data_1ail_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 1ail _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 . . . . . . . . . . . . . 33.6 ttm . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 118.841 -0.599 . . . . 43.32 110.749 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -73.36 152.86 40.73 Favored 'General case' 0 C--O 1.244 0.767 0 CA-C-O 122.354 1.073 . . . . 38.61 110.335 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t -55.06 -43.07 73.51 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 115.169 -0.923 . . . . 28.37 111.932 176.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -66.72 -27.39 67.59 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 114.276 1.214 . . . . 26.66 114.276 -177.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.2 m -68.09 -38.19 82.04 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 106.899 -1.519 . . . . 14.46 106.899 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.4 t -66.79 -48.06 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 CA-C-O 118.062 -0.97 . . . . 12.65 110.703 178.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.2 p -68.27 -32.3 72.36 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 117.019 -1.873 . . . . 15.22 109.622 -176.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.1 m -63.87 -42.26 97.55 Favored 'General case' 0 C--O 1.252 1.207 0 C-N-CA 118.358 -1.337 . . . . 10.16 110.553 179.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -65.67 -42.52 91.19 Favored 'General case' 0 C--O 1.258 1.533 0 CA-C-N 116.129 -0.487 . . . . 14.96 109.999 179.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -60.32 -46.04 91.3 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.301 -0.874 . . . . 13.69 111.439 -178.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.4 t -60.61 -49.96 82.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 114.126 -1.397 . . . . 10.14 108.469 -179.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -61.28 -34.98 76.08 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 118.836 -2.415 . . . . 9.67 111.126 -177.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.8 m -65.6 -44.92 85.09 Favored 'General case' 0 C--O 1.246 0.918 0 O-C-N 120.53 -1.356 . . . . 12.68 109.566 176.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -68.72 -42.97 76.94 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 116.783 -1.967 . . . . 14.08 110.147 -178.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.6 mt -62.93 -35.15 79.16 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 116.248 -2.181 . . . . 12.89 112.692 179.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -58.94 -43.51 91.24 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 119.452 -0.899 . . . . 14.31 110.787 173.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -59.63 -40.48 87.74 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 118.684 -2.51 . . . . 21.79 110.213 177.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 82.8 t -64.08 -43.22 97.44 Favored 'Isoleucine or valine' 0 C--O 1.256 1.43 0 C-N-CA 118.14 -1.424 . . . . 13.28 110.485 178.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -62.66 -38.23 89.53 Favored 'General case' 0 C--N 1.362 1.126 0 CA-C-O 125.065 2.364 . . . . 15.87 111.216 -178.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -60.85 -40.51 93.14 Favored 'General case' 0 C--O 1.262 1.713 0 O-C-N 117.793 -3.067 . . . . 26.07 111.456 176.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -65.57 -35.26 80.31 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-O 118.583 -0.723 . . . . 25.1 111.58 175.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.0 t -62.65 -45.57 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 107.184 -1.413 . . . . 13.38 107.184 178.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.87 -39.63 85.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 O-C-N 120.925 -1.109 . . . . 16.01 111.716 177.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -67.72 -21.09 65.32 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 121.979 2.172 . . . . 23.49 110.806 178.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -88.69 6.02 40.49 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.929 -1.732 . . . . 35.18 111.545 176.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 62.13 38.39 13.79 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 125.192 1.397 . . . . 14.92 111.229 178.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.0 mt -108.44 0.55 21.09 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 118.495 -0.764 . . . . 18.97 112.447 179.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.71 145.83 17.89 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 120.187 -1.006 . . . . 14.86 113.113 -177.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -93.48 -177.81 4.53 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 119.322 -0.951 . . . . 13.27 108.999 176.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.67 -48.87 92.04 Favored Pre-proline 0 C--O 1.254 1.338 0 O-C-N 119.939 -1.726 . . . . 11.57 114.128 -175.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -65.23 -30.97 54.37 Favored 'Trans proline' 0 C--N 1.327 -0.604 0 C-N-CA 122.136 1.891 . . . . 14.7 110.705 179.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -66.01 -40.33 91.02 Favored 'General case' 0 C--O 1.251 1.174 0 CA-C-O 123.371 1.558 . . . . 11.25 110.122 175.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.77 -41.9 91.5 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 121.028 -1.045 . . . . 24.11 111.31 177.401 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -60.73 -41.89 96.24 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 113.184 0.809 . . . . 29.33 113.184 177.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 95.1 mtm-85 -64.05 -37.44 87.44 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.863 -1.148 . . . . 12.66 110.18 175.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.4 tp -62.0 -45.42 93.71 Favored 'General case' 0 C--O 1.25 1.126 0 CA-C-O 122.527 1.156 . . . . 12.97 110.566 178.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.6 mtm-85 -64.67 -46.6 81.75 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 120.986 -1.071 . . . . 39.46 112.034 179.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -61.36 -46.05 91.83 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 121.074 -1.016 . . . . 38.39 111.152 -179.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -66.02 -31.64 72.66 Favored 'General case' 0 C--O 1.259 1.558 0 CA-C-N 115.669 -0.696 . . . . 15.49 112.429 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -63.8 -42.9 97.62 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 118.072 -1.451 . . . . 27.07 107.648 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -62.22 -41.98 98.88 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 124.061 1.886 . . . . 31.53 111.65 -179.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -64.47 -40.69 96.18 Favored 'General case' 0 C--O 1.245 0.833 0 O-C-N 119.826 -1.796 . . . . 27.72 112.596 -179.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.8 mt -67.44 -41.18 85.18 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 113.986 -1.461 . . . . 19.89 110.533 -178.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -63.53 -39.49 94.56 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.514 -0.741 . . . . 31.91 111.018 178.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.93 -40.86 95.55 Favored Glycine 0 C--O 1.244 0.766 0 CA-C-O 118.658 -1.079 . . . . 15.1 111.743 176.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -67.49 -37.3 82.66 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 119.281 1.54 . . . . 14.15 109.919 179.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.86 -42.07 95.2 Favored Glycine 0 CA--C 1.546 2.014 0 N-CA-C 109.57 -1.412 . . . . 16.71 109.57 179.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -48.79 77.89 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 122.883 0.473 . . . . 30.94 112.021 177.463 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 96.1 m -59.17 -46.35 88.63 Favored 'General case' 0 C--O 1.247 0.965 0 C-N-CA 125.904 1.681 . . . . 22.87 112.035 178.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.0 mt -77.77 -20.26 53.65 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 120.641 -1.287 . . . . 22.39 113.468 -179.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.06 29.62 62.39 Favored Glycine 0 CA--C 1.545 1.924 0 O-C-N 118.572 -2.58 . . . . 20.69 111.384 -174.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.0 mt -101.36 132.31 46.99 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 118.089 0.944 . . . . 22.11 111.634 -179.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -70.58 127.62 33.33 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 116.076 -1.916 . . . . 31.81 108.92 -179.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.2 mt -69.33 -36.26 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 C-N-CA 115.831 -2.348 . . . . 21.67 112.601 -172.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -66.4 -37.5 85.37 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.184 -1.573 . . . . 31.32 112.821 -178.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.01 -46.41 84.61 Favored 'General case' 0 N--CA 1.435 -1.189 0 C-N-CA 123.557 0.743 . . . . 15.27 110.88 176.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.73 98.2 Favored 'General case' 0 C--O 1.213 -0.819 0 O-C-N 124.644 1.215 . . . . 13.46 109.113 -179.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 93.6 m -58.33 -43.81 88.4 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 126.018 2.818 . . . . 14.29 110.737 -179.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -66.41 -38.05 86.6 Favored 'General case' 0 N--CA 1.44 -0.944 1 O-C-N 115.976 -4.203 . . . . 36.2 111.382 179.357 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.5 t -70.23 -37.79 72.5 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 CA-C-N 120.068 1.303 . . . . 16.31 108.192 176.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.57 -40.3 94.38 Favored Glycine 0 N--CA 1.482 1.713 0 C-N-CA 116.626 -2.702 . . . . 12.97 113.189 178.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -55.08 -47.22 75.2 Favored 'General case' 0 CA--C 1.512 -0.511 0 O-C-N 121.285 -1.127 . . . . 29.03 111.563 174.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -61.21 -40.9 95.68 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 123.029 1.395 . . . . 33.74 113.132 177.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.0 mt -61.73 -45.45 98.66 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 O-C-N 118.651 -2.531 . . . . 19.35 109.307 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 51.9 t -70.79 -37.13 67.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 C-N-CA 119.468 -0.893 . . . . 18.43 111.53 -176.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -60.88 -40.68 93.93 Favored 'General case' 0 C--O 1.257 1.497 0 C-N-CA 119.363 -0.935 . . . . 28.29 110.577 175.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -58.37 -40.58 82.67 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 120.935 -1.103 . . . . 39.62 111.032 176.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.5 mt -72.08 -40.17 66.59 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 N-CA-C 113.344 0.868 . . . . 34.27 113.344 -179.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.9 mt -68.31 -9.17 45.85 Favored 'General case' 0 C--N 1.313 -1.013 0 O-C-N 118.759 -2.463 . . . . 38.84 113.959 178.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp . . . . . 0 C--N 1.324 -0.503 0 O-C-N 120.126 -1.609 . . . . 45.94 113.978 179.631 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 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 ' 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 build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.6 ttm . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 118.841 -0.599 . . . . 43.32 110.749 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -73.36 152.86 40.73 Favored 'General case' 0 C--O 1.244 0.767 0 CA-C-O 122.354 1.073 . . . . 38.61 110.335 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t -55.06 -43.07 73.51 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 115.169 -0.923 . . . . 28.37 111.932 176.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -66.72 -27.39 67.59 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 114.276 1.214 . . . . 26.66 114.276 -177.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.2 m -68.09 -38.19 82.04 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 106.899 -1.519 . . . . 14.46 106.899 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.4 t -66.79 -48.06 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 CA-C-O 118.062 -0.97 . . . . 12.65 110.703 178.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.2 p -68.27 -32.3 72.36 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 117.019 -1.873 . . . . 15.22 109.622 -176.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.1 m -63.87 -42.26 97.55 Favored 'General case' 0 C--O 1.252 1.207 0 C-N-CA 118.358 -1.337 . . . . 10.16 110.553 179.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -65.67 -42.52 91.19 Favored 'General case' 0 C--O 1.258 1.533 0 CA-C-N 116.129 -0.487 . . . . 14.96 109.999 179.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -60.32 -46.04 91.3 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.301 -0.874 . . . . 13.69 111.439 -178.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.4 t -60.61 -49.96 82.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 114.126 -1.397 . . . . 10.14 108.469 -179.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -61.28 -34.98 76.08 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 118.836 -2.415 . . . . 9.67 111.126 -177.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.8 m -65.6 -44.92 85.09 Favored 'General case' 0 C--O 1.246 0.918 0 O-C-N 120.53 -1.356 . . . . 12.68 109.566 176.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -68.72 -42.97 76.94 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 116.783 -1.967 . . . . 14.08 110.147 -178.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.6 mt -62.93 -35.15 79.16 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 116.248 -2.181 . . . . 12.89 112.692 179.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -58.94 -43.51 91.24 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 119.452 -0.899 . . . . 14.31 110.787 173.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -59.63 -40.48 87.74 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 118.684 -2.51 . . . . 21.79 110.213 177.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 82.8 t -64.08 -43.22 97.44 Favored 'Isoleucine or valine' 0 C--O 1.256 1.43 0 C-N-CA 118.14 -1.424 . . . . 13.28 110.485 178.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -62.66 -38.23 89.53 Favored 'General case' 0 C--N 1.362 1.126 0 CA-C-O 125.065 2.364 . . . . 15.87 111.216 -178.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -60.85 -40.51 93.14 Favored 'General case' 0 C--O 1.262 1.713 0 O-C-N 117.793 -3.067 . . . . 26.07 111.456 176.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -65.57 -35.26 80.31 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-O 118.583 -0.723 . . . . 25.1 111.58 175.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.0 t -62.65 -45.57 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 107.184 -1.413 . . . . 13.38 107.184 178.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.87 -39.63 85.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 O-C-N 120.925 -1.109 . . . . 16.01 111.716 177.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -67.72 -21.09 65.32 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 121.979 2.172 . . . . 23.49 110.806 178.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -88.69 6.02 40.49 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.929 -1.732 . . . . 35.18 111.545 176.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 62.13 38.39 13.79 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 125.192 1.397 . . . . 14.92 111.229 178.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.0 mt -108.44 0.55 21.09 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 118.495 -0.764 . . . . 18.97 112.447 179.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.71 145.83 17.89 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 120.187 -1.006 . . . . 14.86 113.113 -177.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -93.48 -177.81 4.53 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 119.322 -0.951 . . . . 13.27 108.999 176.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . 0.401 ' HB3' ' HD3' ' A' ' 31' ' ' PRO . . . -60.67 -48.87 92.04 Favored Pre-proline 0 C--O 1.254 1.338 0 O-C-N 119.939 -1.726 . . . . 11.57 114.128 -175.06 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' PRO . . . . . 0.401 ' HD3' ' HB3' ' A' ' 30' ' ' ALA . 32.1 Cg_exo -65.23 -30.97 54.37 Favored 'Trans proline' 0 C--N 1.327 -0.604 0 C-N-CA 122.136 1.891 . . . . 14.7 110.705 179.692 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -66.01 -40.33 91.02 Favored 'General case' 0 C--O 1.251 1.174 0 CA-C-O 123.371 1.558 . . . . 11.25 110.122 175.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.77 -41.9 91.5 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 121.028 -1.045 . . . . 24.11 111.31 177.401 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -60.73 -41.89 96.24 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 113.184 0.809 . . . . 29.33 113.184 177.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 95.1 mtm-85 -64.05 -37.44 87.44 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.863 -1.148 . . . . 12.66 110.18 175.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.4 tp -62.0 -45.42 93.71 Favored 'General case' 0 C--O 1.25 1.126 0 CA-C-O 122.527 1.156 . . . . 12.97 110.566 178.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 37' ' ' ARG . 31.6 mtm-85 -64.67 -46.6 81.75 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 120.986 -1.071 . . . . 39.46 112.034 179.672 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -61.36 -46.05 91.83 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 121.074 -1.016 . . . . 38.39 111.152 -179.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -66.02 -31.64 72.66 Favored 'General case' 0 C--O 1.259 1.558 0 CA-C-N 115.669 -0.696 . . . . 15.49 112.429 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -63.8 -42.9 97.62 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 118.072 -1.451 . . . . 27.07 107.648 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -62.22 -41.98 98.88 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 124.061 1.886 . . . . 31.53 111.65 -179.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -64.47 -40.69 96.18 Favored 'General case' 0 C--O 1.245 0.833 0 O-C-N 119.826 -1.796 . . . . 27.72 112.596 -179.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.8 mt -67.44 -41.18 85.18 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 113.986 -1.461 . . . . 19.89 110.533 -178.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -63.53 -39.49 94.56 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.514 -0.741 . . . . 31.91 111.018 178.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.93 -40.86 95.55 Favored Glycine 0 C--O 1.244 0.766 0 CA-C-O 118.658 -1.079 . . . . 15.1 111.743 176.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -67.49 -37.3 82.66 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 119.281 1.54 . . . . 14.15 109.919 179.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.86 -42.07 95.2 Favored Glycine 0 CA--C 1.546 2.014 0 N-CA-C 109.57 -1.412 . . . . 16.71 109.57 179.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -48.79 77.89 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 122.883 0.473 . . . . 30.94 112.021 177.463 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 96.1 m -59.17 -46.35 88.63 Favored 'General case' 0 C--O 1.247 0.965 0 C-N-CA 125.904 1.681 . . . . 22.87 112.035 178.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.0 mt -77.77 -20.26 53.65 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 120.641 -1.287 . . . . 22.39 113.468 -179.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.06 29.62 62.39 Favored Glycine 0 CA--C 1.545 1.924 0 O-C-N 118.572 -2.58 . . . . 20.69 111.384 -174.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.0 mt -101.36 132.31 46.99 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 118.089 0.944 . . . . 22.11 111.634 -179.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -70.58 127.62 33.33 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 116.076 -1.916 . . . . 31.81 108.92 -179.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.2 mt -69.33 -36.26 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 C-N-CA 115.831 -2.348 . . . . 21.67 112.601 -172.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -66.4 -37.5 85.37 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.184 -1.573 . . . . 31.32 112.821 -178.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.01 -46.41 84.61 Favored 'General case' 0 N--CA 1.435 -1.189 0 C-N-CA 123.557 0.743 . . . . 15.27 110.88 176.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.73 98.2 Favored 'General case' 0 C--O 1.213 -0.819 0 O-C-N 124.644 1.215 . . . . 13.46 109.113 -179.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 93.6 m -58.33 -43.81 88.4 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 126.018 2.818 . . . . 14.29 110.737 -179.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -66.41 -38.05 86.6 Favored 'General case' 0 N--CA 1.44 -0.944 1 O-C-N 115.976 -4.203 . . . . 36.2 111.382 179.357 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.5 t -70.23 -37.79 72.5 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 CA-C-N 120.068 1.303 . . . . 16.31 108.192 176.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.57 -40.3 94.38 Favored Glycine 0 N--CA 1.482 1.713 0 C-N-CA 116.626 -2.702 . . . . 12.97 113.189 178.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -55.08 -47.22 75.2 Favored 'General case' 0 CA--C 1.512 -0.511 0 O-C-N 121.285 -1.127 . . . . 29.03 111.563 174.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -61.21 -40.9 95.68 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 123.029 1.395 . . . . 33.74 113.132 177.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.0 mt -61.73 -45.45 98.66 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 O-C-N 118.651 -2.531 . . . . 19.35 109.307 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 51.9 t -70.79 -37.13 67.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 C-N-CA 119.468 -0.893 . . . . 18.43 111.53 -176.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -60.88 -40.68 93.93 Favored 'General case' 0 C--O 1.257 1.497 0 C-N-CA 119.363 -0.935 . . . . 28.29 110.577 175.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -58.37 -40.58 82.67 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 120.935 -1.103 . . . . 39.62 111.032 176.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.5 mt -72.08 -40.17 66.59 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 N-CA-C 113.344 0.868 . . . . 34.27 113.344 -179.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.9 mt -68.31 -9.17 45.85 Favored 'General case' 0 C--N 1.313 -1.013 0 O-C-N 118.759 -2.463 . . . . 38.84 113.959 178.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp . . . . . 0 C--N 1.324 -0.503 0 O-C-N 120.126 -1.609 . . . . 45.94 113.978 179.631 . . . . . . . . 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 nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.6 ttm . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 118.841 -0.599 . . . . 43.32 110.749 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -73.36 152.86 40.73 Favored 'General case' 0 C--O 1.244 0.767 0 CA-C-O 122.354 1.073 . . . . 38.61 110.335 179.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t -55.06 -43.07 73.51 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 115.169 -0.923 . . . . 28.37 111.932 176.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -66.72 -27.39 67.59 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 114.276 1.214 . . . . 26.66 114.276 -177.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.2 m -68.09 -38.19 82.04 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 106.899 -1.519 . . . . 14.46 106.899 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.4 t -66.79 -48.06 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 CA-C-O 118.062 -0.97 . . . . 12.65 110.703 178.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.2 p -68.27 -32.3 72.36 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 117.019 -1.873 . . . . 15.22 109.622 -176.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.1 m -63.87 -42.26 97.55 Favored 'General case' 0 C--O 1.252 1.207 0 C-N-CA 118.358 -1.337 . . . . 10.16 110.553 179.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -65.67 -42.52 91.19 Favored 'General case' 0 C--O 1.258 1.533 0 CA-C-N 116.129 -0.487 . . . . 14.96 109.999 179.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -60.32 -46.04 91.3 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.301 -0.874 . . . . 13.69 111.439 -178.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.4 t -60.61 -49.96 82.34 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 114.126 -1.397 . . . . 10.14 108.469 -179.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -61.28 -34.98 76.08 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 118.836 -2.415 . . . . 9.67 111.126 -177.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.8 m -65.6 -44.92 85.09 Favored 'General case' 0 C--O 1.246 0.918 0 O-C-N 120.53 -1.356 . . . . 12.68 109.566 176.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -68.72 -42.97 76.94 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 116.783 -1.967 . . . . 14.08 110.147 -178.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.6 mt -62.93 -35.15 79.16 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 116.248 -2.181 . . . . 12.89 112.692 179.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -58.94 -43.51 91.24 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 119.452 -0.899 . . . . 14.31 110.787 173.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -59.63 -40.48 87.74 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 118.684 -2.51 . . . . 21.79 110.213 177.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 82.8 t -64.08 -43.22 97.44 Favored 'Isoleucine or valine' 0 C--O 1.256 1.43 0 C-N-CA 118.14 -1.424 . . . . 13.28 110.485 178.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -62.66 -38.23 89.53 Favored 'General case' 0 C--N 1.362 1.126 0 CA-C-O 125.065 2.364 . . . . 15.87 111.216 -178.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -60.85 -40.51 93.14 Favored 'General case' 0 C--O 1.262 1.713 0 O-C-N 117.793 -3.067 . . . . 26.07 111.456 176.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -65.57 -35.26 80.31 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-O 118.583 -0.723 . . . . 25.1 111.58 175.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.0 t -62.65 -45.57 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 107.184 -1.413 . . . . 13.38 107.184 178.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.87 -39.63 85.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 O-C-N 120.925 -1.109 . . . . 16.01 111.716 177.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -67.72 -21.09 65.32 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 121.979 2.172 . . . . 23.49 110.806 178.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -88.69 6.02 40.49 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.929 -1.732 . . . . 35.18 111.545 176.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 62.13 38.39 13.79 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 125.192 1.397 . . . . 14.92 111.229 178.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.0 mt -108.44 0.55 21.09 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 118.495 -0.764 . . . . 18.97 112.447 179.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.71 145.83 17.89 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 120.187 -1.006 . . . . 14.86 113.113 -177.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.4 p30 -93.48 -177.81 4.53 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 119.322 -0.951 . . . . 13.27 108.999 176.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.401 ' HB3' ' HD3' ' A' ' 31' ' ' PRO . . . -60.67 -48.87 92.04 Favored Pre-proline 0 C--O 1.254 1.338 0 O-C-N 119.939 -1.726 . . . . 11.57 114.128 -175.06 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.401 ' HD3' ' HB3' ' A' ' 30' ' ' ALA . 32.1 Cg_exo -65.23 -30.97 54.37 Favored 'Trans proline' 0 C--N 1.327 -0.604 0 C-N-CA 122.136 1.891 . . . . 14.7 110.705 179.692 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -66.01 -40.33 91.02 Favored 'General case' 0 C--O 1.251 1.174 0 CA-C-O 123.371 1.558 . . . . 11.25 110.122 175.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.77 -41.9 91.5 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 121.028 -1.045 . . . . 24.11 111.31 177.401 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -60.73 -41.89 96.24 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 113.184 0.809 . . . . 29.33 113.184 177.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 95.1 mtm-85 -64.05 -37.44 87.44 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.863 -1.148 . . . . 12.66 110.18 175.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.4 tp -62.0 -45.42 93.71 Favored 'General case' 0 C--O 1.25 1.126 0 CA-C-O 122.527 1.156 . . . . 12.97 110.566 178.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 37' ' ' ARG . 31.6 mtm-85 -64.67 -46.6 81.75 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 120.986 -1.071 . . . . 39.46 112.034 179.672 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -61.36 -46.05 91.83 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 121.074 -1.016 . . . . 38.39 111.152 -179.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -66.02 -31.64 72.66 Favored 'General case' 0 C--O 1.259 1.558 0 CA-C-N 115.669 -0.696 . . . . 15.49 112.429 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -63.8 -42.9 97.62 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 118.072 -1.451 . . . . 27.07 107.648 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.0 mmtm -62.22 -41.98 98.88 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 124.061 1.886 . . . . 31.53 111.65 -179.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.6 t -64.47 -40.69 96.18 Favored 'General case' 0 C--O 1.245 0.833 0 O-C-N 119.826 -1.796 . . . . 27.72 112.596 -179.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.8 mt -67.44 -41.18 85.18 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 113.986 -1.461 . . . . 19.89 110.533 -178.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -63.53 -39.49 94.56 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.514 -0.741 . . . . 31.91 111.018 178.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.93 -40.86 95.55 Favored Glycine 0 C--O 1.244 0.766 0 CA-C-O 118.658 -1.079 . . . . 15.1 111.743 176.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -67.49 -37.3 82.66 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 119.281 1.54 . . . . 14.15 109.919 179.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.86 -42.07 95.2 Favored Glycine 0 CA--C 1.546 2.014 0 N-CA-C 109.57 -1.412 . . . . 16.71 109.57 179.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -48.79 77.89 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 122.883 0.473 . . . . 30.94 112.021 177.463 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 96.1 m -59.17 -46.35 88.63 Favored 'General case' 0 C--O 1.247 0.965 0 C-N-CA 125.904 1.681 . . . . 22.87 112.035 178.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.0 mt -77.77 -20.26 53.65 Favored 'General case' 0 C--O 1.239 0.537 0 O-C-N 120.641 -1.287 . . . . 22.39 113.468 -179.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.06 29.62 62.39 Favored Glycine 0 CA--C 1.545 1.924 0 O-C-N 118.572 -2.58 . . . . 20.69 111.384 -174.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.0 mt -101.36 132.31 46.99 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 118.089 0.944 . . . . 22.11 111.634 -179.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -70.58 127.62 33.33 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 116.076 -1.916 . . . . 31.81 108.92 -179.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.2 mt -69.33 -36.26 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 C-N-CA 115.831 -2.348 . . . . 21.67 112.601 -172.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -66.4 -37.5 85.37 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.184 -1.573 . . . . 31.32 112.821 -178.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.01 -46.41 84.61 Favored 'General case' 0 N--CA 1.435 -1.189 0 C-N-CA 123.557 0.743 . . . . 15.27 110.88 176.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.77 -40.73 98.2 Favored 'General case' 0 C--O 1.213 -0.819 0 O-C-N 124.644 1.215 . . . . 13.46 109.113 -179.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 93.6 m -58.33 -43.81 88.4 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-O 126.018 2.818 . . . . 14.29 110.737 -179.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -66.41 -38.05 86.6 Favored 'General case' 0 N--CA 1.44 -0.944 1 O-C-N 115.976 -4.203 . . . . 36.2 111.382 179.357 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 76.5 t -70.23 -37.79 72.5 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 CA-C-N 120.068 1.303 . . . . 16.31 108.192 176.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.57 -40.3 94.38 Favored Glycine 0 N--CA 1.482 1.713 0 C-N-CA 116.626 -2.702 . . . . 12.97 113.189 178.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -55.08 -47.22 75.2 Favored 'General case' 0 CA--C 1.512 -0.511 0 O-C-N 121.285 -1.127 . . . . 29.03 111.563 174.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -61.21 -40.9 95.68 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 123.029 1.395 . . . . 33.74 113.132 177.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.0 mt -61.73 -45.45 98.66 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 O-C-N 118.651 -2.531 . . . . 19.35 109.307 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 51.9 t -70.79 -37.13 67.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 C-N-CA 119.468 -0.893 . . . . 18.43 111.53 -176.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -60.88 -40.68 93.93 Favored 'General case' 0 C--O 1.257 1.497 0 C-N-CA 119.363 -0.935 . . . . 28.29 110.577 175.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -58.37 -40.58 82.67 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 120.935 -1.103 . . . . 39.62 111.032 176.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.5 mt -72.08 -40.17 66.59 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 N-CA-C 113.344 0.868 . . . . 34.27 113.344 -179.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.9 mt -68.31 -9.17 45.85 Favored 'General case' 0 C--N 1.313 -1.013 0 O-C-N 118.759 -2.463 . . . . 38.84 113.959 178.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp . . . . . 0 C--N 1.324 -0.503 0 O-C-N 120.126 -1.609 . . . . 45.94 113.978 179.631 . . . . . . . . 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 stop_ save_