data_3icb_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 3icb _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 123.206 1.479 . . . . 24.88 111.497 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -69.56 163.08 62.45 Favored Pre-proline 0 N--CA 1.468 0.436 0 CA-C-N 112.999 -1.91 . . . . 14.91 108.968 179.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -61.69 -35.71 78.73 Favored 'Trans proline' 0 N--CA 1.444 -1.39 0 O-C-N 127.095 3.155 . . . . 10.44 111.576 -179.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -69.59 -31.31 69.39 Favored 'General case' 0 C--O 1.262 1.732 0 O-C-N 124.758 1.286 . . . . 16.12 112.006 -178.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -74.02 -40.91 62.55 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 126.908 2.083 . . . . 18.5 109.076 177.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.0 mt -66.22 -39.02 89.3 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 125.217 1.573 . . . . 12.48 109.703 177.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -62.72 -31.22 72.1 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-O 122.658 1.218 . . . . 18.48 108.551 -179.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.57 -49.68 67.58 Favored Glycine 0 C--N 1.295 -1.724 0 CA-C-N 114.196 -1.366 . . . . 5.64 111.473 179.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' PHE . 60.1 mt -66.05 -57.79 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 127.757 2.423 . . . . 5.37 105.729 179.026 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 9' ' ' ILE . 52.3 t80 -40.56 -55.71 2.26 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 108.797 -0.816 . . . . 8.18 108.797 177.136 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -53.81 -43.24 69.21 Favored 'General case' 0 C--O 1.258 1.515 0 N-CA-C 120.245 3.424 . . . . 25.38 120.245 -177.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -57.89 -43.13 85.89 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 109.853 -0.425 . . . . 16.73 109.853 176.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -76.23 -55.43 5.58 Favored 'General case' 0 C--O 1.254 1.317 0 N-CA-C 115.188 1.551 . . . . 8.0 115.188 -178.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.34 -30.97 1.43 Allowed 'General case' 0 C--O 1.282 2.778 0 N-CA-C 116.586 2.069 . . . . 3.81 116.586 179.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.16 -7.74 59.27 Favored 'General case' 0 C--O 1.255 1.35 0 CA-C-O 113.619 -3.086 . . . . 2.92 114.825 -179.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -64.71 -25.17 67.82 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 123.699 2.954 . . . . 15.3 113.682 -177.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -163.47 167.93 20.88 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.204 1.401 . . . . 10.96 111.36 -178.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.78 -124.05 22.25 Favored Glycine 0 CA--C 1.541 1.684 1 C-N-CA 130.96 4.124 . . . . 3.95 110.594 178.862 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -71.88 121.52 84.76 Favored Pre-proline 0 C--N 1.301 -1.53 0 N-CA-C 101.928 -3.36 . . . . 10.63 101.928 176.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -73.99 -0.64 9.77 Favored 'Trans proline' 0 CA--C 1.508 -0.819 0 O-C-N 126.491 2.837 . . . . 4.85 113.639 -178.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.278 75.4 m-20 -107.26 -16.93 14.28 Favored 'General case' 0 N--CA 1.434 -1.235 0 C-N-CA 129.443 3.097 . . . . 17.61 117.063 -176.43 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -130.33 156.73 44.2 Favored 'General case' 0 C--N 1.285 -2.226 1 O-C-N 130.48 4.862 . . . . 14.21 113.156 -176.698 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.9 mt -93.8 137.99 32.45 Favored 'General case' 0 CA--C 1.555 1.159 0 O-C-N 126.678 2.486 . . . . 3.17 109.29 -179.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.8 p -92.32 162.44 14.28 Favored 'General case' 0 C--N 1.286 -2.155 0 C-N-CA 131.613 3.965 . . . . 3.87 101.373 174.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -60.46 -36.67 78.82 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.586 -1.264 . . . . 17.17 107.586 177.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -64.87 -43.18 93.77 Favored 'General case' 0 C--O 1.25 1.128 0 C-N-CA 127.38 2.272 . . . . 30.44 116.985 -177.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -69.55 -38.04 77.3 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 110.864 -2.88 . . . . 8.23 109.547 177.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.8 tp -67.16 -38.81 86.1 Favored 'General case' 0 C--O 1.247 0.949 0 CA-C-O 123.641 1.686 . . . . 2.43 107.812 177.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -62.91 -46.96 85.37 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 125.67 2.652 . . . . 15.53 110.64 -179.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . 0.327 4.2 tp -58.74 -47.04 85.99 Favored 'General case' 0 C--O 1.266 1.949 0 CA-C-N 111.832 -2.44 . . . . 9.58 108.568 179.626 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.73 -51.9 67.38 Favored 'General case' 0 C--O 1.206 -1.198 0 O-C-N 118.935 -2.353 . . . . 4.63 111.968 -179.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.9 mt -59.05 -50.04 75.6 Favored 'General case' 0 C--O 1.264 1.834 0 O-C-N 127.302 2.876 . . . . 8.5 112.708 -176.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . 0.306 5.7 pt20 -69.78 -41.72 74.74 Favored 'General case' 0 C--O 1.269 2.129 0 C-N-CA 114.233 -2.987 . . . . 20.33 111.506 -179.226 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 m -68.64 -48.57 63.69 Favored 'General case' 0 N--CA 1.496 1.859 0 CA-C-N 121.42 1.918 . . . . 13.61 114.554 -178.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -89.82 -49.17 6.78 Favored 'General case' 0 C--O 1.26 1.647 0 CA-C-O 115.384 -2.246 . . . . 12.97 115.373 -177.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -126.99 68.39 71.58 Favored Pre-proline 0 C--O 1.265 1.92 0 CA-C-N 122.578 2.444 . . . . 14.92 117.226 -179.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . 0.259 51.5 Cg_exo -48.18 -34.22 23.49 Favored 'Trans proline' 0 C--O 1.274 2.295 0 C-N-CA 124.379 3.386 . . . . 16.98 120.795 179.866 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 94.1 p -87.42 -1.45 57.93 Favored 'General case' 0 C--O 1.267 1.992 0 CA-C-N 125.619 3.827 . . . . 25.09 112.971 -179.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.28 -39.88 68.02 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 116.394 -2.122 . . . . 21.65 105.457 -177.873 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . 0.284 1.0 OUTLIER -87.32 -2.97 59.0 Favored 'General case' 0 C--O 1.26 1.607 1 O-C-N 130.34 4.775 . . . . 27.47 113.532 -176.819 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -118.86 50.16 1.23 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 120.159 1.345 . . . . 35.59 109.352 176.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -117.01 -152.2 9.57 Favored Glycine 0 N--CA 1.481 1.645 1 CA-C-O 113.221 -4.1 . . . . 19.59 107.495 -179.446 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.06 -23.26 18.51 Favored 'Trans proline' 0 C--O 1.253 1.263 0 O-C-N 128.417 3.851 . . . . 12.32 115.587 -179.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.4 m -94.41 154.5 17.42 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 125.596 1.81 . . . . 16.91 110.622 -179.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.6 p -94.06 164.93 12.88 Favored 'General case' 0 C--O 1.252 1.208 0 N-CA-C 102.599 -3.111 . . . . 11.76 102.599 175.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tp -57.61 -41.41 81.23 Favored 'General case' 0 C--N 1.309 -1.159 0 C-N-CA 119.895 -0.722 . . . . 14.66 109.619 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.87 -47.62 77.04 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 126.692 2.495 . . . . 22.96 109.487 179.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . 0.328 10.9 pt-20 -71.12 -28.92 64.65 Favored 'General case' 0 C--O 1.251 1.133 0 O-C-N 127.914 3.259 . . . . 20.61 112.417 -177.46 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.45 -43.06 67.37 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 106.01 -1.848 . . . . 13.62 106.01 176.482 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -53.96 -47.4 71.36 Favored 'General case' 0 C--N 1.316 -0.889 0 C-N-CA 124.588 1.155 . . . . 12.18 112.066 176.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -62.28 -44.21 97.04 Favored 'General case' 0 C--N 1.314 -0.941 0 O-C-N 119.508 -1.995 . . . . 32.08 111.556 -179.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.06 -49.32 78.14 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 113.839 -1.528 . . . . 19.25 107.785 -178.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . 0.335 17.4 mt -69.83 -47.22 63.56 Favored 'General case' 0 C--O 1.254 1.332 0 CA-C-O 116.28 -1.819 . . . . 8.99 111.551 -179.1 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -67.35 90.74 0.24 Allowed 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 124.194 3.179 . . . . 7.97 111.851 179.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -67.22 -56.98 7.59 Favored 'General case' 0 C--O 1.271 2.192 0 O-C-N 121.201 -0.937 . . . . 16.04 108.984 179.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . 0.377 3.2 p30 -66.11 -51.39 58.4 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 115.159 -2.616 . . . . 13.61 112.86 179.468 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.88 24.8 5.91 Favored Glycine 0 N--CA 1.487 2.075 0 CA-C-N 122.009 2.186 . . . . 12.84 108.076 -179.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.2 p-10 -87.05 4.88 40.25 Favored 'General case' 0 C--O 1.253 1.28 0 O-C-N 128.373 3.043 . . . . 10.79 111.325 178.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.56 5.49 88.06 Favored Glycine 0 C--O 1.223 -0.551 0 C-N-CA 125.129 1.347 . . . . 7.13 115.962 179.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.8 153.73 47.95 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.516 1.15 . . . . 13.2 110.188 179.457 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.7 t -115.69 114.64 46.87 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 N-CA-C 102.251 -3.24 . . . . 3.17 102.251 177.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.5 p -85.28 175.44 8.91 Favored 'General case' 0 C--N 1.288 -2.095 0 O-C-N 126.616 2.447 . . . . 10.68 105.794 175.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -67.04 -37.81 84.75 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 125.215 1.572 . . . . 9.39 111.599 -178.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -63.88 -42.77 97.41 Favored 'General case' 0 C--O 1.255 1.372 0 CA-C-O 116.677 -1.63 . . . . 28.17 109.839 178.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -64.85 -38.1 89.84 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 125.811 1.945 . . . . 8.1 110.499 178.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -60.6 -31.45 70.61 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 125.772 1.629 . . . . 11.56 109.785 178.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLN . . . . . 0.455 ' O ' ' C ' ' A' ' 68' ' ' VAL 0.373 4.1 mt-30 -49.75 -46.81 50.93 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 115.457 -2.211 . . . . 30.25 109.881 -178.964 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . 0.455 ' C ' ' O ' ' A' ' 67' ' ' GLN . 2.7 t -33.82 -65.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.272 2.258 1 CA-C-N 126.908 4.413 . . . . 20.31 115.018 175.944 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . 0.254 6.3 tp -50.78 -39.25 52.04 Favored 'General case' 0 C--N 1.3 -1.552 1 O-C-N 115.89 -4.256 . . . . 20.97 113.739 -179.067 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 52.5 t -43.24 -36.08 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 119.688 -1.882 . . . . 27.64 111.008 -176.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -60.61 -40.35 91.49 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 123.356 1.551 . . . . 31.11 110.188 -177.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -74.73 -36.56 62.66 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 114.494 -1.23 . . . . 39.45 109.922 178.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 18.3 mt -62.64 -50.3 80.34 Favored 'Isoleucine or valine' 0 C--O 1.255 1.371 0 CA-C-O 123.445 1.593 . . . . 34.0 110.209 179.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.4 m -70.29 -21.4 62.95 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-N 113.443 -1.708 . . . . 39.92 111.16 -179.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 . . . . . 0 C--O 1.268 2.052 0 N-CA-C 116.345 1.98 . . . . 55.26 116.345 -178.931 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' LYS . . . . . 0.648 ' HB3' ' CD ' ' A' ' 5' ' ' GLU . 1.2 mtmm . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 123.206 1.479 . . . . 24.88 111.497 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . 0.498 ' HB2' ' CD ' ' A' ' 3' ' ' PRO . 60.2 p -69.56 163.08 62.45 Favored Pre-proline 0 N--CA 1.468 0.436 0 CA-C-N 112.999 -1.91 . . . . 14.91 108.968 179.224 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PRO . . . . . 0.498 ' CD ' ' HB2' ' A' ' 2' ' ' SER . 34.0 Cg_exo -61.69 -35.71 78.73 Favored 'Trans proline' 0 N--CA 1.444 -1.39 0 O-C-N 127.095 3.155 . . . . 10.44 111.576 -179.696 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -69.59 -31.31 69.39 Favored 'General case' 0 C--O 1.262 1.732 0 O-C-N 124.758 1.286 . . . . 16.12 112.006 -178.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLU . . . . . 0.648 ' CD ' ' HB3' ' A' ' 1' ' ' LYS . 46.0 tt0 -74.02 -40.91 62.55 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 126.908 2.083 . . . . 18.5 109.076 177.676 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 6' ' ' LEU . 38.0 mt -66.22 -39.02 89.3 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 125.217 1.573 . . . . 12.48 109.703 177.194 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 11.9 tttt -62.72 -31.22 72.1 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-O 122.658 1.218 . . . . 18.48 108.551 -179.57 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.57 -49.68 67.58 Favored Glycine 0 C--N 1.295 -1.724 0 CA-C-N 114.196 -1.366 . . . . 5.64 111.473 179.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' PHE . 60.1 mt -66.05 -57.79 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 127.757 2.423 . . . . 5.37 105.729 179.026 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 9' ' ' ILE . 52.3 t80 -40.56 -55.71 2.26 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 108.797 -0.816 . . . . 8.18 108.797 177.136 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 6.8 mt-10 -53.81 -43.24 69.21 Favored 'General case' 0 C--O 1.258 1.515 0 N-CA-C 120.245 3.424 . . . . 25.38 120.245 -177.738 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -57.89 -43.13 85.89 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 109.853 -0.425 . . . . 16.73 109.853 176.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TYR . . . . . 0.436 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 97.8 m-85 -76.23 -55.43 5.58 Favored 'General case' 0 C--O 1.254 1.317 0 N-CA-C 115.188 1.551 . . . . 8.0 115.188 -178.598 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.34 -30.97 1.43 Allowed 'General case' 0 C--O 1.282 2.778 0 N-CA-C 116.586 2.069 . . . . 3.81 116.586 179.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . 0.614 ' HA ' ' HA ' ' A' ' 20' ' ' PRO . . . -84.16 -7.74 59.27 Favored 'General case' 0 C--O 1.255 1.35 0 CA-C-O 113.619 -3.086 . . . . 2.92 114.825 -179.722 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 13' ' ' TYR . 3.1 mttm -64.71 -25.17 67.82 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 123.699 2.954 . . . . 15.3 113.682 -177.739 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -163.47 167.93 20.88 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.204 1.401 . . . . 10.96 111.36 -178.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.78 -124.05 22.25 Favored Glycine 0 CA--C 1.541 1.684 1 C-N-CA 130.96 4.124 . . . . 3.95 110.594 178.862 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASP . . . . . 0.461 ' OD1' ' HB2' ' A' ' 21' ' ' ASN . 49.6 t0 -71.88 121.52 84.76 Favored Pre-proline 0 C--N 1.301 -1.53 0 N-CA-C 101.928 -3.36 . . . . 10.63 101.928 176.448 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' PRO . . . . . 0.614 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 72.2 Cg_endo -73.99 -0.64 9.77 Favored 'Trans proline' 0 CA--C 1.508 -0.819 0 O-C-N 126.491 2.837 . . . . 4.85 113.639 -178.537 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . 0.461 ' HB2' ' OD1' ' A' ' 19' ' ' ASP 0.278 75.4 m-20 -107.26 -16.93 14.28 Favored 'General case' 0 N--CA 1.434 -1.235 0 C-N-CA 129.443 3.097 . . . . 17.61 117.063 -176.43 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLN . . . . . 0.43 ' HB3' ' HB3' ' A' ' 60' ' ' GLU . 18.1 mt-30 -130.33 156.73 44.2 Favored 'General case' 0 C--N 1.285 -2.226 1 O-C-N 130.48 4.862 . . . . 14.21 113.156 -176.698 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 60' ' ' GLU . 26.9 mt -93.8 137.99 32.45 Favored 'General case' 0 CA--C 1.555 1.159 0 O-C-N 126.678 2.486 . . . . 3.17 109.29 -179.642 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.8 p -92.32 162.44 14.28 Favored 'General case' 0 C--N 1.286 -2.155 0 C-N-CA 131.613 3.965 . . . . 3.87 101.373 174.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -60.46 -36.67 78.82 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.586 -1.264 . . . . 17.17 107.586 177.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 8.2 mm-40 -64.87 -43.18 93.77 Favored 'General case' 0 C--O 1.25 1.128 0 C-N-CA 127.38 2.272 . . . . 30.44 116.985 -177.757 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -69.55 -38.04 77.3 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 110.864 -2.88 . . . . 8.23 109.547 177.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.8 tp -67.16 -38.81 86.1 Favored 'General case' 0 C--O 1.247 0.949 0 CA-C-O 123.641 1.686 . . . . 2.43 107.812 177.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . 0.639 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 38.8 tttp -62.91 -46.96 85.37 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 125.67 2.652 . . . . 15.53 110.64 -179.634 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 26' ' ' GLU 0.327 4.2 tp -58.74 -47.04 85.99 Favored 'General case' 0 C--O 1.266 1.949 0 CA-C-N 111.832 -2.44 . . . . 9.58 108.568 179.626 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . 0.521 HD23 ' C ' ' A' ' 31' ' ' LEU . 8.2 tt -60.73 -51.9 67.38 Favored 'General case' 0 C--O 1.206 -1.198 0 O-C-N 118.935 -2.353 . . . . 4.63 111.968 -179.289 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . 0.732 ' HB3' HD23 ' A' ' 40' ' ' LEU . 13.9 mt -59.05 -50.04 75.6 Favored 'General case' 0 C--O 1.264 1.834 0 O-C-N 127.302 2.876 . . . . 8.5 112.708 -176.429 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLN . . . . . 0.691 ' O ' ' HG3' ' A' ' 37' ' ' PRO 0.306 5.7 pt20 -69.78 -41.72 74.74 Favored 'General case' 0 C--O 1.269 2.129 0 C-N-CA 114.233 -2.987 . . . . 20.33 111.506 -179.226 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 m -68.64 -48.57 63.69 Favored 'General case' 0 N--CA 1.496 1.859 0 CA-C-N 121.42 1.918 . . . . 13.61 114.554 -178.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -89.82 -49.17 6.78 Favored 'General case' 0 C--O 1.26 1.647 0 CA-C-O 115.384 -2.246 . . . . 12.97 115.373 -177.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PHE . . . . . 0.501 ' CE2' HG23 ' A' ' 73' ' ' ILE . 9.9 m-85 -126.99 68.39 71.58 Favored Pre-proline 0 C--O 1.265 1.92 0 CA-C-N 122.578 2.444 . . . . 14.92 117.226 -179.623 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' PRO . . . . . 0.691 ' HG3' ' O ' ' A' ' 33' ' ' GLN 0.259 51.5 Cg_exo -48.18 -34.22 23.49 Favored 'Trans proline' 0 C--O 1.274 2.295 0 C-N-CA 124.379 3.386 . . . . 16.98 120.795 179.866 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 94.1 p -87.42 -1.45 57.93 Favored 'General case' 0 C--O 1.267 1.992 0 CA-C-N 125.619 3.827 . . . . 25.09 112.971 -179.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LEU . . . . . 0.483 HD11 HG13 ' A' ' 73' ' ' ILE . 1.0 OUTLIER -72.28 -39.88 68.02 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 116.394 -2.122 . . . . 21.65 105.457 -177.873 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . 0.732 HD23 ' HB3' ' A' ' 32' ' ' LEU 0.284 1.0 OUTLIER -87.32 -2.97 59.0 Favored 'General case' 0 C--O 1.26 1.607 1 O-C-N 130.34 4.775 . . . . 27.47 113.532 -176.819 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -118.86 50.16 1.23 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 120.159 1.345 . . . . 35.59 109.352 176.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -117.01 -152.2 9.57 Favored Glycine 0 N--CA 1.481 1.645 1 CA-C-O 113.221 -4.1 . . . . 19.59 107.495 -179.446 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.06 -23.26 18.51 Favored 'Trans proline' 0 C--O 1.253 1.263 0 O-C-N 128.417 3.851 . . . . 12.32 115.587 -179.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.4 m -94.41 154.5 17.42 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 125.596 1.81 . . . . 16.91 110.622 -179.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' THR . . . . . 0.965 ' H ' ' HG2' ' A' ' 48' ' ' GLU . 20.6 p -94.06 164.93 12.88 Favored 'General case' 0 C--O 1.252 1.208 0 N-CA-C 102.599 -3.111 . . . . 11.76 102.599 175.848 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tp -57.61 -41.41 81.23 Favored 'General case' 0 C--N 1.309 -1.159 0 C-N-CA 119.895 -0.722 . . . . 14.66 109.619 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.87 -47.62 77.04 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 126.692 2.495 . . . . 22.96 109.487 179.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLU . . . . . 0.965 ' HG2' ' H ' ' A' ' 45' ' ' THR 0.328 10.9 pt-20 -71.12 -28.92 64.65 Favored 'General case' 0 C--O 1.251 1.133 0 O-C-N 127.914 3.259 . . . . 20.61 112.417 -177.46 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.45 -43.06 67.37 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 106.01 -1.848 . . . . 13.62 106.01 176.482 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -53.96 -47.4 71.36 Favored 'General case' 0 C--N 1.316 -0.889 0 C-N-CA 124.588 1.155 . . . . 12.18 112.066 176.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -62.28 -44.21 97.04 Favored 'General case' 0 C--N 1.314 -0.941 0 O-C-N 119.508 -1.995 . . . . 32.08 111.556 -179.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.06 -49.32 78.14 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 113.839 -1.528 . . . . 19.25 107.785 -178.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LEU . . . . . 0.472 HD11 HD22 ' A' ' 69' ' ' LEU 0.335 17.4 mt -69.83 -47.22 63.56 Favored 'General case' 0 C--O 1.254 1.332 0 CA-C-O 116.28 -1.819 . . . . 8.99 111.551 -179.1 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -67.35 90.74 0.24 Allowed 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 124.194 3.179 . . . . 7.97 111.851 179.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . 0.417 ' HD2' ' HG2' ' A' ' 65' ' ' GLU . 2.6 mptt -67.22 -56.98 7.59 Favored 'General case' 0 C--O 1.271 2.192 0 O-C-N 121.201 -0.937 . . . . 16.04 108.984 179.284 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . 0.377 3.2 p30 -66.11 -51.39 58.4 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 115.159 -2.616 . . . . 13.61 112.86 179.468 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.88 24.8 5.91 Favored Glycine 0 N--CA 1.487 2.075 0 CA-C-N 122.009 2.186 . . . . 12.84 108.076 -179.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.2 p-10 -87.05 4.88 40.25 Favored 'General case' 0 C--O 1.253 1.28 0 O-C-N 128.373 3.043 . . . . 10.79 111.325 178.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLY . . . . . 0.417 ' C ' ' HG2' ' A' ' 60' ' ' GLU . . . 78.56 5.49 88.06 Favored Glycine 0 C--O 1.223 -0.551 0 C-N-CA 125.129 1.347 . . . . 7.13 115.962 179.031 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -129.8 153.73 47.95 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.516 1.15 . . . . 13.2 110.188 179.457 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 61' ' ' VAL . . . . . 0.423 ' HB ' ' HB2' ' A' ' 23' ' ' LEU . 10.7 t -115.69 114.64 46.87 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 N-CA-C 102.251 -3.24 . . . . 3.17 102.251 177.902 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.5 p -85.28 175.44 8.91 Favored 'General case' 0 C--N 1.288 -2.095 0 O-C-N 126.616 2.447 . . . . 10.68 105.794 175.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -67.04 -37.81 84.75 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 125.215 1.572 . . . . 9.39 111.599 -178.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLU . . . . . 0.66 ' HA ' ' NE2' ' A' ' 67' ' ' GLN . 58.9 mm-40 -63.88 -42.77 97.41 Favored 'General case' 0 C--O 1.255 1.372 0 CA-C-O 116.677 -1.63 . . . . 28.17 109.839 178.874 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLU . . . . . 0.417 ' HG2' ' HD2' ' A' ' 55' ' ' LYS . 62.6 mt-10 -64.85 -38.1 89.84 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 125.811 1.945 . . . . 8.1 110.499 178.248 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -60.6 -31.45 70.61 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 125.772 1.629 . . . . 11.56 109.785 178.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLN . . . . . 0.66 ' NE2' ' HA ' ' A' ' 64' ' ' GLU 0.373 4.1 mt-30 -49.75 -46.81 50.93 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 115.457 -2.211 . . . . 30.25 109.881 -178.964 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . 0.455 ' C ' ' O ' ' A' ' 67' ' ' GLN . 2.7 t -33.82 -65.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.272 2.258 1 CA-C-N 126.908 4.413 . . . . 20.31 115.018 175.944 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LEU . . . . . 0.472 HD22 HD11 ' A' ' 53' ' ' LEU 0.254 6.3 tp -50.78 -39.25 52.04 Favored 'General case' 0 C--N 1.3 -1.552 1 O-C-N 115.89 -4.256 . . . . 20.97 113.739 -179.067 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 70' ' ' VAL . . . . . 0.639 ' HA ' HD12 ' A' ' 73' ' ' ILE . 52.5 t -43.24 -36.08 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 119.688 -1.882 . . . . 27.64 111.008 -176.329 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LYS . . . . . 0.556 ' O ' ' HB2' ' A' ' 75' ' ' GLN . 10.4 tttp -60.61 -40.35 91.49 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 123.356 1.551 . . . . 31.11 110.188 -177.842 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -74.73 -36.56 62.66 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 114.494 -1.23 . . . . 39.45 109.922 178.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 70' ' ' VAL . 18.3 mt -62.64 -50.3 80.34 Favored 'Isoleucine or valine' 0 C--O 1.255 1.371 0 CA-C-O 123.445 1.593 . . . . 34.0 110.209 179.17 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.4 m -70.29 -21.4 62.95 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-N 113.443 -1.708 . . . . 39.92 111.16 -179.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLN . . . . . 0.556 ' HB2' ' O ' ' A' ' 71' ' ' LYS . 3.6 tp-100 . . . . . 0 C--O 1.268 2.052 0 N-CA-C 116.345 1.98 . . . . 55.26 116.345 -178.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 78' ' ' SO4 . . . . . 0.406 ' O1 ' ' HD2' ' A' ' 37' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.648 ' HB3' ' CD ' ' A' ' 5' ' ' GLU . 1.2 mtmm . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 123.206 1.479 . . . . 24.879999999999999 111.497 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . 0.498 ' HB2' ' CD ' ' A' ' 3' ' ' PRO . 60.2 p -69.56 163.08 62.45 Favored Pre-proline 0 N--CA 1.468 0.436 0 CA-C-N 112.999 -1.91 . . . . 14.91 108.968 179.224 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.498 ' CD ' ' HB2' ' A' ' 2' ' ' SER . 34.0 Cg_exo -61.69 -35.71 78.73 Favored 'Trans proline' 0 N--CA 1.444 -1.39 0 O-C-N 127.095 3.155 . . . . 10.44 111.576 -179.696 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -69.59 -31.31 69.39 Favored 'General case' 0 C--O 1.262 1.732 0 O-C-N 124.758 1.286 . . . . 16.120000000000001 112.006 -178.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.648 ' CD ' ' HB3' ' A' ' 1' ' ' LYS . 46.0 tt0 -74.02 -40.91 62.55 Favored 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 126.908 2.083 . . . . 18.5 109.076 177.676 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 6' ' ' LEU . 38.0 mt -66.22 -39.02 89.3 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 125.217 1.573 . . . . 12.48 109.703 177.194 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 11.9 tttt -62.72 -31.22 72.1 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-O 122.658 1.218 . . . . 18.48 108.551 -179.57 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.57 -49.68 67.58 Favored Glycine 0 C--N 1.295 -1.724 0 CA-C-N 114.196 -1.366 . . . . 5.6399999999999997 111.473 179.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 10' ' ' PHE . 60.1 mt -66.05 -57.79 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 127.757 2.423 . . . . 5.3700000000000001 105.729 179.026 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 9' ' ' ILE . 52.3 t80 -40.56 -55.71 2.26 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 108.797 -0.816 . . . . 8.1799999999999997 108.797 177.136 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 6.8 mt-10 -53.81 -43.24 69.21 Favored 'General case' 0 C--O 1.258 1.515 0 N-CA-C 120.245 3.424 . . . . 25.379999999999999 120.245 -177.738 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -57.89 -43.13 85.89 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 109.853 -0.425 . . . . 16.73 109.853 176.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.436 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 97.8 m-85 -76.23 -55.43 5.58 Favored 'General case' 0 C--O 1.254 1.317 0 N-CA-C 115.188 1.551 . . . . 8.0 115.188 -178.598 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.34 -30.97 1.43 Allowed 'General case' 0 C--O 1.282 2.778 0 N-CA-C 116.586 2.069 . . . . 3.8100000000000001 116.586 179.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.614 ' HA ' ' HA ' ' A' ' 20' ' ' PRO . . . -84.16 -7.74 59.27 Favored 'General case' 0 C--O 1.255 1.35 0 CA-C-O 113.619 -3.086 . . . . 2.9199999999999999 114.825 -179.722 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 13' ' ' TYR . 3.1 mttm -64.71 -25.17 67.82 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 123.699 2.954 . . . . 15.300000000000001 113.682 -177.739 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -163.47 167.93 20.88 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.204 1.401 . . . . 10.960000000000001 111.36 -178.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.78 -124.05 22.25 Favored Glycine 0 CA--C 1.541 1.684 1 C-N-CA 130.96 4.124 . . . . 3.9500000000000002 110.594 178.862 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.461 ' OD1' ' HB2' ' A' ' 21' ' ' ASN . 49.6 t0 -71.88 121.52 84.76 Favored Pre-proline 0 C--N 1.301 -1.53 0 N-CA-C 101.928 -3.36 . . . . 10.630000000000001 101.928 176.448 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.614 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 72.2 Cg_endo -73.99 -0.64 9.77 Favored 'Trans proline' 0 CA--C 1.508 -0.819 0 O-C-N 126.491 2.837 . . . . 4.8499999999999996 113.639 -178.537 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.461 ' HB2' ' OD1' ' A' ' 19' ' ' ASP 0.278 75.4 m-20 -107.26 -16.93 14.28 Favored 'General case' 0 N--CA 1.434 -1.235 0 C-N-CA 129.443 3.097 . . . . 17.609999999999999 117.063 -176.43 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.43 ' HB3' ' HB3' ' A' ' 60' ' ' GLU . 18.1 mt-30 -130.33 156.73 44.2 Favored 'General case' 0 C--N 1.285 -2.226 1 O-C-N 130.48 4.862 . . . . 14.210000000000001 113.156 -176.698 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 60' ' ' GLU . 26.9 mt -93.8 137.99 32.45 Favored 'General case' 0 CA--C 1.555 1.159 0 O-C-N 126.678 2.486 . . . . 3.1699999999999999 109.29 -179.642 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.8 p -92.32 162.44 14.28 Favored 'General case' 0 C--N 1.286 -2.155 0 C-N-CA 131.613 3.965 . . . . 3.8700000000000001 101.373 174.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -60.46 -36.67 78.82 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.586 -1.264 . . . . 17.170000000000002 107.586 177.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 30' ' ' LEU . 8.2 mm-40 -64.87 -43.18 93.77 Favored 'General case' 0 C--O 1.25 1.128 0 C-N-CA 127.38 2.272 . . . . 30.440000000000001 116.985 -177.757 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -69.55 -38.04 77.3 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 110.864 -2.88 . . . . 8.2300000000000004 109.547 177.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.8 tp -67.16 -38.81 86.1 Favored 'General case' 0 C--O 1.247 0.949 0 CA-C-O 123.641 1.686 . . . . 2.4300000000000002 107.812 177.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.639 ' O ' ' HG2' ' A' ' 33' ' ' GLN . 38.8 tttp -62.91 -46.96 85.37 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 125.67 2.652 . . . . 15.529999999999999 110.64 -179.634 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 26' ' ' GLU 0.327 4.2 tp -58.74 -47.04 85.99 Favored 'General case' 0 C--O 1.266 1.949 0 CA-C-N 111.832 -2.44 . . . . 9.5800000000000001 108.568 179.626 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.521 ' C ' HD23 ' A' ' 31' ' ' LEU . 8.2 tt -60.73 -51.9 67.38 Favored 'General case' 0 C--O 1.206 -1.198 0 O-C-N 118.935 -2.353 . . . . 4.6299999999999999 111.968 -179.289 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.732 ' HB3' HD23 ' A' ' 40' ' ' LEU . 13.9 mt -59.05 -50.04 75.6 Favored 'General case' 0 C--O 1.264 1.834 0 O-C-N 127.302 2.876 . . . . 8.5 112.708 -176.429 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.691 ' O ' ' HG3' ' A' ' 37' ' ' PRO 0.306 5.7 pt20 -69.78 -41.72 74.74 Favored 'General case' 0 C--O 1.269 2.129 0 C-N-CA 114.233 -2.987 . . . . 20.329999999999998 111.506 -179.226 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 m -68.64 -48.57 63.69 Favored 'General case' 0 N--CA 1.496 1.859 0 CA-C-N 121.42 1.918 . . . . 13.609999999999999 114.554 -178.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -89.82 -49.17 6.78 Favored 'General case' 0 C--O 1.26 1.647 0 CA-C-O 115.384 -2.246 . . . . 12.970000000000001 115.373 -177.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.501 ' CE2' HG23 ' A' ' 73' ' ' ILE . 9.9 m-85 -126.99 68.39 71.58 Favored Pre-proline 0 C--O 1.265 1.92 0 CA-C-N 122.578 2.444 . . . . 14.92 117.226 -179.623 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.691 ' HG3' ' O ' ' A' ' 33' ' ' GLN 0.259 51.5 Cg_exo -48.18 -34.22 23.49 Favored 'Trans proline' 0 C--O 1.274 2.295 0 C-N-CA 124.379 3.386 . . . . 16.98 120.795 179.866 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 94.1 p -87.42 -1.45 57.93 Favored 'General case' 0 C--O 1.267 1.992 0 CA-C-N 125.619 3.827 . . . . 25.09 112.971 -179.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.483 HD11 HG13 ' A' ' 73' ' ' ILE . 1.0 OUTLIER -72.28 -39.88 68.02 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 116.394 -2.122 . . . . 21.649999999999999 105.457 -177.873 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.732 HD23 ' HB3' ' A' ' 32' ' ' LEU 0.284 1.0 OUTLIER -87.32 -2.97 59.0 Favored 'General case' 0 C--O 1.26 1.607 1 O-C-N 130.34 4.775 . . . . 27.469999999999999 113.532 -176.819 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -118.86 50.16 1.23 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 120.159 1.345 . . . . 35.590000000000003 109.352 176.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -117.01 -152.2 9.57 Favored Glycine 0 N--CA 1.481 1.645 1 CA-C-O 113.221 -4.1 . . . . 19.59 107.495 -179.446 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.06 -23.26 18.51 Favored 'Trans proline' 0 C--O 1.253 1.263 0 O-C-N 128.417 3.851 . . . . 12.32 115.587 -179.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.4 m -94.41 154.5 17.42 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 125.596 1.81 . . . . 16.91 110.622 -179.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' THR . . . . . 0.965 ' H ' ' HG2' ' A' ' 48' ' ' GLU . 20.6 p -94.06 164.93 12.88 Favored 'General case' 0 C--O 1.252 1.208 0 N-CA-C 102.599 -3.111 . . . . 11.76 102.599 175.848 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tp -57.61 -41.41 81.23 Favored 'General case' 0 C--N 1.309 -1.159 0 C-N-CA 119.895 -0.722 . . . . 14.66 109.619 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.87 -47.62 77.04 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 126.692 2.495 . . . . 22.960000000000001 109.487 179.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.965 ' HG2' ' H ' ' A' ' 45' ' ' THR 0.328 10.9 pt-20 -71.12 -28.92 64.65 Favored 'General case' 0 C--O 1.251 1.133 0 O-C-N 127.914 3.259 . . . . 20.609999999999999 112.417 -177.46 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.45 -43.06 67.37 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 106.01 -1.848 . . . . 13.619999999999999 106.01 176.482 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -53.96 -47.4 71.36 Favored 'General case' 0 C--N 1.316 -0.889 0 C-N-CA 124.588 1.155 . . . . 12.18 112.066 176.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -62.28 -44.21 97.04 Favored 'General case' 0 C--N 1.314 -0.941 0 O-C-N 119.508 -1.995 . . . . 32.079999999999998 111.556 -179.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.06 -49.32 78.14 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 113.839 -1.528 . . . . 19.25 107.785 -178.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.472 HD11 HD22 ' A' ' 69' ' ' LEU 0.335 17.4 mt -69.83 -47.22 63.56 Favored 'General case' 0 C--O 1.254 1.332 0 CA-C-O 116.28 -1.819 . . . . 8.9900000000000002 111.551 -179.1 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -67.35 90.74 0.24 Allowed 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 124.194 3.179 . . . . 7.9699999999999998 111.851 179.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.417 ' HD2' ' HG2' ' A' ' 65' ' ' GLU . 2.6 mptt -67.22 -56.98 7.59 Favored 'General case' 0 C--O 1.271 2.192 0 O-C-N 121.201 -0.937 . . . . 16.039999999999999 108.984 179.284 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . 0.377 3.2 p30 -66.11 -51.39 58.4 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 115.159 -2.616 . . . . 13.609999999999999 112.86 179.468 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 108.88 24.8 5.91 Favored Glycine 0 N--CA 1.487 2.075 0 CA-C-N 122.009 2.186 . . . . 12.84 108.076 -179.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.2 p-10 -87.05 4.88 40.25 Favored 'General case' 0 C--O 1.253 1.28 0 O-C-N 128.373 3.043 . . . . 10.789999999999999 111.325 178.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.417 ' C ' ' HG2' ' A' ' 60' ' ' GLU . . . 78.56 5.49 88.06 Favored Glycine 0 C--O 1.223 -0.551 0 C-N-CA 125.129 1.347 . . . . 7.1299999999999999 115.962 179.031 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -129.8 153.73 47.95 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.516 1.15 . . . . 13.199999999999999 110.188 179.457 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.423 ' HB ' ' HB2' ' A' ' 23' ' ' LEU . 10.7 t -115.69 114.64 46.87 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 N-CA-C 102.251 -3.24 . . . . 3.1699999999999999 102.251 177.902 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.5 p -85.28 175.44 8.91 Favored 'General case' 0 C--N 1.288 -2.095 0 O-C-N 126.616 2.447 . . . . 10.68 105.794 175.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -67.04 -37.81 84.75 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 125.215 1.572 . . . . 9.3900000000000006 111.599 -178.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.66 ' HA ' ' NE2' ' A' ' 67' ' ' GLN . 58.9 mm-40 -63.88 -42.77 97.41 Favored 'General case' 0 C--O 1.255 1.372 0 CA-C-O 116.677 -1.63 . . . . 28.170000000000002 109.839 178.874 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.417 ' HG2' ' HD2' ' A' ' 55' ' ' LYS . 62.6 mt-10 -64.85 -38.1 89.84 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 125.811 1.945 . . . . 8.0999999999999996 110.499 178.248 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -60.6 -31.45 70.61 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 125.772 1.629 . . . . 11.56 109.785 178.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.66 ' NE2' ' HA ' ' A' ' 64' ' ' GLU 0.373 4.1 mt-30 -49.75 -46.81 50.93 Favored 'General case' 0 N--CA 1.491 1.606 0 CA-C-O 115.457 -2.211 . . . . 30.25 109.881 -178.964 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.455 ' C ' ' O ' ' A' ' 67' ' ' GLN . 2.7 t -33.82 -65.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.272 2.258 1 CA-C-N 126.908 4.413 . . . . 20.309999999999999 115.018 175.944 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.472 HD22 HD11 ' A' ' 53' ' ' LEU 0.254 6.3 tp -50.78 -39.25 52.04 Favored 'General case' 0 C--N 1.3 -1.552 1 O-C-N 115.89 -4.256 . . . . 20.969999999999999 113.739 -179.067 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.639 ' HA ' HD12 ' A' ' 73' ' ' ILE . 52.5 t -43.24 -36.08 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 119.688 -1.882 . . . . 27.640000000000001 111.008 -176.329 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.556 ' O ' ' HB2' ' A' ' 75' ' ' GLN . 10.4 tttp -60.61 -40.35 91.49 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 123.356 1.551 . . . . 31.109999999999999 110.188 -177.842 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -74.73 -36.56 62.66 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 114.494 -1.23 . . . . 39.450000000000003 109.922 178.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 70' ' ' VAL . 18.3 mt -62.64 -50.3 80.34 Favored 'Isoleucine or valine' 0 C--O 1.255 1.371 0 CA-C-O 123.445 1.593 . . . . 34.0 110.209 179.17 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.4 m -70.29 -21.4 62.95 Favored 'General case' 0 C--O 1.243 0.757 0 CA-C-N 113.443 -1.708 . . . . 39.920000000000002 111.16 -179.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.556 ' HB2' ' O ' ' A' ' 71' ' ' LYS . 3.6 tp-100 . . . . . 0 C--O 1.268 2.052 0 N-CA-C 116.345 1.98 . . . . 55.259999999999998 116.345 -178.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' SO4 . . . . . 0.406 ' O1 ' ' HD2' ' A' ' 37' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_