data_6ebb_residue ############################ # Computer software used # ############################ 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 6ebb _Structure_validation_residue.Date_analyzed 2019-08-09 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 ' 2' ' ' LYS . . . . . . . . . . . . . 1.6 mptt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 117.973 -1.013 . . . . 63.73 109.054 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . 0.551 ' N ' ' OD1' ' A' ' 47' ' ' ASP . 23.6 ttmt -102.4 128.38 49.02 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 124.631 1.207 . . . . 54.49 112.51 -176.49 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 mt -112.89 125.53 70.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 O-C-N 124.848 1.342 . . . . 49.01 108.312 178.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . 0.495 ' CB ' ' CG ' ' A' ' 46' ' ' PRO . 5.3 tp -97.03 111.09 23.48 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 105.41 -2.07 . . . . 44.85 105.41 172.773 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 46.7 mt -91.26 93.75 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 124.708 1.255 . . . . 49.12 108.814 178.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.6 t -80.8 101.31 5.65 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.703 0 N-CA-C 105.526 -2.027 . . . . 38.97 105.526 176.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.76 133.46 23.73 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.9 -1.889 . . . . 57.54 105.9 -178.008 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.3 p-10 -92.0 8.79 36.03 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 125.208 1.567 . . . . 58.28 108.641 178.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -118.97 110.73 17.47 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 125.608 1.817 . . . . 78.66 106.979 177.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 15.1 tttp -64.67 -41.8 59.86 Favored Pre-proline 0 C--O 1.196 -1.753 0 CA-C-O 117.415 -1.278 . . . . 66.31 111.593 -177.337 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 90.5 Cg_exo -54.47 -47.33 27.46 Favored 'Trans proline' 0 C--O 1.19 -1.922 0 CA-C-N 121.754 1.662 . . . . 57.58 112.16 -179.829 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.7 mm -66.77 -36.37 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 N-CA-C 108.183 -1.043 . . . . 58.01 108.183 -179.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.0 t -63.94 -38.04 89.63 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 124.931 1.395 . . . . 53.31 109.908 -178.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -71.18 -40.15 71.41 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 124.66 1.225 . . . . 55.64 109.379 -179.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.7 mt -62.21 -53.39 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 N-CA-C 107.923 -1.14 . . . . 57.22 107.923 179.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 87.1 mt -61.43 -44.72 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 N-CA-C 107.289 -1.375 . . . . 56.31 107.289 -179.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -55.72 -46.97 77.64 Favored 'General case' 0 C--O 1.192 -1.93 0 O-C-N 124.596 1.185 . . . . 69.7 110.366 179.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -64.15 -54.39 34.52 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 118.665 -0.683 . . . . 68.62 111.735 -176.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -59.58 -47.62 84.85 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 124.324 1.015 . . . . 60.66 110.307 -177.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' MET . . . . . 0.401 ' O ' ' N ' ' A' ' 26' ' ' TYR . 23.8 mmt -65.75 -31.72 72.86 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 124.472 1.108 . . . . 57.55 109.578 -179.217 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.8 m -71.78 -41.51 68.26 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 123.993 0.808 . . . . 44.34 109.155 179.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -27.68 69.49 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 124.145 0.903 . . . . 81.58 109.193 178.333 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -84.39 -13.6 51.77 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 124.972 1.42 . . . . 64.95 109.058 179.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.71 13.41 25.88 Favored Glycine 0 C--O 1.214 -1.144 0 CA-C-O 117.598 -1.668 . . . . 45.55 114.38 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' TYR . . . . . 0.401 ' N ' ' O ' ' A' ' 21' ' ' MET . 47.5 m-85 -91.93 147.24 23.11 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.435 1.617 . . . . 41.29 109.985 179.809 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -86.4 138.75 31.54 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 106.053 -1.832 . . . . 54.5 106.053 172.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.6 t -120.01 131.21 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 O-C-N 124.396 1.06 . . . . 42.5 112.464 -176.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.1 m -118.69 145.48 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 106.408 -1.701 . . . . 40.2 106.408 171.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 82.5 p -121.98 151.7 40.5 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 124.228 0.955 . . . . 45.69 111.989 -174.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -137.27 142.59 41.97 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 105.859 -1.904 . . . . 45.21 105.859 176.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -117.02 0.81 12.49 Favored 'General case' 0 C--O 1.209 -1.04 0 C-N-CA 118.989 -1.084 . . . . 62.71 111.832 -175.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ASN . . . . . 0.597 ' OD1' ' N ' ' A' ' 36' ' ' GLU . 28.8 p30 -153.01 172.84 16.22 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 119.388 -0.925 . . . . 56.98 108.645 176.025 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.09 -35.32 91.31 Favored Glycine 0 C--O 1.203 -1.803 0 O-C-N 125.558 1.787 . . . . 42.02 109.708 -179.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -65.98 -52.19 51.72 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.39 -0.967 . . . . 78.32 108.39 179.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLU . . . . . 0.642 ' O ' ' N ' ' A' ' 40' ' ' GLN . 59.5 mt-10 -63.28 -46.94 84.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 124.747 1.279 . . . . 50.81 109.889 178.644 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.21 -52.07 22.6 Favored 'General case' 0 C--O 1.198 -1.608 0 O-C-N 124.83 1.331 . . . . 43.37 109.413 178.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 70.2 mt -69.08 -36.51 77.67 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 124.706 1.254 . . . . 50.27 108.302 179.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -66.61 -54.32 24.68 Favored 'General case' 0 C--O 1.2 -1.537 0 CA-C-O 118.271 -0.871 . . . . 47.02 108.772 177.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLN . . . . . 0.642 ' N ' ' O ' ' A' ' 36' ' ' GLU . 75.3 mm-40 -63.27 -39.93 95.96 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-O 118.269 -0.872 . . . . 48.62 110.019 -179.25 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -59.46 -48.2 82.57 Favored 'General case' 0 C--O 1.206 -1.194 0 N-CA-C 108.652 -0.87 . . . . 57.77 108.652 -179.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -67.55 -40.44 84.96 Favored 'General case' 0 C--O 1.204 -1.306 0 CA-C-O 117.693 -1.146 . . . . 75.59 109.129 -179.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.62 -39.14 46.34 Favored 'General case' 0 C--O 1.204 -1.306 0 O-C-N 124.753 1.283 . . . . 45.2 113.723 -173.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -102.83 -18.96 14.87 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-O 116.215 -1.85 . . . . 47.62 113.502 -173.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 45.47 70.19 2.14 Favored Pre-proline 0 N--CA 1.482 1.172 0 O-C-N 125.458 1.724 . . . . 70.67 109.773 -178.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' PRO . . . . . 0.495 ' CG ' ' CB ' ' A' ' 5' ' ' LEU . 31.8 Cg_endo -71.88 156.74 56.23 Favored 'Trans proline' 0 C--O 1.191 -1.861 0 CA-C-N 119.932 1.011 . . . . 38.89 110.041 -179.41 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . 0.551 ' OD1' ' N ' ' A' ' 3' ' ' LYS . 34.0 m-20 -71.86 -29.41 64.36 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 125.2 1.562 . . . . 47.22 108.219 179.222 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.8 tt -147.73 145.25 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 N-CA-C 106.85 -1.537 . . . . 45.11 106.85 179.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.3 mt -114.02 131.58 65.54 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.395 0 O-C-N 125.11 1.507 . . . . 43.0 108.274 177.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 57.9 mt -103.71 103.89 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 N-CA-C 104.013 -2.588 . . . . 46.18 104.013 174.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.8 tp -91.46 116.27 28.71 Favored 'General case' 0 C--O 1.201 -1.499 0 O-C-N 124.265 0.978 . . . . 37.55 110.584 -174.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -145.04 80.53 1.62 Allowed 'General case' 0 C--O 1.208 -1.108 0 O-C-N 125.242 1.589 . . . . 74.49 109.29 -178.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.7 mt -108.64 158.6 17.45 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 118.308 -0.853 . . . . 82.97 109.662 179.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . . . -53.17 -37.61 62.04 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 117.789 -1.1 . . . . 90.24 111.715 179.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . 0.681 ' CD1' ' OD2' ' A' ' 59' ' ' ASP . 93.4 mt -105.45 85.38 1.38 Allowed Pre-proline 0 N--CA 1.486 1.354 0 O-C-N 125.43 1.706 . . . . 86.34 106.895 175.916 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -61.83 -47.48 10.82 Favored 'Trans proline' 0 C--O 1.198 -1.485 0 CA-C-N 120.834 1.333 . . . . 77.96 112.136 -174.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . . . -81.43 -46.5 14.49 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 124.767 1.292 . . . . 81.76 112.606 -177.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 67.6 mt -71.81 -59.08 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 124.293 0.996 . . . . 75.76 110.5 -178.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASP . . . . . 0.681 ' OD2' ' CD1' ' A' ' 55' ' ' LEU . 93.0 m-20 -77.14 -62.33 1.69 Allowed 'General case' 0 N--CA 1.487 1.422 0 O-C-N 124.618 1.199 . . . . 81.43 110.402 -179.023 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 64' ' ' ALA . . . -53.83 -36.7 55.89 Favored Glycine 0 N--CA 1.474 1.18 0 O-C-N 124.748 1.28 . . . . 69.12 110.085 179.127 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -64.77 -45.81 84.77 Favored 'General case' 0 CA--C 1.504 -0.8 0 O-C-N 124.917 1.01 . . . . 52.83 109.261 178.859 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLU . . . . . 0.54 ' O ' ' OG1' ' A' ' 66' ' ' THR . 21.0 tp10 -66.26 -39.32 89.38 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 107.378 -1.342 . . . . 66.64 107.378 178.666 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.42 -49.95 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 N-CA-C 107.855 -1.165 . . . . 45.16 107.855 176.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 60' ' ' GLY . . . -61.2 -48.72 80.21 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 124.138 0.899 . . . . 46.9 109.12 179.307 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LYS . . . . . 0.994 ' NZ ' ' CD2' ' A' ' 93' ' ' LEU . 69.0 mttm -56.25 -47.89 77.63 Favored 'General case' 0 N--CA 1.483 1.192 0 O-C-N 125.023 1.452 . . . . 74.26 107.418 179.358 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' THR . . . . . 0.54 ' OG1' ' O ' ' A' ' 62' ' ' GLU . 4.4 m -66.41 -41.12 89.72 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 117.684 -1.151 . . . . 54.77 110.228 -179.04 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.4 mt -67.44 -46.19 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 124.477 1.111 . . . . 55.88 108.635 179.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.6 mmt-85 -60.31 -24.13 64.75 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 124.517 1.135 . . . . 54.77 110.705 -178.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 51.9 mttt -66.72 -20.81 66.04 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 107.849 -1.167 . . . . 71.6 107.849 -178.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.99 -22.93 2.53 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 124.72 1.263 . . . . 74.69 112.342 -177.069 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.5 t -136.1 148.1 48.11 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 116.309 -2.157 . . . . 61.5 112.809 -175.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.4 p -100.22 14.37 31.12 Favored 'General case' 0 C--O 1.204 -1.304 0 O-C-N 125.598 1.811 . . . . 57.42 108.64 176.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.5 p -49.34 130.2 17.58 Favored Pre-proline 0 N--CA 1.489 1.48 0 O-C-N 124.636 1.21 . . . . 45.28 108.17 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.8 127.49 23.19 Favored 'Trans proline' 0 C--O 1.185 -2.156 0 C-N-CA 121.478 1.452 . . . . 42.74 109.044 179.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.1 mt -114.57 113.77 44.68 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.238 0 N-CA-C 106.098 -1.815 . . . . 35.85 106.098 177.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.7 tt -95.72 97.81 9.99 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 103.727 -2.694 . . . . 45.59 103.727 175.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.5 ttm -67.31 112.63 4.66 Favored 'General case' 0 C--O 1.197 -1.704 0 N-CA-C 107.035 -1.468 . . . . 58.15 107.035 179.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.06 122.83 42.82 Favored 'General case' 0 C--O 1.197 -1.703 0 N-CA-C 102.864 -3.013 . . . . 50.21 102.864 176.806 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.5 t -150.7 151.07 31.88 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 116.393 -2.123 . . . . 46.67 107.591 -178.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.15 -18.03 56.1 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 118.591 -1.244 . . . . 57.41 107.867 176.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LYS . . . . . 0.435 ' O ' ' OH ' ' A' ' 98' ' ' TYR . 2.8 mttp -76.93 118.92 19.99 Favored 'General case' 0 N--CA 1.483 1.195 0 O-C-N 124.882 1.364 . . . . 62.86 109.118 -179.107 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 23.6 p-10 -118.73 18.16 13.42 Favored 'General case' 0 C--O 1.195 -1.784 0 CA-C-O 117.284 -1.341 . . . . 46.76 111.195 -176.278 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.6 p -69.74 156.82 38.41 Favored 'General case' 0 C--O 1.205 -1.265 0 N-CA-C 108.361 -0.978 . . . . 44.59 108.361 179.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 88' ' ' VAL . 74.6 mm-40 -66.19 -36.84 84.13 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.441 1.088 . . . . 68.49 108.258 179.337 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' PHE . . . . . 0.465 ' O ' ' CG2' ' A' ' 89' ' ' ILE . 40.6 t80 -57.61 -51.74 68.28 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 107.864 -1.161 . . . . 58.4 107.864 178.814 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -59.58 -46.18 89.67 Favored 'General case' 0 C--O 1.203 -1.377 0 O-C-N 124.185 0.928 . . . . 46.92 108.696 178.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -63.21 -51.44 66.27 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 124.501 1.125 . . . . 45.54 109.259 -178.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 84' ' ' GLU . 60.5 t -62.51 -52.39 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 124.795 1.309 . . . . 50.03 109.069 -179.417 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ILE . . . . . 0.465 ' CG2' ' O ' ' A' ' 85' ' ' PHE . 4.0 tp -59.17 -42.56 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 CA-C-O 117.866 -1.064 . . . . 55.78 110.104 -178.607 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.7 -44.89 97.38 Favored Glycine 0 C--O 1.206 -1.653 0 C-N-CA 119.705 -1.236 . . . . 38.72 110.194 178.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 45.8 mt -71.26 -41.05 70.58 Favored 'General case' 0 C--O 1.206 -1.198 0 O-C-N 124.956 1.033 . . . . 48.87 109.184 -179.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 88' ' ' VAL . 85.6 mt-10 -64.27 -35.52 81.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 124.204 0.94 . . . . 71.05 109.731 177.992 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LEU . . . . . 0.994 ' CD2' ' NZ ' ' A' ' 65' ' ' LYS . 2.3 mt -74.51 -10.97 60.08 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 116.919 -1.515 . . . . 70.95 110.957 178.926 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 126.54 -9.48 7.29 Favored Glycine 0 N--CA 1.475 1.297 0 CA-C-O 117.625 -1.653 . . . . 63.44 115.252 176.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.79 128.47 36.69 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.276 1.038 . . . . 44.59 109.026 177.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.71 -25.4 44.69 Favored 'General case' 0 C--O 1.196 -1.723 0 O-C-N 124.358 1.036 . . . . 68.48 110.091 -178.445 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -152.17 157.11 41.06 Favored 'General case' 0 C--O 1.201 -1.479 0 N-CA-C 107.519 -1.289 . . . . 38.93 107.519 179.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' TYR . . . . . 0.435 ' OH ' ' O ' ' A' ' 81' ' ' LYS . 7.7 t80 -136.79 109.48 7.51 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 106.664 -1.606 . . . . 52.11 106.664 -178.484 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.9 t -109.8 140.37 29.01 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.349 0 N-CA-C 105.666 -1.976 . . . . 44.25 105.666 179.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 43.5 p -93.86 139.48 30.83 Favored 'General case' 0 C--O 1.206 -1.193 0 O-C-N 124.664 1.227 . . . . 51.87 110.036 -178.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 64.5 mtpt -85.74 132.3 44.7 Favored Pre-proline 0 N--CA 1.481 1.107 0 N-CA-C 103.576 -2.75 . . . . 60.81 103.576 173.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -77.76 140.96 65.15 Favored 'Cis proline' 0 C--O 1.176 -2.62 0 CA-C-N 122.551 1.947 . . . . 66.97 113.012 3.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -110.91 165.16 12.08 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 124.996 1.435 . . . . 59.59 110.683 -178.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.67 129.33 38.63 Favored 'General case' 0 C--O 1.205 -1.282 0 N-CA-C 107.16 -1.422 . . . . 44.88 107.16 176.406 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -58.87 -45.25 90.61 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 124.072 0.857 . . . . 69.81 108.756 -178.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -44.75 96.56 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 124.553 1.158 . . . . 80.55 109.43 -179.815 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLU . . . . . 0.428 ' OE2' ' NE ' ' A' ' 111' ' ' ARG . 34.4 tt0 -67.63 -46.77 71.52 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 124.563 1.164 . . . . 54.93 110.22 -179.81 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 44.0 tp -58.81 -39.86 82.42 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 107.648 -1.241 . . . . 45.06 107.648 177.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -63.07 -42.83 99.76 Favored 'General case' 0 C--O 1.202 -1.397 0 O-C-N 124.835 1.335 . . . . 65.44 107.886 177.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 114' ' ' ALA . . . -70.58 -39.02 74.13 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 124.373 1.046 . . . . 38.49 109.778 -178.944 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' ARG . . . . . 0.428 ' NE ' ' OE2' ' A' ' 107' ' ' GLU . 18.7 mtt-85 -70.39 -42.19 72.02 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 124.295 0.997 . . . . 49.81 109.508 -178.757 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.0 t -59.68 -45.7 94.1 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.562 0 N-CA-C 105.887 -1.894 . . . . 47.45 105.887 175.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 117' ' ' ARG . 3.7 ttpp -61.26 -48.43 81.48 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 124.932 1.395 . . . . 69.7 108.375 177.949 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 110' ' ' ALA . . . -55.87 -52.91 62.4 Favored 'General case' 0 C--O 1.205 -1.263 0 O-C-N 124.294 0.996 . . . . 42.44 109.04 176.979 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' LEU . . . . . 0.726 ' CD2' ' NH1' ' A' ' 118' ' ' ARG . 0.2 OUTLIER -54.6 -50.41 68.12 Favored 'General case' 0 N--CA 1.484 1.25 0 O-C-N 124.209 0.943 . . . . 43.51 109.413 179.677 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 48.2 mt -66.66 -34.34 77.65 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 125.339 1.649 . . . . 54.02 108.885 -178.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 113' ' ' LYS . 11.6 ttp180 -59.4 -32.53 70.25 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 124.465 1.103 . . . . 62.08 109.514 179.21 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ARG . . . . . 0.726 ' NH1' ' CD2' ' A' ' 115' ' ' LEU . 89.9 mtm180 -94.52 19.1 10.2 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 117.966 -1.016 . . . . 76.8 110.284 -179.679 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 73.8 m . . . . . 0 N--CA 1.481 1.122 0 O-C-N 124.545 1.153 . . . . 75.25 109.645 177.611 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LYS . . . . . 0.429 ' HG2' HD13 ' A' ' 116' ' ' LEU . 1.6 mptt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 117.973 -1.013 . . . . 63.73 109.054 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -102.4 128.38 49.02 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 124.631 1.207 . . . . 54.49 112.51 -176.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 mt -112.89 125.53 70.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 O-C-N 124.848 1.342 . . . . 49.01 108.312 178.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . 0.877 ' CB ' ' HG3' ' A' ' 46' ' ' PRO . 5.3 tp -97.03 111.09 23.48 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 105.41 -2.07 . . . . 44.85 105.41 172.773 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . 0.423 ' CD1' HG22 ' A' ' 17' ' ' ILE . 46.7 mt -91.26 93.75 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 124.708 1.255 . . . . 49.12 108.814 178.832 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.6 t -80.8 101.31 5.65 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.703 0 N-CA-C 105.526 -2.027 . . . . 38.97 105.526 176.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' A' ' 52' ' ' ASP . 0.7 OUTLIER -143.76 133.46 23.73 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.9 -1.889 . . . . 57.54 105.9 -178.008 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.3 p-10 -92.0 8.79 36.03 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 125.208 1.567 . . . . 58.28 108.641 178.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -118.97 110.73 17.47 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 125.608 1.817 . . . . 78.66 106.979 177.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 15.1 tttp -64.67 -41.8 59.86 Favored Pre-proline 0 C--O 1.196 -1.753 0 CA-C-O 117.415 -1.278 . . . . 66.31 111.593 -177.337 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 90.5 Cg_exo -54.47 -47.33 27.46 Favored 'Trans proline' 0 C--O 1.19 -1.922 0 CA-C-N 121.754 1.662 . . . . 57.58 112.16 -179.829 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.7 mm -66.77 -36.37 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 N-CA-C 108.183 -1.043 . . . . 58.01 108.183 -179.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.0 t -63.94 -38.04 89.63 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 124.931 1.395 . . . . 53.31 109.908 -178.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -71.18 -40.15 71.41 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 124.66 1.225 . . . . 55.64 109.379 -179.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.7 mt -62.21 -53.39 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 N-CA-C 107.923 -1.14 . . . . 57.22 107.923 179.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ILE . . . . . 0.423 HG22 ' CD1' ' A' ' 6' ' ' ILE . 87.1 mt -61.43 -44.72 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 N-CA-C 107.289 -1.375 . . . . 56.31 107.289 -179.617 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . 0.424 ' HA ' HG21 ' A' ' 28' ' ' VAL . 34.8 ttpt -55.72 -46.97 77.64 Favored 'General case' 0 C--O 1.192 -1.93 0 O-C-N 124.596 1.185 . . . . 69.7 110.366 179.886 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -64.15 -54.39 34.52 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 118.665 -0.683 . . . . 68.62 111.735 -176.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -59.58 -47.62 84.85 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 124.324 1.015 . . . . 60.66 110.307 -177.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.8 mmt -65.75 -31.72 72.86 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 124.472 1.108 . . . . 57.55 109.578 -179.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.8 m -71.78 -41.51 68.26 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 123.993 0.808 . . . . 44.34 109.155 179.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -27.68 69.49 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 124.145 0.903 . . . . 81.58 109.193 178.333 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -84.39 -13.6 51.77 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 124.972 1.42 . . . . 64.95 109.058 179.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.71 13.41 25.88 Favored Glycine 0 C--O 1.214 -1.144 0 CA-C-O 117.598 -1.668 . . . . 45.55 114.38 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -91.93 147.24 23.11 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.435 1.617 . . . . 41.29 109.985 179.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -86.4 138.75 31.54 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 106.053 -1.832 . . . . 54.5 106.053 172.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . 0.424 HG21 ' HA ' ' A' ' 18' ' ' LYS . 87.6 t -120.01 131.21 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 O-C-N 124.396 1.06 . . . . 42.5 112.464 -176.894 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.1 m -118.69 145.48 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 106.408 -1.701 . . . . 40.2 106.408 171.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 82.5 p -121.98 151.7 40.5 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 124.228 0.955 . . . . 45.69 111.989 -174.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -137.27 142.59 41.97 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 105.859 -1.904 . . . . 45.21 105.859 176.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -117.02 0.81 12.49 Favored 'General case' 0 C--O 1.209 -1.04 0 C-N-CA 118.989 -1.084 . . . . 62.71 111.832 -175.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -153.01 172.84 16.22 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 119.388 -0.925 . . . . 56.98 108.645 176.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.09 -35.32 91.31 Favored Glycine 0 C--O 1.203 -1.803 0 O-C-N 125.558 1.787 . . . . 42.02 109.708 -179.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -65.98 -52.19 51.72 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.39 -0.967 . . . . 78.32 108.39 179.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 40' ' ' GLN . 59.5 mt-10 -63.28 -46.94 84.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 124.747 1.279 . . . . 50.81 109.889 178.644 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.21 -52.07 22.6 Favored 'General case' 0 C--O 1.198 -1.608 0 O-C-N 124.83 1.331 . . . . 43.37 109.413 178.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . 0.59 ' HB3' ' O ' ' A' ' 227' ' ' HOH . 70.2 mt -69.08 -36.51 77.67 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 124.706 1.254 . . . . 50.27 108.302 179.326 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -66.61 -54.32 24.68 Favored 'General case' 0 C--O 1.2 -1.537 0 CA-C-O 118.271 -0.871 . . . . 47.02 108.772 177.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 36' ' ' GLU . 75.3 mm-40 -63.27 -39.93 95.96 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-O 118.269 -0.872 . . . . 48.62 110.019 -179.25 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -59.46 -48.2 82.57 Favored 'General case' 0 C--O 1.206 -1.194 0 N-CA-C 108.652 -0.87 . . . . 57.77 108.652 -179.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 52.6 mm-40 -67.55 -40.44 84.96 Favored 'General case' 0 C--O 1.204 -1.306 0 CA-C-O 117.693 -1.146 . . . . 75.59 109.129 -179.037 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.62 -39.14 46.34 Favored 'General case' 0 C--O 1.204 -1.306 0 O-C-N 124.753 1.283 . . . . 45.2 113.723 -173.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -102.83 -18.96 14.87 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-O 116.215 -1.85 . . . . 47.62 113.502 -173.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 45.47 70.19 2.14 Favored Pre-proline 0 N--CA 1.482 1.172 0 O-C-N 125.458 1.724 . . . . 70.67 109.773 -178.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' PRO . . . . . 0.877 ' HG3' ' CB ' ' A' ' 5' ' ' LEU . 31.8 Cg_endo -71.88 156.74 56.23 Favored 'Trans proline' 0 C--O 1.191 -1.861 0 CA-C-N 119.932 1.011 . . . . 38.89 110.041 -179.41 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -71.86 -29.41 64.36 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 125.2 1.562 . . . . 47.22 108.219 179.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.8 tt -147.73 145.25 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 N-CA-C 106.85 -1.537 . . . . 45.11 106.85 179.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.3 mt -114.02 131.58 65.54 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.395 0 O-C-N 125.11 1.507 . . . . 43.0 108.274 177.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 57.9 mt -103.71 103.89 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 N-CA-C 104.013 -2.588 . . . . 46.18 104.013 174.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.8 tp -91.46 116.27 28.71 Favored 'General case' 0 C--O 1.201 -1.499 0 O-C-N 124.265 0.978 . . . . 37.55 110.584 -174.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASP . . . . . 0.443 ' OD1' ' HD2' ' A' ' 101' ' ' LYS . 34.8 t0 -145.04 80.53 1.62 Allowed 'General case' 0 C--O 1.208 -1.108 0 O-C-N 125.242 1.589 . . . . 74.49 109.29 -178.498 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 53' ' ' LEU . 11.7 mt -108.64 158.6 17.45 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 118.308 -0.853 . . . . 82.97 109.662 179.714 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . . . -53.17 -37.61 62.04 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 117.789 -1.1 . . . . 90.24 111.715 179.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . 1.077 HD12 ' OD2' ' A' ' 59' ' ' ASP . 93.4 mt -105.45 85.38 1.38 Allowed Pre-proline 0 N--CA 1.486 1.354 0 O-C-N 125.43 1.706 . . . . 86.34 106.895 175.916 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -61.83 -47.48 10.82 Favored 'Trans proline' 0 C--O 1.198 -1.485 0 CA-C-N 120.834 1.333 . . . . 77.96 112.136 -174.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . . . -81.43 -46.5 14.49 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 124.767 1.292 . . . . 81.76 112.606 -177.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 67.6 mt -71.81 -59.08 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 124.293 0.996 . . . . 75.76 110.5 -178.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASP . . . . . 1.077 ' OD2' HD12 ' A' ' 55' ' ' LEU . 93.0 m-20 -77.14 -62.33 1.69 Allowed 'General case' 0 N--CA 1.487 1.422 0 O-C-N 124.618 1.199 . . . . 81.43 110.402 -179.023 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.83 -36.7 55.89 Favored Glycine 0 N--CA 1.474 1.18 0 O-C-N 124.748 1.28 . . . . 69.12 110.085 179.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . 0.725 ' O ' ' HG3' ' A' ' 65' ' ' LYS . . . -64.77 -45.81 84.77 Favored 'General case' 0 CA--C 1.504 -0.8 0 O-C-N 124.917 1.01 . . . . 52.83 109.261 178.859 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -66.26 -39.32 89.38 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 107.378 -1.342 . . . . 66.64 107.378 178.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' VAL . . . . . 0.687 HG12 HD12 ' A' ' 67' ' ' ILE . 53.2 t -63.42 -49.95 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 N-CA-C 107.855 -1.165 . . . . 45.16 107.855 176.262 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.2 -48.72 80.21 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 124.138 0.899 . . . . 46.9 109.12 179.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LYS . . . . . 1.376 ' NZ ' HD21 ' A' ' 93' ' ' LEU . 69.0 mttm -56.25 -47.89 77.63 Favored 'General case' 0 N--CA 1.483 1.192 0 O-C-N 125.023 1.452 . . . . 74.26 107.418 179.358 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.4 m -66.41 -41.12 89.72 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 117.684 -1.151 . . . . 54.77 110.228 -179.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ILE . . . . . 0.687 HD12 HG12 ' A' ' 63' ' ' VAL . 4.4 mt -67.44 -46.19 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 124.477 1.111 . . . . 55.88 108.635 179.921 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ARG . . . . . 0.457 ' HA ' ' HD3' ' A' ' 68' ' ' ARG . 13.6 mmt-85 -60.31 -24.13 64.75 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 124.517 1.135 . . . . 54.77 110.705 -178.158 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 51.9 mttt -66.72 -20.81 66.04 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 107.849 -1.167 . . . . 71.6 107.849 -178.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.99 -22.93 2.53 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 124.72 1.263 . . . . 74.69 112.342 -177.069 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.5 t -136.1 148.1 48.11 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 116.309 -2.157 . . . . 61.5 112.809 -175.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.4 p -100.22 14.37 31.12 Favored 'General case' 0 C--O 1.204 -1.304 0 O-C-N 125.598 1.811 . . . . 57.42 108.64 176.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.5 p -49.34 130.2 17.58 Favored Pre-proline 0 N--CA 1.489 1.48 0 O-C-N 124.636 1.21 . . . . 45.28 108.17 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.8 127.49 23.19 Favored 'Trans proline' 0 C--O 1.185 -2.156 0 C-N-CA 121.478 1.452 . . . . 42.74 109.044 179.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.1 mt -114.57 113.77 44.68 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.238 0 N-CA-C 106.098 -1.815 . . . . 35.85 106.098 177.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.7 tt -95.72 97.81 9.99 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 103.727 -2.694 . . . . 45.59 103.727 175.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' MET . . . . . 0.532 ' HE3' ' HB2' ' A' ' 95' ' ' ALA . 6.5 ttm -67.31 112.63 4.66 Favored 'General case' 0 C--O 1.197 -1.704 0 N-CA-C 107.035 -1.468 . . . . 58.15 107.035 179.617 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 78' ' ' LEU . 0.3 OUTLIER -99.06 122.83 42.82 Favored 'General case' 0 C--O 1.197 -1.703 0 N-CA-C 102.864 -3.013 . . . . 50.21 102.864 176.806 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.5 t -150.7 151.07 31.88 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 116.393 -2.123 . . . . 46.67 107.591 -178.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.15 -18.03 56.1 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 118.591 -1.244 . . . . 57.41 107.867 176.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -76.93 118.92 19.99 Favored 'General case' 0 N--CA 1.483 1.195 0 O-C-N 124.882 1.364 . . . . 62.86 109.118 -179.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 23.6 p-10 -118.73 18.16 13.42 Favored 'General case' 0 C--O 1.195 -1.784 0 CA-C-O 117.284 -1.341 . . . . 46.76 111.195 -176.278 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.6 p -69.74 156.82 38.41 Favored 'General case' 0 C--O 1.205 -1.265 0 N-CA-C 108.361 -0.978 . . . . 44.59 108.361 179.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLU . . . . . 0.704 ' O ' HG23 ' A' ' 88' ' ' VAL . 74.6 mm-40 -66.19 -36.84 84.13 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.441 1.088 . . . . 68.49 108.258 179.337 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' PHE . . . . . 0.868 ' O ' HG22 ' A' ' 89' ' ' ILE . 40.6 t80 -57.61 -51.74 68.28 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 107.864 -1.161 . . . . 58.4 107.864 178.814 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -59.58 -46.18 89.67 Favored 'General case' 0 C--O 1.203 -1.377 0 O-C-N 124.185 0.928 . . . . 46.92 108.696 178.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -63.21 -51.44 66.27 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 124.501 1.125 . . . . 45.54 109.259 -178.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 84' ' ' GLU . 60.5 t -62.51 -52.39 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 124.795 1.309 . . . . 50.03 109.069 -179.417 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ILE . . . . . 0.868 HG22 ' O ' ' A' ' 85' ' ' PHE . 4.0 tp -59.17 -42.56 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 CA-C-O 117.866 -1.064 . . . . 55.78 110.104 -178.607 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.7 -44.89 97.38 Favored Glycine 0 C--O 1.206 -1.653 0 C-N-CA 119.705 -1.236 . . . . 38.72 110.194 178.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 95' ' ' ALA . 45.8 mt -71.26 -41.05 70.58 Favored 'General case' 0 C--O 1.206 -1.198 0 O-C-N 124.956 1.033 . . . . 48.87 109.184 -179.446 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -64.27 -35.52 81.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 124.204 0.94 . . . . 71.05 109.731 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LEU . . . . . 1.376 HD21 ' NZ ' ' A' ' 65' ' ' LYS . 2.3 mt -74.51 -10.97 60.08 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 116.919 -1.515 . . . . 70.95 110.957 178.926 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 126.54 -9.48 7.29 Favored Glycine 0 N--CA 1.475 1.297 0 CA-C-O 117.625 -1.653 . . . . 63.44 115.252 176.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ALA . . . . . 0.532 ' HB2' ' HE3' ' A' ' 77' ' ' MET . . . -60.79 128.47 36.69 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.276 1.038 . . . . 44.59 109.026 177.909 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.71 -25.4 44.69 Favored 'General case' 0 C--O 1.196 -1.723 0 O-C-N 124.358 1.036 . . . . 68.48 110.091 -178.445 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -152.17 157.11 41.06 Favored 'General case' 0 C--O 1.201 -1.479 0 N-CA-C 107.519 -1.289 . . . . 38.93 107.519 179.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -136.79 109.48 7.51 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 106.664 -1.606 . . . . 52.11 106.664 -178.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.9 t -109.8 140.37 29.01 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.349 0 N-CA-C 105.666 -1.976 . . . . 44.25 105.666 179.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 43.5 p -93.86 139.48 30.83 Favored 'General case' 0 C--O 1.206 -1.193 0 O-C-N 124.664 1.227 . . . . 51.87 110.036 -178.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LYS . . . . . 0.443 ' HD2' ' OD1' ' A' ' 52' ' ' ASP . 64.5 mtpt -85.74 132.3 44.7 Favored Pre-proline 0 N--CA 1.481 1.107 0 N-CA-C 103.576 -2.75 . . . . 60.81 103.576 173.596 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -77.76 140.96 65.15 Favored 'Cis proline' 0 C--O 1.176 -2.62 0 CA-C-N 122.551 1.947 . . . . 66.97 113.012 3.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' PHE . . . . . 0.626 ' CD1' HD22 ' A' ' 108' ' ' LEU . 12.5 p90 -110.91 165.16 12.08 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 124.996 1.435 . . . . 59.59 110.683 -178.405 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.67 129.33 38.63 Favored 'General case' 0 C--O 1.205 -1.282 0 N-CA-C 107.16 -1.422 . . . . 44.88 107.16 176.406 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -58.87 -45.25 90.61 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 124.072 0.857 . . . . 69.81 108.756 -178.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -44.75 96.56 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 124.553 1.158 . . . . 80.55 109.43 -179.815 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -67.63 -46.77 71.52 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 124.563 1.164 . . . . 54.93 110.22 -179.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LEU . . . . . 0.626 HD22 ' CD1' ' A' ' 103' ' ' PHE . 44.0 tp -58.81 -39.86 82.42 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 107.648 -1.241 . . . . 45.06 107.648 177.654 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -63.07 -42.83 99.76 Favored 'General case' 0 C--O 1.202 -1.397 0 O-C-N 124.835 1.335 . . . . 65.44 107.886 177.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.58 -39.02 74.13 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 124.373 1.046 . . . . 38.49 109.778 -178.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' ARG . . . . . 0.565 HH11 ' HG2' ' A' ' 111' ' ' ARG . 18.7 mtt-85 -70.39 -42.19 72.02 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 124.295 0.997 . . . . 49.81 109.508 -178.757 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.0 t -59.68 -45.7 94.1 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.562 0 N-CA-C 105.887 -1.894 . . . . 47.45 105.887 175.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 3.7 ttpp -61.26 -48.43 81.48 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 124.932 1.395 . . . . 69.7 108.375 177.949 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.87 -52.91 62.4 Favored 'General case' 0 C--O 1.205 -1.263 0 O-C-N 124.294 0.996 . . . . 42.44 109.04 176.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' LEU . . . . . 0.748 ' CD2' HH11 ' A' ' 118' ' ' ARG . 0.2 OUTLIER -54.6 -50.41 68.12 Favored 'General case' 0 N--CA 1.484 1.25 0 O-C-N 124.209 0.943 . . . . 43.51 109.413 179.677 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LEU . . . . . 0.429 HD13 ' HG2' ' A' ' 2' ' ' LYS . 48.2 mt -66.66 -34.34 77.65 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 125.339 1.649 . . . . 54.02 108.885 -178.398 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 117' ' ' ARG . . . . . 0.458 ' HB2' ' O ' ' A' ' 113' ' ' LYS . 11.6 ttp180 -59.4 -32.53 70.25 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 124.465 1.103 . . . . 62.08 109.514 179.21 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ARG . . . . . 0.748 HH11 ' CD2' ' A' ' 115' ' ' LEU . 89.9 mtm180 -94.52 19.1 10.2 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 117.966 -1.016 . . . . 76.8 110.284 -179.679 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 73.8 m . . . . . 0 N--CA 1.481 1.122 0 O-C-N 124.545 1.153 . . . . 75.25 109.645 177.611 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . 0.59 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.429 ' HG2' HD13 ' A' ' 116' ' ' LEU . 1.6 mptt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 117.973 -1.013 . . . . 63.73 109.054 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -102.4 128.38 49.02 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 124.631 1.207 . . . . 54.49 112.51 -176.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 mt -112.89 125.53 70.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 O-C-N 124.848 1.342 . . . . 49.01 108.312 178.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.877 ' CB ' ' HG3' ' A' ' 46' ' ' PRO . 5.3 tp -97.03 111.09 23.48 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 105.41 -2.07 . . . . 44.85 105.41 172.773 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.423 ' CD1' HG22 ' A' ' 17' ' ' ILE . 46.7 mt -91.26 93.75 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 124.708 1.255 . . . . 49.12 108.814 178.832 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.6 t -80.8 101.31 5.65 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.703 0 N-CA-C 105.526 -2.027 . . . . 38.97 105.526 176.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' A' ' 52' ' ' ASP . 0.7 OUTLIER -143.76 133.46 23.73 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 105.9 -1.889 . . . . 57.54 105.9 -178.008 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.3 p-10 -92.0 8.79 36.03 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 125.208 1.567 . . . . 58.28 108.641 178.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -118.97 110.73 17.47 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 125.608 1.817 . . . . 78.66 106.979 177.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 15.1 tttp -64.67 -41.8 59.86 Favored Pre-proline 0 C--O 1.196 -1.753 0 CA-C-O 117.415 -1.278 . . . . 66.31 111.593 -177.337 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 90.5 Cg_exo -54.47 -47.33 27.46 Favored 'Trans proline' 0 C--O 1.19 -1.922 0 CA-C-N 121.754 1.662 . . . . 57.58 112.16 -179.829 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.7 mm -66.77 -36.37 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 N-CA-C 108.183 -1.043 . . . . 58.01 108.183 -179.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.0 t -63.94 -38.04 89.63 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 124.931 1.395 . . . . 53.31 109.908 -178.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -71.18 -40.15 71.41 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 124.66 1.225 . . . . 55.64 109.379 -179.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.7 mt -62.21 -53.39 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 N-CA-C 107.923 -1.14 . . . . 57.22 107.923 179.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.423 HG22 ' CD1' ' A' ' 6' ' ' ILE . 87.1 mt -61.43 -44.72 99.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 N-CA-C 107.289 -1.375 . . . . 56.31 107.289 -179.617 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.424 ' HA ' HG21 ' A' ' 28' ' ' VAL . 34.8 ttpt -55.72 -46.97 77.64 Favored 'General case' 0 C--O 1.192 -1.93 0 O-C-N 124.596 1.185 . . . . 69.7 110.366 179.886 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -64.15 -54.39 34.52 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 118.665 -0.683 . . . . 68.62 111.735 -176.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -59.58 -47.62 84.85 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 124.324 1.015 . . . . 60.66 110.307 -177.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.8 mmt -65.75 -31.72 72.86 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 124.472 1.108 . . . . 57.55 109.578 -179.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.8 m -71.78 -41.51 68.26 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 123.993 0.808 . . . . 44.34 109.155 179.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -27.68 69.49 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 124.145 0.903 . . . . 81.58 109.193 178.333 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -84.39 -13.6 51.77 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 124.972 1.42 . . . . 64.95 109.058 179.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.71 13.41 25.88 Favored Glycine 0 C--O 1.214 -1.144 0 CA-C-O 117.598 -1.668 . . . . 45.55 114.38 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -91.93 147.24 23.11 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.435 1.617 . . . . 41.29 109.985 179.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -86.4 138.75 31.54 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 106.053 -1.832 . . . . 54.5 106.053 172.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.424 HG21 ' HA ' ' A' ' 18' ' ' LYS . 87.6 t -120.01 131.21 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 O-C-N 124.396 1.06 . . . . 42.5 112.464 -176.894 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.1 m -118.69 145.48 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 N-CA-C 106.408 -1.701 . . . . 40.2 106.408 171.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 82.5 p -121.98 151.7 40.5 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 124.228 0.955 . . . . 45.69 111.989 -174.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -137.27 142.59 41.97 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 105.859 -1.904 . . . . 45.21 105.859 176.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -117.02 0.81 12.49 Favored 'General case' 0 C--O 1.209 -1.04 0 C-N-CA 118.989 -1.084 . . . . 62.71 111.832 -175.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.8 p30 -153.01 172.84 16.22 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 119.388 -0.925 . . . . 56.98 108.645 176.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.09 -35.32 91.31 Favored Glycine 0 C--O 1.203 -1.803 0 O-C-N 125.558 1.787 . . . . 42.02 109.708 -179.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 -65.98 -52.19 51.72 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.39 -0.967 . . . . 78.32 108.39 179.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 40' ' ' GLN . 59.5 mt-10 -63.28 -46.94 84.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 124.747 1.279 . . . . 50.81 109.889 178.644 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.21 -52.07 22.6 Favored 'General case' 0 C--O 1.198 -1.608 0 O-C-N 124.83 1.331 . . . . 43.37 109.413 178.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.59 ' HB3' ' O ' ' A' ' 227' ' ' HOH . 70.2 mt -69.08 -36.51 77.67 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 124.706 1.254 . . . . 50.27 108.302 179.326 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -66.61 -54.32 24.68 Favored 'General case' 0 C--O 1.2 -1.537 0 CA-C-O 118.271 -0.871 . . . . 47.02 108.772 177.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 36' ' ' GLU . 75.3 mm-40 -63.27 -39.93 95.96 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-O 118.269 -0.872 . . . . 48.62 110.019 -179.25 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -59.46 -48.2 82.57 Favored 'General case' 0 C--O 1.206 -1.194 0 N-CA-C 108.652 -0.87 . . . . 57.77 108.652 -179.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 52.6 mm-40 -67.55 -40.44 84.96 Favored 'General case' 0 C--O 1.204 -1.306 0 CA-C-O 117.693 -1.146 . . . . 75.59 109.129 -179.037 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.62 -39.14 46.34 Favored 'General case' 0 C--O 1.204 -1.306 0 O-C-N 124.753 1.283 . . . . 45.2 113.723 -173.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -102.83 -18.96 14.87 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-O 116.215 -1.85 . . . . 47.62 113.502 -173.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 45.47 70.19 2.14 Favored Pre-proline 0 N--CA 1.482 1.172 0 O-C-N 125.458 1.724 . . . . 70.67 109.773 -178.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.877 ' HG3' ' CB ' ' A' ' 5' ' ' LEU . 31.8 Cg_endo -71.88 156.74 56.23 Favored 'Trans proline' 0 C--O 1.191 -1.861 0 CA-C-N 119.932 1.011 . . . . 38.89 110.041 -179.41 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -71.86 -29.41 64.36 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 125.2 1.562 . . . . 47.22 108.219 179.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.8 tt -147.73 145.25 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 N-CA-C 106.85 -1.537 . . . . 45.11 106.85 179.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 63.3 mt -114.02 131.58 65.54 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.395 0 O-C-N 125.11 1.507 . . . . 43.0 108.274 177.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 57.9 mt -103.71 103.89 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 N-CA-C 104.013 -2.588 . . . . 46.18 104.013 174.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.8 tp -91.46 116.27 28.71 Favored 'General case' 0 C--O 1.201 -1.499 0 O-C-N 124.265 0.978 . . . . 37.55 110.584 -174.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.443 ' OD1' ' HD2' ' A' ' 101' ' ' LYS . 34.8 t0 -145.04 80.53 1.62 Allowed 'General case' 0 C--O 1.208 -1.108 0 O-C-N 125.242 1.589 . . . . 74.49 109.29 -178.498 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 53' ' ' LEU . 11.7 mt -108.64 158.6 17.45 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 118.308 -0.853 . . . . 82.97 109.662 179.714 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . . . -53.17 -37.61 62.04 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 117.789 -1.1 . . . . 90.24 111.715 179.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.077 HD12 ' OD2' ' A' ' 59' ' ' ASP . 93.4 mt -105.45 85.38 1.38 Allowed Pre-proline 0 N--CA 1.486 1.354 0 O-C-N 125.43 1.706 . . . . 86.34 106.895 175.916 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -61.83 -47.48 10.82 Favored 'Trans proline' 0 C--O 1.198 -1.485 0 CA-C-N 120.834 1.333 . . . . 77.96 112.136 -174.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . . . -81.43 -46.5 14.49 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 124.767 1.292 . . . . 81.76 112.606 -177.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 67.6 mt -71.81 -59.08 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 124.293 0.996 . . . . 75.76 110.5 -178.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASP . . . . . 1.077 ' OD2' HD12 ' A' ' 55' ' ' LEU . 93.0 m-20 -77.14 -62.33 1.69 Allowed 'General case' 0 N--CA 1.487 1.422 0 O-C-N 124.618 1.199 . . . . 81.43 110.402 -179.023 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -53.83 -36.7 55.89 Favored Glycine 0 N--CA 1.474 1.18 0 O-C-N 124.748 1.28 . . . . 69.12 110.085 179.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.725 ' O ' ' HG3' ' A' ' 65' ' ' LYS . . . -64.77 -45.81 84.77 Favored 'General case' 0 CA--C 1.504 -0.8 0 O-C-N 124.917 1.01 . . . . 52.83 109.261 178.859 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -66.26 -39.32 89.38 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 107.378 -1.342 . . . . 66.64 107.378 178.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.687 HG12 HD12 ' A' ' 67' ' ' ILE . 53.2 t -63.42 -49.95 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 N-CA-C 107.855 -1.165 . . . . 45.16 107.855 176.262 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.2 -48.72 80.21 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 124.138 0.899 . . . . 46.9 109.12 179.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LYS . . . . . 1.376 ' NZ ' HD21 ' A' ' 93' ' ' LEU . 69.0 mttm -56.25 -47.89 77.63 Favored 'General case' 0 N--CA 1.483 1.192 0 O-C-N 125.023 1.452 . . . . 74.26 107.418 179.358 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.4 m -66.41 -41.12 89.72 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 117.684 -1.151 . . . . 54.77 110.228 -179.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.687 HD12 HG12 ' A' ' 63' ' ' VAL . 4.4 mt -67.44 -46.19 83.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 124.477 1.111 . . . . 55.88 108.635 179.921 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.457 ' HA ' ' HD3' ' A' ' 68' ' ' ARG . 13.6 mmt-85 -60.31 -24.13 64.75 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 124.517 1.135 . . . . 54.77 110.705 -178.158 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 51.9 mttt -66.72 -20.81 66.04 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 107.849 -1.167 . . . . 71.6 107.849 -178.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.99 -22.93 2.53 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 124.72 1.263 . . . . 74.69 112.342 -177.069 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.5 t -136.1 148.1 48.11 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 116.309 -2.157 . . . . 61.5 112.809 -175.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.4 p -100.22 14.37 31.12 Favored 'General case' 0 C--O 1.204 -1.304 0 O-C-N 125.598 1.811 . . . . 57.42 108.64 176.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.5 p -49.34 130.2 17.58 Favored Pre-proline 0 N--CA 1.489 1.48 0 O-C-N 124.636 1.21 . . . . 45.28 108.17 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.8 127.49 23.19 Favored 'Trans proline' 0 C--O 1.185 -2.156 0 C-N-CA 121.478 1.452 . . . . 42.74 109.044 179.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.1 mt -114.57 113.77 44.68 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.238 0 N-CA-C 106.098 -1.815 . . . . 35.85 106.098 177.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.7 tt -95.72 97.81 9.99 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 103.727 -2.694 . . . . 45.59 103.727 175.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' MET . . . . . 0.532 ' HE3' ' HB2' ' A' ' 95' ' ' ALA . 6.5 ttm -67.31 112.63 4.66 Favored 'General case' 0 C--O 1.197 -1.704 0 N-CA-C 107.035 -1.468 . . . . 58.15 107.035 179.617 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 78' ' ' LEU . 0.3 OUTLIER -99.06 122.83 42.82 Favored 'General case' 0 C--O 1.197 -1.703 0 N-CA-C 102.864 -3.013 . . . . 50.21 102.864 176.806 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.5 t -150.7 151.07 31.88 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 116.393 -2.123 . . . . 46.67 107.591 -178.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.15 -18.03 56.1 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 118.591 -1.244 . . . . 57.41 107.867 176.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -76.93 118.92 19.99 Favored 'General case' 0 N--CA 1.483 1.195 0 O-C-N 124.882 1.364 . . . . 62.86 109.118 -179.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 23.6 p-10 -118.73 18.16 13.42 Favored 'General case' 0 C--O 1.195 -1.784 0 CA-C-O 117.284 -1.341 . . . . 46.76 111.195 -176.278 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.6 p -69.74 156.82 38.41 Favored 'General case' 0 C--O 1.205 -1.265 0 N-CA-C 108.361 -0.978 . . . . 44.59 108.361 179.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.704 ' O ' HG23 ' A' ' 88' ' ' VAL . 74.6 mm-40 -66.19 -36.84 84.13 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.441 1.088 . . . . 68.49 108.258 179.337 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.868 ' O ' HG22 ' A' ' 89' ' ' ILE . 40.6 t80 -57.61 -51.74 68.28 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 107.864 -1.161 . . . . 58.4 107.864 178.814 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -59.58 -46.18 89.67 Favored 'General case' 0 C--O 1.203 -1.377 0 O-C-N 124.185 0.928 . . . . 46.92 108.696 178.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -63.21 -51.44 66.27 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 124.501 1.125 . . . . 45.54 109.259 -178.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 84' ' ' GLU . 60.5 t -62.51 -52.39 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 124.795 1.309 . . . . 50.03 109.069 -179.417 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.868 HG22 ' O ' ' A' ' 85' ' ' PHE . 4.0 tp -59.17 -42.56 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 CA-C-O 117.866 -1.064 . . . . 55.78 110.104 -178.607 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.7 -44.89 97.38 Favored Glycine 0 C--O 1.206 -1.653 0 C-N-CA 119.705 -1.236 . . . . 38.72 110.194 178.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 95' ' ' ALA . 45.8 mt -71.26 -41.05 70.58 Favored 'General case' 0 C--O 1.206 -1.198 0 O-C-N 124.956 1.033 . . . . 48.87 109.184 -179.446 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -64.27 -35.52 81.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 124.204 0.94 . . . . 71.05 109.731 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LEU . . . . . 1.376 HD21 ' NZ ' ' A' ' 65' ' ' LYS . 2.3 mt -74.51 -10.97 60.08 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 116.919 -1.515 . . . . 70.95 110.957 178.926 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 126.54 -9.48 7.29 Favored Glycine 0 N--CA 1.475 1.297 0 CA-C-O 117.625 -1.653 . . . . 63.44 115.252 176.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.532 ' HB2' ' HE3' ' A' ' 77' ' ' MET . . . -60.79 128.47 36.69 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.276 1.038 . . . . 44.59 109.026 177.909 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.71 -25.4 44.69 Favored 'General case' 0 C--O 1.196 -1.723 0 O-C-N 124.358 1.036 . . . . 68.48 110.091 -178.445 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -152.17 157.11 41.06 Favored 'General case' 0 C--O 1.201 -1.479 0 N-CA-C 107.519 -1.289 . . . . 38.93 107.519 179.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -136.79 109.48 7.51 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 106.664 -1.606 . . . . 52.11 106.664 -178.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 76.9 t -109.8 140.37 29.01 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.349 0 N-CA-C 105.666 -1.976 . . . . 44.25 105.666 179.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 43.5 p -93.86 139.48 30.83 Favored 'General case' 0 C--O 1.206 -1.193 0 O-C-N 124.664 1.227 . . . . 51.87 110.036 -178.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.443 ' HD2' ' OD1' ' A' ' 52' ' ' ASP . 64.5 mtpt -85.74 132.3 44.7 Favored Pre-proline 0 N--CA 1.481 1.107 0 N-CA-C 103.576 -2.75 . . . . 60.81 103.576 173.596 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -77.76 140.96 65.15 Favored 'Cis proline' 0 C--O 1.176 -2.62 0 CA-C-N 122.551 1.947 . . . . 66.97 113.012 3.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.626 ' CD1' HD22 ' A' ' 108' ' ' LEU . 12.5 p90 -110.91 165.16 12.08 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 124.996 1.435 . . . . 59.59 110.683 -178.405 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.67 129.33 38.63 Favored 'General case' 0 C--O 1.205 -1.282 0 N-CA-C 107.16 -1.422 . . . . 44.88 107.16 176.406 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -58.87 -45.25 90.61 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 124.072 0.857 . . . . 69.81 108.756 -178.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -44.75 96.56 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 124.553 1.158 . . . . 80.55 109.43 -179.815 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -67.63 -46.77 71.52 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 124.563 1.164 . . . . 54.93 110.22 -179.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.626 HD22 ' CD1' ' A' ' 103' ' ' PHE . 44.0 tp -58.81 -39.86 82.42 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 107.648 -1.241 . . . . 45.06 107.648 177.654 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -63.07 -42.83 99.76 Favored 'General case' 0 C--O 1.202 -1.397 0 O-C-N 124.835 1.335 . . . . 65.44 107.886 177.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.58 -39.02 74.13 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 124.373 1.046 . . . . 38.49 109.778 -178.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.565 HH11 ' HG2' ' A' ' 111' ' ' ARG . 18.7 mtt-85 -70.39 -42.19 72.02 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 124.295 0.997 . . . . 49.81 109.508 -178.757 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.0 t -59.68 -45.7 94.1 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.562 0 N-CA-C 105.887 -1.894 . . . . 47.45 105.887 175.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 3.7 ttpp -61.26 -48.43 81.48 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 124.932 1.395 . . . . 69.7 108.375 177.949 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.87 -52.91 62.4 Favored 'General case' 0 C--O 1.205 -1.263 0 O-C-N 124.294 0.996 . . . . 42.44 109.04 176.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.748 ' CD2' HH11 ' A' ' 118' ' ' ARG . 0.2 OUTLIER -54.6 -50.41 68.12 Favored 'General case' 0 N--CA 1.484 1.25 0 O-C-N 124.209 0.943 . . . . 43.51 109.413 179.677 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.429 HD13 ' HG2' ' A' ' 2' ' ' LYS . 48.2 mt -66.66 -34.34 77.65 Favored 'General case' 0 N--CA 1.485 1.318 0 O-C-N 125.339 1.649 . . . . 54.02 108.885 -178.398 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.458 ' HB2' ' O ' ' A' ' 113' ' ' LYS . 11.6 ttp180 -59.4 -32.53 70.25 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 124.465 1.103 . . . . 62.08 109.514 179.21 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.748 HH11 ' CD2' ' A' ' 115' ' ' LEU . 89.9 mtm180 -94.52 19.1 10.2 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 117.966 -1.016 . . . . 76.8 110.284 -179.679 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 73.8 m . . . . . 0 N--CA 1.481 1.122 0 O-C-N 124.545 1.153 . . . . 75.25 109.645 177.611 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . 0.59 ' O ' ' HB3' ' A' ' 38' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_