-N 115.586 -0.734 . . . . 26.17 109.947 176.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.49 179.85 42.74 Favored Glycine 0 N--CA 1.431 -1.639 0 CA-C-O 126.553 3.307 . . . . 38.26 116.565 176.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -52.49 -33.85 46.72 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 108.598 -3.801 . . . . 57.84 116.913 -177.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -99.45 17.72 19.58 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 120.72 -1.237 . . . . 39.9 113.323 177.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.36 -7.46 64.37 Favored Glycine 0 CA--C 1.537 1.418 0 O-C-N 117.344 -3.347 . . . . 28.52 117.52 -178.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.6 p -89.26 158.25 17.91 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 118.29 -2.888 . . . . 31.95 114.189 -179.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 16.0 tp -76.22 131.13 39.13 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 119.387 -2.07 . . . . 25.22 109.081 178.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.9 mtm -122.16 154.51 37.34 Favored 'General case' 0 C--O 1.248 0.979 0 CA-C-N 112.835 -1.984 . . . . 60.01 114.189 174.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 56.1 mt -81.51 125.76 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 120.329 -1.482 . . . . 25.1 109.456 166.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -74.28 -76.47 0.13 Allowed 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 104.306 -2.479 . . . . 47.6 104.306 175.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.3 ptp85 -145.5 149.73 35.17 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 120.614 -1.304 . . . . 42.18 109.207 162.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.87 107.15 0.93 Allowed 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 120.443 1.474 . . . . 32.9 114.597 -179.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.0 mtt85 -102.67 116.35 32.4 Favored 'General case' 0 CA--C 1.512 -0.483 0 O-C-N 120.753 -1.217 . . . . 34.87 108.99 177.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.5 mt -104.62 150.76 24.39 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 119.805 -1.809 . . . . 28.04 115.587 -174.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.7 m -130.92 140.59 39.15 Favored Pre-proline 0 CA--C 1.512 -0.491 0 CA-C-N 112.108 -2.314 . . . . 30.72 106.818 176.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -55.82 137.85 79.89 Favored 'Trans proline' 0 N--CA 1.444 -1.434 0 O-C-N 118.295 -1.476 . . . . 33.3 113.355 175.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.105 0 O-C-N 128.198 3.436 . . . . 47.93 115.047 168.453 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_