data_6nv1_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 6nv1 _Structure_validation_residue.Date_analyzed 2020-01-10 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 ' 24' ' ' ASP . . . . . . . . . . . . . 66.0 t0 . . . . . 0 CA--C 1.517 -0.326 0 N-CA-C 109.35 -0.611 . . . . 71.310000000000002 109.35 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -58.21 -34.78 98.91 Favored 'Trans proline' 0 C--O 1.239 0.554 0 O-C-N 123.658 1.346 . . . . 51.5 113.688 -176.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.6 tp -65.8 -45.61 81.73 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 119.421 -0.912 . . . . 45.609999999999999 110.375 177.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.82 -39.4 93.53 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.071 -0.651 . . . . 41.170000000000002 110.755 178.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.02 -50.34 80.48 Favored 'Isoleucine or valine' 0 C--O 1.242 0.676 0 CA-C-O 121.03 0.443 . . . . 45.07 110.563 179.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.63 -38.53 85.09 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.626 -0.261 . . . . 41.909999999999997 111.465 177.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.54 -36.94 79.5 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 119.984 -0.686 . . . . 37.600000000000001 111.258 179.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -65.73 -49.15 69.49 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.971 -0.456 . . . . 40.240000000000002 111.237 177.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.2 mt -56.81 -47.01 83.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 C-N-CA 120.468 -0.493 . . . . 36.640000000000001 110.676 175.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 23.3 mt -66.05 -34.64 71.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 122.22 -0.3 . . . . 37.450000000000003 111.436 -176.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.92 -41.24 88.42 Favored Glycine 0 C--O 1.243 0.673 0 C-N-CA 119.626 -1.273 . . . . 36.329999999999998 112.179 178.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -58.58 -47.82 87.44 Favored 'Isoleucine or valine' 0 C--O 1.246 0.871 0 CA-C-O 121.742 0.782 . . . . 39.229999999999997 110.453 173.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.3 tp -60.63 -38.99 86.62 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 115.798 -0.637 . . . . 40.670000000000002 112.46 178.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -64.45 -44.33 91.47 Favored 'General case' 0 C--N 1.343 0.306 0 O-C-N 122.383 -0.198 . . . . 40.140000000000001 110.648 -179.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.4 tp -61.21 -44.48 97.21 Favored 'General case' 0 C--O 1.245 0.856 0 C-N-CA 119.23 -0.988 . . . . 36.649999999999999 111.296 176.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 76.9 mt -56.98 -51.09 73.22 Favored 'Isoleucine or valine' 0 C--O 1.244 0.787 0 CA-C-O 121.424 0.63 . . . . 39.350000000000001 110.149 178.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.7 mt -65.92 -39.28 90.4 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.215 -0.448 . . . . 40.060000000000002 112.03 -174.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 61.3 t90 -67.94 -43.25 79.52 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.869 -0.732 . . . . 39.299999999999997 111.893 178.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.7 mt -59.81 -45.08 95.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 C-N-CA 119.219 -0.992 . . . . 41.170000000000002 110.351 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.3 mt -65.08 -35.27 80.6 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.003 -0.679 . . . . 48.149999999999999 112.018 179.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -69.66 -39.07 77.27 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 121.54 -0.725 . . . . 58.049999999999997 111.297 178.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -70.75 -35.91 72.88 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 118.254 -1.378 . . . . 53.770000000000003 110.92 178.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 75.2 mt -72.46 -29.66 63.87 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 112.264 0.468 . . . . 50.829999999999998 112.264 176.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.006 0 CA-C-N 116.608 -0.269 . . . . 47.380000000000003 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 66.0 t0 . . . . . 0 CA--C 1.523 -0.07 0 CA-C-O 120.859 0.361 . . . . 60.229999999999997 111.746 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -59.51 -34.83 96.96 Favored 'Trans proline' 0 CA--C 1.515 -0.471 0 O-C-N 122.817 0.903 . . . . 51.25 112.836 177.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 63.8 tp -64.6 -46.04 84.39 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 118.232 0.469 . . . . 46.32 111.396 178.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.55 -41.32 98.45 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.471 -0.492 . . . . 44.189999999999998 111.365 178.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.19 -48.19 88.77 Favored 'Isoleucine or valine' 0 C--O 1.246 0.892 0 CA-C-O 120.746 0.308 . . . . 42.609999999999999 110.985 178.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.86 -40.74 94.05 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 120.014 -0.674 . . . . 33.539999999999999 110.978 179.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.49 -35.28 77.3 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.485 -0.486 . . . . 33.82 111.895 178.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 22.4 m -63.81 -48.41 76.97 Favored 'General case' 0 C--O 1.244 0.78 0 O-C-N 121.542 -0.724 . . . . 35.439999999999998 110.723 177.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 95.2 mt -57.42 -40.47 74.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-O 121.314 0.578 . . . . 36.719999999999999 110.024 176.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 14.4 mm -66.05 -37.55 80.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 O-C-N 121.969 -0.457 . . . . 40.539999999999999 110.171 -178.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.05 -42.32 77.67 Favored Glycine 0 C--O 1.237 0.302 0 C-N-CA 119.79 -1.195 . . . . 33.310000000000002 112.226 -179.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 92.6 mt -60.03 -47.68 90.87 Favored 'Isoleucine or valine' 0 C--O 1.243 0.748 0 C-N-CA 119.641 -0.824 . . . . 33.810000000000002 109.73 175.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.57 -36.96 77.23 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.527 -0.469 . . . . 37.840000000000003 111.703 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -66.28 -45.74 79.44 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 122.222 -0.299 . . . . 34.189999999999998 110.944 -178.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 57.7 tp -60.53 -42.62 96.84 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 119.14 -1.024 . . . . 35.859999999999999 110.602 176.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 86.8 mt -59.87 -50.99 78.0 Favored 'Isoleucine or valine' 0 C--N 1.346 0.427 0 C-N-CA 120.169 -0.612 . . . . 40.840000000000003 110.417 179.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.98 -40.67 96.93 Favored 'General case' 0 C--O 1.242 0.659 0 O-C-N 121.944 -0.473 . . . . 37.810000000000002 111.58 -176.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -67.79 -42.13 82.13 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.778 -0.369 . . . . 41.780000000000001 111.394 -178.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 36.5 mt -62.7 -41.91 94.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.636 0 CA-C-O 120.686 0.279 . . . . 39.82 110.257 176.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 78.9 mt -64.57 -34.97 79.5 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 118.013 -1.475 . . . . 45.880000000000003 111.148 177.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -70.87 -38.96 73.14 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.839 -0.744 . . . . 47.509999999999998 111.392 179.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -67.69 -38.36 83.58 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 119.117 -1.033 . . . . 52.899999999999999 110.634 179.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 79.8 mt -72.72 -33.23 66.29 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.846 0.355 . . . . 52.140000000000001 110.55 176.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 116.584 -0.28 . . . . 38.289999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t70 . . . . . 0 C--O 1.227 -0.105 0 N-CA-C 111.739 0.274 . . . . 71.769999999999996 111.739 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -62.7 -36.85 60.66 Favored 'Trans proline' 0 C--O 1.237 0.469 0 O-C-N 122.799 0.894 . . . . 62.899999999999999 114.196 179.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 61.5 tp -63.33 -43.85 96.57 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 118.214 0.461 . . . . 52.689999999999998 110.845 179.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.76 97.93 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 120.781 -0.367 . . . . 50.380000000000003 111.031 177.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.31 -48.6 88.18 Favored 'Isoleucine or valine' 0 C--O 1.244 0.782 0 CA-C-O 121.384 0.612 . . . . 49.619999999999997 110.195 179.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.35 -40.92 96.05 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.273 -0.421 . . . . 42.280000000000001 111.53 178.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.66 -37.06 81.85 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 118.764 -1.175 . . . . 38.82 111.069 -178.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 30.3 m -65.08 -48.34 74.05 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-O 121.071 0.462 . . . . 40.840000000000003 111.686 177.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 80.6 mt -58.62 -41.18 81.41 Favored 'Isoleucine or valine' 0 C--O 1.244 0.8 0 C-N-CA 118.934 -1.106 . . . . 41.759999999999998 110.215 176.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 22.5 mm -66.43 -39.72 84.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 O-C-N 122.033 -0.417 . . . . 50.039999999999999 110.779 -176.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.02 -41.61 80.9 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 119.823 -1.18 . . . . 36.380000000000003 113.049 179.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.48 -48.42 87.29 Favored 'Isoleucine or valine' 0 C--O 1.249 1.045 0 C-N-CA 119.952 -0.699 . . . . 37.210000000000001 110.096 176.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.39 -35.77 78.42 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 122.117 -0.364 . . . . 38.719999999999999 111.24 177.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -65.22 -48.46 73.27 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.62 0.248 . . . . 34.039999999999999 111.213 -178.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.4 -43.59 98.61 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 119.942 -0.703 . . . . 33.399999999999999 111.061 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 89.0 mt -59.57 -51.15 76.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 C-N-CA 118.926 -1.11 . . . . 39.969999999999999 110.665 179.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.11 -36.22 83.32 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 119.666 -0.814 . . . . 36.920000000000002 110.713 -175.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -66.2 -41.19 90.52 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 118.965 -1.094 . . . . 36.869999999999997 110.729 178.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 20.2 mt -60.68 -43.07 94.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 C-N-CA 120.199 -0.6 . . . . 37.509999999999998 110.629 176.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.16 -34.1 77.27 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 112.244 0.461 . . . . 41.270000000000003 112.244 -179.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -72.37 -36.69 68.8 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.154 -0.618 . . . . 46.469999999999999 111.184 176.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -69.06 -34.06 74.57 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 119.732 -0.787 . . . . 60.130000000000003 111.391 176.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 74.3 mt -69.89 -36.32 75.34 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.244 -0.583 . . . . 56.850000000000001 111.37 178.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.835 -0.166 . . . . 44.090000000000003 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 63.8 t0 . . . . . 0 C--O 1.222 -0.381 0 N-CA-C 111.884 0.327 . . . . 69.629999999999995 111.884 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -60.91 -35.75 86.62 Favored 'Trans proline' 0 C--O 1.238 0.479 0 O-C-N 123.032 1.017 . . . . 47.439999999999998 114.21 -179.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 61.0 tp -66.54 -44.44 82.41 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 119.848 -0.741 . . . . 41.869999999999997 110.889 -179.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.19 -40.09 96.51 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 119.991 -0.684 . . . . 42.969999999999999 110.958 177.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.92 -51.35 73.03 Favored 'Isoleucine or valine' 0 C--O 1.245 0.858 0 CA-C-O 121.244 0.545 . . . . 40.359999999999999 110.911 179.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.08 -41.24 92.02 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 116.449 -0.341 . . . . 37.770000000000003 111.391 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.19 -37.17 80.65 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 120.211 -0.596 . . . . 41.079999999999998 111.261 -178.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 42.6 m -64.48 -47.85 77.39 Favored 'General case' 0 C--O 1.244 0.776 0 C-N-CA 120.052 -0.659 . . . . 38.719999999999999 111.216 176.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -55.81 -43.85 75.49 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 C-N-CA 120.198 -0.601 . . . . 42.770000000000003 110.435 176.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 31.8 mt -69.32 -36.0 70.21 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 CA-C-N 116.399 -0.364 . . . . 40.670000000000002 111.542 -175.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.13 -41.32 87.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 119.357 -1.402 . . . . 36.0 111.863 176.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.98 -48.7 87.85 Favored 'Isoleucine or valine' 0 C--O 1.246 0.886 0 C-N-CA 119.907 -0.717 . . . . 38.659999999999997 110.857 175.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 45.3 tp -61.64 -37.73 85.07 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 121.686 -0.634 . . . . 37.039999999999999 111.718 177.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 20.0 t-160 -63.41 -45.49 90.78 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 122.025 -0.422 . . . . 37.460000000000001 110.359 -178.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 50.1 tp -61.93 -44.59 96.46 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 119.26 -0.976 . . . . 44.109999999999999 111.008 176.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 77.6 mt -57.4 -50.94 75.36 Favored 'Isoleucine or valine' 0 C--O 1.244 0.778 0 C-N-CA 119.875 -0.73 . . . . 35.710000000000001 110.833 179.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 91.2 mt -67.12 -38.99 86.55 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 122.249 -0.282 . . . . 36.229999999999997 111.372 -175.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -65.3 -44.27 88.47 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 119.382 -0.927 . . . . 39.109999999999999 111.008 -179.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 28.7 mt -60.72 -46.1 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 C-N-CA 119.759 -0.777 . . . . 40.75 110.295 178.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.52 -34.18 77.23 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 119.015 -1.074 . . . . 38.009999999999998 111.595 -178.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -70.13 -36.32 74.71 Favored 'General case' 0 CA--C 1.512 -0.499 0 C-N-CA 119.052 -1.059 . . . . 51.0 111.472 177.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -68.4 -34.57 76.26 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.466 -0.894 . . . . 50.350000000000001 110.955 179.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 84.8 mt -67.56 -36.03 80.17 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 122.895 0.478 . . . . 43.259999999999998 110.088 178.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.255 -0.429 . . . . 37.630000000000003 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 24' ' ' ASP . . . . . . . . . . . . . 62.2 t0 . . . . . 0 C--O 1.22 -0.49 0 N-CA-C 107.628 -1.249 . . . . 65.810000000000002 107.628 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 25' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -58.37 -33.61 97.95 Favored 'Trans proline' 0 C--O 1.242 0.71 0 N-CA-C 114.065 0.756 . . . . 43.920000000000002 114.065 -176.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 59.2 tp -66.28 -47.59 73.16 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 118.399 0.545 . . . . 40.909999999999997 111.582 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.98 -42.22 97.3 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 119.523 -0.871 . . . . 37.789999999999999 111.176 179.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 91.4 t -65.21 -49.98 76.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-O 120.793 0.33 . . . . 39.329999999999998 110.934 -178.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.89 81.13 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 120.042 -0.663 . . . . 35.18 110.998 177.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.72 -35.18 78.32 Favored 'General case' 0 C--O 1.238 0.471 0 O-C-N 121.848 -0.533 . . . . 36.020000000000003 111.508 179.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 31' ' ' SER . . . . . . . . . . . . . 24.6 m -65.89 -49.41 68.17 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-O 121.329 0.585 . . . . 36.450000000000003 111.365 175.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 94.4 mt -57.97 -43.22 84.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 C-N-CA 119.652 -0.819 . . . . 40.920000000000002 110.628 177.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 33' ' ' ILE . . . . . . . . . . . . . 20.5 mt -67.41 -35.03 72.31 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 O-C-N 121.994 -0.441 . . . . 42.049999999999997 111.321 -176.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.21 -41.4 86.41 Favored Glycine 0 C--O 1.242 0.655 0 C-N-CA 119.764 -1.207 . . . . 39.109999999999999 112.626 176.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 35' ' ' ILE . . . . . . . . . . . . . 92.1 mt -59.58 -47.18 91.91 Favored 'Isoleucine or valine' 0 C--O 1.245 0.824 0 CA-C-O 121.742 0.782 . . . . 37.939999999999998 110.102 174.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.45 -37.49 86.09 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 112.593 0.59 . . . . 35.600000000000001 112.593 177.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 37' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -59.65 -49.9 75.96 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.347 -0.612 . . . . 39.82 109.347 -179.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 38' ' ' LEU . . . . . . . . . . . . . 62.8 tp -61.24 -45.4 94.69 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 115.89 -0.595 . . . . 38.950000000000003 111.684 178.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -57.26 -48.78 81.71 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 C-N-CA 120.149 -0.62 . . . . 36.0 110.179 177.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 40' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.76 -40.45 92.07 Favored 'General case' 0 C--N 1.342 0.271 0 N-CA-C 112.202 0.445 . . . . 37.520000000000003 112.202 -176.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 41' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -67.91 -42.01 81.75 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.07 -0.652 . . . . 41.840000000000003 111.346 178.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 42' ' ' ILE . . . . . . . . . . . . . 35.3 mt -59.46 -44.26 92.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 C-N-CA 119.295 -0.962 . . . . 45.770000000000003 110.19 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 89.3 mt -66.32 -38.25 87.26 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 112.177 0.436 . . . . 50.799999999999997 112.177 -178.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 44' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -70.3 -38.82 75.05 Favored 'General case' 0 C--O 1.238 0.468 0 O-C-N 121.826 -0.546 . . . . 60.939999999999998 111.413 -179.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -71.55 -37.44 71.09 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 119.578 -0.849 . . . . 77.590000000000003 111.015 179.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 46' ' ' LEU . . . . . . . . . . . . . 76.6 mt -70.82 -44.07 67.3 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 112.243 0.46 . . . . 60.68 112.243 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.757 -0.202 . . . . 56.689999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.365 0.126 . . . . 66.980000000000004 110.819 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 25' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -60.91 -35.68 87.03 Favored 'Trans proline' 0 C--O 1.235 0.352 0 O-C-N 122.898 0.946 . . . . 52.68 114.093 -178.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 26' ' ' LEU . . . . . . . . . . . . . 54.5 tp -65.7 -47.7 74.53 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 118.699 0.681 . . . . 50.640000000000001 111.782 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.51 -38.93 91.13 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 120.146 -0.622 . . . . 46.649999999999999 110.873 179.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 28' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.47 -49.18 83.74 Favored 'Isoleucine or valine' 0 C--O 1.247 0.927 0 C-N-CA 119.951 -0.7 . . . . 43.659999999999997 110.732 178.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.79 -41.42 91.13 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 120.0 -0.68 . . . . 38.43 110.801 179.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.86 -35.77 79.12 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 120.718 -0.393 . . . . 39.039999999999999 111.883 -179.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 31' ' ' SER . . . . . . . . . . . . . 23.1 m -64.17 -48.26 76.64 Favored 'General case' 0 C--O 1.245 0.851 0 C-N-CA 120.171 -0.612 . . . . 37.149999999999999 110.495 178.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 98.6 mt -57.46 -42.48 80.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 C-N-CA 119.958 -0.697 . . . . 42.049999999999997 110.353 175.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 33' ' ' ILE . . . . . . . . . . . . . 10.6 mm -65.04 -37.14 79.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 O-C-N 121.982 -0.449 . . . . 47.729999999999997 111.239 -177.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.48 -42.37 64.29 Favored Glycine 0 C--O 1.237 0.323 0 C-N-CA 119.812 -1.185 . . . . 38.619999999999997 112.738 178.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 35' ' ' ILE . . . . . . . . . . . . . 95.3 mt -57.9 -47.69 85.76 Favored 'Isoleucine or valine' 0 C--O 1.249 1.063 0 CA-C-O 121.647 0.737 . . . . 39.329999999999998 109.492 174.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 36' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.76 -39.41 88.66 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 115.887 -0.597 . . . . 41.759999999999998 111.858 177.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 37' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -58.31 -51.81 68.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.995 -0.548 . . . . 39.960000000000001 110.281 179.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 38' ' ' LEU . . . . . . . . . . . . . 64.1 tp -58.51 -45.15 89.38 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 116.277 -0.42 . . . . 34.649999999999999 110.951 179.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 39' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.13 -49.8 82.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 CA-C-O 121.346 0.593 . . . . 39.119999999999997 110.766 -179.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 40' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.33 -38.14 90.0 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.335 -0.546 . . . . 34.030000000000001 110.365 -178.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 41' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -67.29 -42.79 83.16 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.637 -0.825 . . . . 43.960000000000001 111.143 -177.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 42' ' ' ILE . . . . . . . . . . . . . 55.2 mt -61.99 -44.19 98.61 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 C-N-CA 120.606 -0.437 . . . . 44.210000000000001 110.414 176.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 43' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.74 -33.97 76.83 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 117.96 -1.496 . . . . 47.25 111.476 179.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 44' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -72.68 -38.45 67.57 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 118.979 -1.088 . . . . 53.759999999999998 112.018 178.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 45' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -69.87 -37.14 75.99 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 118.387 -1.325 . . . . 77.939999999999998 111.219 -179.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 46' ' ' LEU . . . . . . . . . . . . . 82.7 mt -70.92 -71.33 0.26 Allowed 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.528 -0.545 . . . . 63.689999999999998 109.528 176.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.112 0 CA-C-N 116.646 -0.252 . . . . 59.490000000000002 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 24' ' ' ASP . . . . . . . . . . . . . 66.1 t0 . . . . . 0 CA--C 1.519 -0.235 0 N-CA-C 112.134 0.42 . . . . 72.140000000000001 112.134 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 25' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -61.83 -35.26 79.57 Favored 'Trans proline' 0 CA--C 1.515 -0.432 0 O-C-N 122.81 0.9 . . . . 62.25 113.047 178.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . 66.3 tp -65.9 -43.77 87.25 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.535 -0.466 . . . . 48.490000000000002 111.461 178.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.51 96.9 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 119.712 -0.795 . . . . 46.810000000000002 110.628 177.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 28' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.5 -48.09 90.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-O 121.203 0.525 . . . . 42.780000000000001 110.417 177.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.32 98.09 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 121.786 -0.571 . . . . 40.609999999999999 111.662 179.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.59 -37.01 76.76 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.988 -0.685 . . . . 35.82 111.157 -177.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 31' ' ' SER . . . . . . . . . . . . . 45.4 m -64.74 -46.73 80.98 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 111.968 0.359 . . . . 39.770000000000003 111.968 176.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -56.86 -42.86 79.01 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 CA-C-O 121.094 0.473 . . . . 35.979999999999997 110.112 175.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 33' ' ' ILE . . . . . . . . . . . . . 13.8 mm -66.26 -36.61 77.81 Favored 'Isoleucine or valine' 0 C--N 1.342 0.242 0 CA-C-O 120.918 0.39 . . . . 42.689999999999998 110.397 -178.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.91 -42.76 68.36 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 119.022 -1.561 . . . . 36.350000000000001 112.922 -179.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 35' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.25 -48.6 88.18 Favored 'Isoleucine or valine' 0 C--O 1.246 0.913 0 C-N-CA 118.882 -1.127 . . . . 34.030000000000001 110.341 176.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 36' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.36 -37.08 79.58 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 119.837 -0.745 . . . . 37.789999999999999 111.292 178.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 37' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -61.02 -51.98 66.92 Favored 'General case' 0 C--N 1.331 -0.197 0 O-C-N 124.162 0.914 . . . . 37.890000000000001 110.935 -179.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 38' ' ' LEU . . . . . . . . . . . . . 53.7 tp -60.03 -43.29 95.4 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 120.203 -0.599 . . . . 37.579999999999998 110.892 179.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.07 -50.69 79.51 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 C-N-CA 120.011 -0.676 . . . . 33.32 110.17 -179.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 40' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.36 -34.38 78.18 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.857 -0.737 . . . . 35.039999999999999 110.978 -177.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 41' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -68.1 -43.57 78.16 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 118.978 -1.089 . . . . 35.780000000000001 111.165 179.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 42' ' ' ILE . . . . . . . . . . . . . 39.9 mt -60.99 -43.17 95.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 CA-C-O 120.96 0.409 . . . . 39.829999999999998 110.54 176.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 43' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.68 -34.29 77.95 Favored 'General case' 0 C--O 1.238 0.455 0 O-C-N 122.118 -0.364 . . . . 41.100000000000001 111.527 179.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 44' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -70.65 -36.42 73.39 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 118.889 -1.124 . . . . 49.240000000000002 110.546 175.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 45' ' ' ARG . . . . . 0.522 ' NH2' ' O ' ' G' ' 201' ' ' HOH . 6.7 mmp_? -68.51 -37.6 80.2 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 120.249 -0.58 . . . . 58.719999999999999 111.824 179.956 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' G' G ' 46' ' ' LEU . . . . . . . . . . . . . 91.7 mt -70.87 -29.67 65.84 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 122.76 0.424 . . . . 55.869999999999997 111.947 179.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 47.560000000000002 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 24' ' ' ASP . . . . . . . . . . . . . 28.9 t70 . . . . . 0 CA--C 1.517 -0.316 0 N-CA-C 111.746 0.276 . . . . 61.32 111.746 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 25' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -59.47 -34.45 97.19 Favored 'Trans proline' 0 CA--C 1.51 -0.693 0 O-C-N 123.662 1.348 . . . . 43.5 113.399 -177.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 26' ' ' LEU . . . . . . . . . . . . . 63.5 tp -65.49 -43.5 89.98 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.8 -0.76 . . . . 41.369999999999997 110.545 177.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.03 -42.4 99.77 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.475 -0.49 . . . . 34.880000000000003 110.893 178.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 28' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.71 -50.64 78.92 Favored 'Isoleucine or valine' 0 C--O 1.244 0.775 0 CA-C-O 121.138 0.494 . . . . 36.490000000000002 110.274 -179.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.26 87.74 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 120.715 -0.394 . . . . 34.920000000000002 110.933 178.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.0 -37.11 83.62 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 119.598 -0.841 . . . . 35.039999999999999 111.058 -177.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 31' ' ' SER . . . . . . . . . . . . . 34.7 m -64.9 -51.15 63.5 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 121.178 0.513 . . . . 35.969999999999999 112.154 176.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -56.91 -39.94 68.63 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 C-N-CA 119.402 -0.919 . . . . 40.07 109.942 177.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 33' ' ' ILE . . . . . . . . . . . . . 12.8 mm -67.39 -40.23 84.24 Favored 'Isoleucine or valine' 0 C--N 1.344 0.336 0 O-C-N 122.341 -0.224 . . . . 40.82 111.327 -176.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.39 -39.93 91.58 Favored Glycine 0 C--N 1.334 0.424 0 C-N-CA 120.128 -1.034 . . . . 41.670000000000002 111.84 179.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 35' ' ' ILE . . . . . . . . . . . . . 98.9 mt -60.47 -50.24 81.14 Favored 'Isoleucine or valine' 0 C--O 1.244 0.79 0 CA-C-O 121.359 0.6 . . . . 44.189999999999998 111.153 175.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 36' ' ' LEU . . . . . . . . . . . . . 40.3 tp -61.18 -35.99 78.65 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.933 -0.707 . . . . 36.689999999999998 111.128 178.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 37' ' ' HIS . . . . . 0.578 ' ND1' ' O ' ' H' ' 201' ' ' HOH . 17.1 t-160 -64.02 -46.08 86.08 Favored 'General case' 0 CA--C 1.518 -0.285 0 O-C-N 122.23 -0.294 . . . . 41.729999999999997 110.619 -178.16 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' H' H ' 38' ' ' LEU . . . . . . . . . . . . . 58.7 tp -63.12 -45.6 91.2 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.499 -0.88 . . . . 37.310000000000002 111.355 177.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 39' ' ' ILE . . . . . . . . . . . . . 73.9 mt -59.26 -50.8 78.51 Favored 'Isoleucine or valine' 0 C--O 1.245 0.839 0 C-N-CA 119.293 -0.963 . . . . 36.799999999999997 110.964 -179.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 40' ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.19 -38.16 89.61 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 120.929 -0.309 . . . . 35.240000000000002 111.126 -176.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 41' ' ' TRP . . . . . . . . . . . . . 84.0 t90 -67.24 -42.13 84.48 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 119.177 -1.009 . . . . 39.68 110.719 -179.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 42' ' ' ILE . . . . . . . . . . . . . 26.1 mt -61.74 -46.39 96.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 C-N-CA 119.523 -0.871 . . . . 40.340000000000003 110.649 176.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 43' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.88 -35.5 80.22 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 118.545 -1.262 . . . . 42.539999999999999 111.208 -178.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 44' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -70.08 -37.17 75.37 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.245 -0.582 . . . . 53.990000000000002 111.829 177.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 45' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -69.21 -35.99 76.79 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 118.493 -1.283 . . . . 63.5 110.422 179.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 46' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.75 -28.2 64.51 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.252 -0.647 . . . . 49.880000000000003 109.252 177.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.643 -0.708 . . . . 43.149999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' OLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' E01 . . . . . 0.5 ' C1 ' ' O ' ' A' ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' OLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 101' ' ' OLC . . . . . 0.703 ' O20' ' O25' ' D' ' 101' ' ' OLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 101' ' ' OLC . . . . . 0.693 ' O25' ' O20' ' E' ' 101' ' ' OLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 102' ' ' OLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 101' ' ' OLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 102' ' ' E01 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 101' ' ' OLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 101' ' ' OLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 102' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . 0.5 ' O ' ' C1 ' ' A' ' 102' ' ' E01 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 201' ' ' HOH . . . . . 0.522 ' O ' ' NH2' ' G' ' 45' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 201' ' ' HOH . . . . . 0.578 ' O ' ' ND1' ' H' ' 37' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 202' ' ' HOH . . . . . 0.45 ' O ' ' NE2' ' H' ' 37' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.0 t0 . . . . . 0 CA--C 1.517 -0.326 0 N-CA-C 109.35 -0.611 . . . . 71.31 109.35 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -58.21 -34.78 98.91 Favored 'Trans proline' 0 C--O 1.239 0.554 0 O-C-N 123.658 1.346 . . . . 51.5 113.688 -176.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.6 tp -65.8 -45.61 81.73 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 119.421 -0.912 . . . . 45.61 110.375 177.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.82 -39.4 93.53 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.071 -0.651 . . . . 41.17 110.755 178.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.02 -50.34 80.48 Favored 'Isoleucine or valine' 0 C--O 1.242 0.676 0 CA-C-O 121.03 0.443 . . . . 45.07 110.563 179.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.63 -38.53 85.09 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.626 -0.261 . . . . 41.91 111.465 177.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.54 -36.94 79.5 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 119.984 -0.686 . . . . 37.6 111.258 179.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -65.73 -49.15 69.49 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.971 -0.456 . . . . 40.24 111.237 177.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.2 mt -56.81 -47.01 83.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 C-N-CA 120.468 -0.493 . . . . 36.64 110.676 175.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . 0.539 HG23 HD22 ' B' ' 38' ' ' LEU . 23.3 mt -66.05 -34.64 71.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 122.22 -0.3 . . . . 37.45 111.436 -176.491 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.92 -41.24 88.42 Favored Glycine 0 C--O 1.243 0.673 0 C-N-CA 119.626 -1.273 . . . . 36.33 112.179 178.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -58.58 -47.82 87.44 Favored 'Isoleucine or valine' 0 C--O 1.246 0.871 0 CA-C-O 121.742 0.782 . . . . 39.23 110.453 173.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.3 tp -60.63 -38.99 86.62 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 115.798 -0.637 . . . . 40.67 112.46 178.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -64.45 -44.33 91.47 Favored 'General case' 0 C--N 1.343 0.306 0 O-C-N 122.383 -0.198 . . . . 40.14 110.648 -179.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . 0.463 HD22 HG23 ' D' ' 33' ' ' ILE . 61.4 tp -61.21 -44.48 97.21 Favored 'General case' 0 C--O 1.245 0.856 0 C-N-CA 119.23 -0.988 . . . . 36.65 111.296 176.1 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 76.9 mt -56.98 -51.09 73.22 Favored 'Isoleucine or valine' 0 C--O 1.244 0.787 0 CA-C-O 121.424 0.63 . . . . 39.35 110.149 178.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.7 mt -65.92 -39.28 90.4 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.215 -0.448 . . . . 40.06 112.03 -174.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 61.3 t90 -67.94 -43.25 79.52 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.869 -0.732 . . . . 39.3 111.893 178.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.7 mt -59.81 -45.08 95.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 C-N-CA 119.219 -0.992 . . . . 41.17 110.351 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.3 mt -65.08 -35.27 80.6 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.003 -0.679 . . . . 48.15 112.018 179.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -69.66 -39.07 77.27 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 121.54 -0.725 . . . . 58.05 111.297 178.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . 0.435 HH11 ' HA ' ' A' ' 45' ' ' ARG . 9.4 mmm180 -70.75 -35.91 72.88 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 118.254 -1.378 . . . . 53.77 110.92 178.954 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 75.2 mt -72.46 -29.66 63.87 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 112.264 0.468 . . . . 50.83 112.264 176.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.006 0 CA-C-N 116.608 -0.269 . . . . 47.38 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 66.0 t0 . . . . . 0 CA--C 1.523 -0.07 0 CA-C-O 120.859 0.361 . . . . 60.23 111.746 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -59.51 -34.83 96.96 Favored 'Trans proline' 0 CA--C 1.515 -0.471 0 O-C-N 122.817 0.903 . . . . 51.25 112.836 177.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 63.8 tp -64.6 -46.04 84.39 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 118.232 0.469 . . . . 46.32 111.396 178.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.55 -41.32 98.45 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.471 -0.492 . . . . 44.19 111.365 178.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.19 -48.19 88.77 Favored 'Isoleucine or valine' 0 C--O 1.246 0.892 0 CA-C-O 120.746 0.308 . . . . 42.61 110.985 178.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ALA . . . . . 0.405 ' O ' HG12 ' B' ' 33' ' ' ILE . . . -60.86 -40.74 94.05 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 120.014 -0.674 . . . . 33.54 110.978 179.552 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.49 -35.28 77.3 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.485 -0.486 . . . . 33.82 111.895 178.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 22.4 m -63.81 -48.41 76.97 Favored 'General case' 0 C--O 1.244 0.78 0 O-C-N 121.542 -0.724 . . . . 35.44 110.723 177.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 95.2 mt -57.42 -40.47 74.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-O 121.314 0.578 . . . . 36.72 110.024 176.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ILE . . . . . 0.405 HG12 ' O ' ' B' ' 29' ' ' ALA . 14.4 mm -66.05 -37.55 80.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 O-C-N 121.969 -0.457 . . . . 40.54 110.171 -178.449 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.05 -42.32 77.67 Favored Glycine 0 C--O 1.237 0.302 0 C-N-CA 119.79 -1.195 . . . . 33.31 112.226 -179.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 92.6 mt -60.03 -47.68 90.87 Favored 'Isoleucine or valine' 0 C--O 1.243 0.748 0 C-N-CA 119.641 -0.824 . . . . 33.81 109.73 175.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.57 -36.96 77.23 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.527 -0.469 . . . . 37.84 111.703 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -66.28 -45.74 79.44 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 122.222 -0.299 . . . . 34.19 110.944 -178.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' LEU . . . . . 0.539 HD22 HG23 ' A' ' 33' ' ' ILE . 57.7 tp -60.53 -42.62 96.84 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 119.14 -1.024 . . . . 35.86 110.602 176.2 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 86.8 mt -59.87 -50.99 78.0 Favored 'Isoleucine or valine' 0 C--N 1.346 0.427 0 C-N-CA 120.169 -0.612 . . . . 40.84 110.417 179.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.98 -40.67 96.93 Favored 'General case' 0 C--O 1.242 0.659 0 O-C-N 121.944 -0.473 . . . . 37.81 111.58 -176.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -67.79 -42.13 82.13 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.778 -0.369 . . . . 41.78 111.394 -178.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 36.5 mt -62.7 -41.91 94.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.636 0 CA-C-O 120.686 0.279 . . . . 39.82 110.257 176.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 78.9 mt -64.57 -34.97 79.5 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 118.013 -1.475 . . . . 45.88 111.148 177.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -70.87 -38.96 73.14 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.839 -0.744 . . . . 47.51 111.392 179.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -67.69 -38.36 83.58 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 119.117 -1.033 . . . . 52.9 110.634 179.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 79.8 mt -72.72 -33.23 66.29 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.846 0.355 . . . . 52.14 110.55 176.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 116.584 -0.28 . . . . 38.29 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t70 . . . . . 0 C--O 1.227 -0.105 0 N-CA-C 111.739 0.274 . . . . 71.77 111.739 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -62.7 -36.85 60.66 Favored 'Trans proline' 0 C--O 1.237 0.469 0 O-C-N 122.799 0.894 . . . . 62.9 114.196 179.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 61.5 tp -63.33 -43.85 96.57 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 118.214 0.461 . . . . 52.69 110.845 179.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.76 97.93 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 120.781 -0.367 . . . . 50.38 111.031 177.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.31 -48.6 88.18 Favored 'Isoleucine or valine' 0 C--O 1.244 0.782 0 CA-C-O 121.384 0.612 . . . . 49.62 110.195 179.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 29' ' ' ALA . . . . . 0.562 ' O ' HG12 ' C' ' 33' ' ' ILE . . . -61.35 -40.92 96.05 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.273 -0.421 . . . . 42.28 111.53 178.466 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.66 -37.06 81.85 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 118.764 -1.175 . . . . 38.82 111.069 -178.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 30.3 m -65.08 -48.34 74.05 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-O 121.071 0.462 . . . . 40.84 111.686 177.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 80.6 mt -58.62 -41.18 81.41 Favored 'Isoleucine or valine' 0 C--O 1.244 0.8 0 C-N-CA 118.934 -1.106 . . . . 41.76 110.215 176.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 33' ' ' ILE . . . . . 0.562 HG12 ' O ' ' C' ' 29' ' ' ALA . 22.5 mm -66.43 -39.72 84.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 O-C-N 122.033 -0.417 . . . . 50.04 110.779 -176.802 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.02 -41.61 80.9 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 119.823 -1.18 . . . . 36.38 113.049 179.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.48 -48.42 87.29 Favored 'Isoleucine or valine' 0 C--O 1.249 1.045 0 C-N-CA 119.952 -0.699 . . . . 37.21 110.096 176.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.39 -35.77 78.42 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 122.117 -0.364 . . . . 38.72 111.24 177.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 37' ' ' HIS . . . . . 0.405 ' CG ' HD13 ' D' ' 38' ' ' LEU . 19.1 t-160 -65.22 -48.46 73.27 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.62 0.248 . . . . 34.04 111.213 -178.559 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.4 -43.59 98.61 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 119.942 -0.703 . . . . 33.4 111.061 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 89.0 mt -59.57 -51.15 76.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 C-N-CA 118.926 -1.11 . . . . 39.97 110.665 179.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.11 -36.22 83.32 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 119.666 -0.814 . . . . 36.92 110.713 -175.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -66.2 -41.19 90.52 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 118.965 -1.094 . . . . 36.87 110.729 178.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 20.2 mt -60.68 -43.07 94.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 C-N-CA 120.199 -0.6 . . . . 37.51 110.629 176.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.16 -34.1 77.27 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 112.244 0.461 . . . . 41.27 112.244 -179.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -72.37 -36.69 68.8 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.154 -0.618 . . . . 46.47 111.184 176.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -69.06 -34.06 74.57 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 119.732 -0.787 . . . . 60.13 111.391 176.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 74.3 mt -69.89 -36.32 75.34 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.244 -0.583 . . . . 56.85 111.37 178.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.835 -0.166 . . . . 44.09 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 63.8 t0 . . . . . 0 C--O 1.222 -0.381 0 N-CA-C 111.884 0.327 . . . . 69.63 111.884 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -60.91 -35.75 86.62 Favored 'Trans proline' 0 C--O 1.238 0.479 0 O-C-N 123.032 1.017 . . . . 47.44 114.21 -179.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 61.0 tp -66.54 -44.44 82.41 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 119.848 -0.741 . . . . 41.87 110.889 -179.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.19 -40.09 96.51 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 119.991 -0.684 . . . . 42.97 110.958 177.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.92 -51.35 73.03 Favored 'Isoleucine or valine' 0 C--O 1.245 0.858 0 CA-C-O 121.244 0.545 . . . . 40.36 110.911 179.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.08 -41.24 92.02 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 116.449 -0.341 . . . . 37.77 111.391 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.19 -37.17 80.65 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 120.211 -0.596 . . . . 41.08 111.261 -178.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 42.6 m -64.48 -47.85 77.39 Favored 'General case' 0 C--O 1.244 0.776 0 C-N-CA 120.052 -0.659 . . . . 38.72 111.216 176.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -55.81 -43.85 75.49 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 C-N-CA 120.198 -0.601 . . . . 42.77 110.435 176.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 33' ' ' ILE . . . . . 0.463 HG23 HD22 ' A' ' 38' ' ' LEU . 31.8 mt -69.32 -36.0 70.21 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 CA-C-N 116.399 -0.364 . . . . 40.67 111.542 -175.149 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.13 -41.32 87.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 119.357 -1.402 . . . . 36.0 111.863 176.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.98 -48.7 87.85 Favored 'Isoleucine or valine' 0 C--O 1.246 0.886 0 C-N-CA 119.907 -0.717 . . . . 38.66 110.857 175.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 45.3 tp -61.64 -37.73 85.07 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 121.686 -0.634 . . . . 37.04 111.718 177.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 20.0 t-160 -63.41 -45.49 90.78 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 122.025 -0.422 . . . . 37.46 110.359 -178.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 38' ' ' LEU . . . . . 0.405 HD13 ' CG ' ' C' ' 37' ' ' HIS . 50.1 tp -61.93 -44.59 96.46 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 119.26 -0.976 . . . . 44.11 111.008 176.127 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 77.6 mt -57.4 -50.94 75.36 Favored 'Isoleucine or valine' 0 C--O 1.244 0.778 0 C-N-CA 119.875 -0.73 . . . . 35.71 110.833 179.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 91.2 mt -67.12 -38.99 86.55 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 122.249 -0.282 . . . . 36.23 111.372 -175.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 41' ' ' TRP . . . . . 0.501 ' CZ3' ' H24' ' D' ' 101' ' ' OLC . 75.4 t90 -65.3 -44.27 88.47 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 119.382 -0.927 . . . . 39.11 111.008 -179.616 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 28.7 mt -60.72 -46.1 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 C-N-CA 119.759 -0.777 . . . . 40.75 110.295 178.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.52 -34.18 77.23 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 119.015 -1.074 . . . . 38.01 111.595 -178.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -70.13 -36.32 74.71 Favored 'General case' 0 CA--C 1.512 -0.499 0 C-N-CA 119.052 -1.059 . . . . 51.0 111.472 177.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -68.4 -34.57 76.26 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.466 -0.894 . . . . 50.35 110.955 179.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 84.8 mt -67.56 -36.03 80.17 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 122.895 0.478 . . . . 43.26 110.088 178.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 47' ' ' NH2 . . . . . 0.501 ' N ' ' HG2' ' E' ' 25' ' ' PRO . . . . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.255 -0.429 . . . . 37.63 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 24' ' ' ASP . . . . . . . . . . . . . 62.2 t0 . . . . . 0 C--O 1.22 -0.49 0 N-CA-C 107.628 -1.249 . . . . 65.81 107.628 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 25' ' ' PRO . . . . . 0.501 ' HG2' ' N ' ' D' ' 47' ' ' NH2 . 51.4 Cg_exo -58.37 -33.61 97.95 Favored 'Trans proline' 0 C--O 1.242 0.71 0 N-CA-C 114.065 0.756 . . . . 43.92 114.065 -176.876 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 59.2 tp -66.28 -47.59 73.16 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 118.399 0.545 . . . . 40.91 111.582 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.98 -42.22 97.3 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 119.523 -0.871 . . . . 37.79 111.176 179.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 91.4 t -65.21 -49.98 76.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-O 120.793 0.33 . . . . 39.33 110.934 -178.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.89 81.13 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 120.042 -0.663 . . . . 35.18 110.998 177.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.72 -35.18 78.32 Favored 'General case' 0 C--O 1.238 0.471 0 O-C-N 121.848 -0.533 . . . . 36.02 111.508 179.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 31' ' ' SER . . . . . . . . . . . . . 24.6 m -65.89 -49.41 68.17 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-O 121.329 0.585 . . . . 36.45 111.365 175.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 94.4 mt -57.97 -43.22 84.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 C-N-CA 119.652 -0.819 . . . . 40.92 110.628 177.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 33' ' ' ILE . . . . . 0.602 HG23 HD22 ' F' ' 38' ' ' LEU . 20.5 mt -67.41 -35.03 72.31 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 O-C-N 121.994 -0.441 . . . . 42.05 111.321 -176.94 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.21 -41.4 86.41 Favored Glycine 0 C--O 1.242 0.655 0 C-N-CA 119.764 -1.207 . . . . 39.11 112.626 176.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 35' ' ' ILE . . . . . . . . . . . . . 92.1 mt -59.58 -47.18 91.91 Favored 'Isoleucine or valine' 0 C--O 1.245 0.824 0 CA-C-O 121.742 0.782 . . . . 37.94 110.102 174.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.45 -37.49 86.09 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 112.593 0.59 . . . . 35.6 112.593 177.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 37' ' ' HIS . . . . . 0.452 ' HD2' ' O ' ' E' ' 201' ' ' HOH . 0.7 OUTLIER -59.65 -49.9 75.96 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.347 -0.612 . . . . 39.82 109.347 -179.998 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' E' E ' 38' ' ' LEU . . . . . . . . . . . . . 62.8 tp -61.24 -45.4 94.69 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 115.89 -0.595 . . . . 38.95 111.684 178.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -57.26 -48.78 81.71 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 C-N-CA 120.149 -0.62 . . . . 36.0 110.179 177.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 40' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.76 -40.45 92.07 Favored 'General case' 0 C--N 1.342 0.271 0 N-CA-C 112.202 0.445 . . . . 37.52 112.202 -176.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 41' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -67.91 -42.01 81.75 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.07 -0.652 . . . . 41.84 111.346 178.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 42' ' ' ILE . . . . . . . . . . . . . 35.3 mt -59.46 -44.26 92.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 C-N-CA 119.295 -0.962 . . . . 45.77 110.19 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 89.3 mt -66.32 -38.25 87.26 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 112.177 0.436 . . . . 50.8 112.177 -178.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 44' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -70.3 -38.82 75.05 Favored 'General case' 0 C--O 1.238 0.468 0 O-C-N 121.826 -0.546 . . . . 60.94 111.413 -179.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -71.55 -37.44 71.09 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 119.578 -0.849 . . . . 77.59 111.015 179.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 46' ' ' LEU . . . . . . . . . . . . . 76.6 mt -70.82 -44.07 67.3 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 112.243 0.46 . . . . 60.68 112.243 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.757 -0.202 . . . . 56.69 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.365 0.126 . . . . 66.98 110.819 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 25' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -60.91 -35.68 87.03 Favored 'Trans proline' 0 C--O 1.235 0.352 0 O-C-N 122.898 0.946 . . . . 52.68 114.093 -178.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 26' ' ' LEU . . . . . . . . . . . . . 54.5 tp -65.7 -47.7 74.53 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 118.699 0.681 . . . . 50.64 111.782 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.51 -38.93 91.13 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 120.146 -0.622 . . . . 46.65 110.873 179.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 28' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.47 -49.18 83.74 Favored 'Isoleucine or valine' 0 C--O 1.247 0.927 0 C-N-CA 119.951 -0.7 . . . . 43.66 110.732 178.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 29' ' ' ALA . . . . . 0.448 ' HA ' ' H12' ' F' ' 101' ' ' OLC . . . -59.79 -41.42 91.13 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 120.0 -0.68 . . . . 38.43 110.801 179.916 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.86 -35.77 79.12 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 120.718 -0.393 . . . . 39.04 111.883 -179.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 31' ' ' SER . . . . . . . . . . . . . 23.1 m -64.17 -48.26 76.64 Favored 'General case' 0 C--O 1.245 0.851 0 C-N-CA 120.171 -0.612 . . . . 37.15 110.495 178.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 98.6 mt -57.46 -42.48 80.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 C-N-CA 119.958 -0.697 . . . . 42.05 110.353 175.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 33' ' ' ILE . . . . . 0.402 HG23 ' CD2' ' G' ' 38' ' ' LEU . 10.6 mm -65.04 -37.14 79.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 O-C-N 121.982 -0.449 . . . . 47.73 111.239 -177.319 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.48 -42.37 64.29 Favored Glycine 0 C--O 1.237 0.323 0 C-N-CA 119.812 -1.185 . . . . 38.62 112.738 178.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 35' ' ' ILE . . . . . . . . . . . . . 95.3 mt -57.9 -47.69 85.76 Favored 'Isoleucine or valine' 0 C--O 1.249 1.063 0 CA-C-O 121.647 0.737 . . . . 39.33 109.492 174.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 36' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.76 -39.41 88.66 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 115.887 -0.597 . . . . 41.76 111.858 177.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 37' ' ' HIS . . . . . 0.744 ' CD2' ' O ' ' F' ' 201' ' ' HOH . 1.1 t60 -58.31 -51.81 68.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.995 -0.548 . . . . 39.96 110.281 179.96 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 38' ' ' LEU . . . . . 0.602 HD22 HG23 ' E' ' 33' ' ' ILE . 64.1 tp -58.51 -45.15 89.38 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 116.277 -0.42 . . . . 34.65 110.951 179.511 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 39' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.13 -49.8 82.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 CA-C-O 121.346 0.593 . . . . 39.12 110.766 -179.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 40' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.33 -38.14 90.0 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.335 -0.546 . . . . 34.03 110.365 -178.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 41' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -67.29 -42.79 83.16 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.637 -0.825 . . . . 43.96 111.143 -177.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 42' ' ' ILE . . . . . . . . . . . . . 55.2 mt -61.99 -44.19 98.61 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 C-N-CA 120.606 -0.437 . . . . 44.21 110.414 176.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 43' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.74 -33.97 76.83 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 117.96 -1.496 . . . . 47.25 111.476 179.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 44' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -72.68 -38.45 67.57 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 118.979 -1.088 . . . . 53.76 112.018 178.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 45' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -69.87 -37.14 75.99 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 118.387 -1.325 . . . . 77.94 111.219 -179.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 46' ' ' LEU . . . . . . . . . . . . . 82.7 mt -70.92 -71.33 0.26 Allowed 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.528 -0.545 . . . . 63.69 109.528 176.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.112 0 CA-C-N 116.646 -0.252 . . . . 59.49 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 24' ' ' ASP . . . . . . . . . . . . . 66.1 t0 . . . . . 0 CA--C 1.519 -0.235 0 N-CA-C 112.134 0.42 . . . . 72.14 112.134 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 25' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -61.83 -35.26 79.57 Favored 'Trans proline' 0 CA--C 1.515 -0.432 0 O-C-N 122.81 0.9 . . . . 62.25 113.047 178.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . 66.3 tp -65.9 -43.77 87.25 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.535 -0.466 . . . . 48.49 111.461 178.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.51 96.9 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 119.712 -0.795 . . . . 46.81 110.628 177.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 28' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.5 -48.09 90.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-O 121.203 0.525 . . . . 42.78 110.417 177.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.32 98.09 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 121.786 -0.571 . . . . 40.61 111.662 179.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.59 -37.01 76.76 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.988 -0.685 . . . . 35.82 111.157 -177.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 31' ' ' SER . . . . . . . . . . . . . 45.4 m -64.74 -46.73 80.98 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 111.968 0.359 . . . . 39.77 111.968 176.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -56.86 -42.86 79.01 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 CA-C-O 121.094 0.473 . . . . 35.98 110.112 175.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 33' ' ' ILE . . . . . . . . . . . . . 13.8 mm -66.26 -36.61 77.81 Favored 'Isoleucine or valine' 0 C--N 1.342 0.242 0 CA-C-O 120.918 0.39 . . . . 42.69 110.397 -178.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.91 -42.76 68.36 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 119.022 -1.561 . . . . 36.35 112.922 -179.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 35' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.25 -48.6 88.18 Favored 'Isoleucine or valine' 0 C--O 1.246 0.913 0 C-N-CA 118.882 -1.127 . . . . 34.03 110.341 176.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 36' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.36 -37.08 79.58 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 119.837 -0.745 . . . . 37.79 111.292 178.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 37' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -61.02 -51.98 66.92 Favored 'General case' 0 C--N 1.331 -0.197 0 O-C-N 124.162 0.914 . . . . 37.89 110.935 -179.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 38' ' ' LEU . . . . . 0.402 ' CD2' HG23 ' F' ' 33' ' ' ILE . 53.7 tp -60.03 -43.29 95.4 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 120.203 -0.599 . . . . 37.58 110.892 179.501 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' G' G ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.07 -50.69 79.51 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 C-N-CA 120.011 -0.676 . . . . 33.32 110.17 -179.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 40' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.36 -34.38 78.18 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.857 -0.737 . . . . 35.04 110.978 -177.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 41' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -68.1 -43.57 78.16 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 118.978 -1.089 . . . . 35.78 111.165 179.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 42' ' ' ILE . . . . . . . . . . . . . 39.9 mt -60.99 -43.17 95.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 CA-C-O 120.96 0.409 . . . . 39.83 110.54 176.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 43' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.68 -34.29 77.95 Favored 'General case' 0 C--O 1.238 0.455 0 O-C-N 122.118 -0.364 . . . . 41.1 111.527 179.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 44' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -70.65 -36.42 73.39 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 118.889 -1.124 . . . . 49.24 110.546 175.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 45' ' ' ARG . . . . . 0.522 ' NH2' ' O ' ' G' ' 201' ' ' HOH . 6.7 mmp_? -68.51 -37.6 80.2 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 120.249 -0.58 . . . . 58.72 111.824 179.956 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' G' G ' 46' ' ' LEU . . . . . . . . . . . . . 91.7 mt -70.87 -29.67 65.84 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 122.76 0.424 . . . . 55.87 111.947 179.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 47.56 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 24' ' ' ASP . . . . . . . . . . . . . 28.9 t70 . . . . . 0 CA--C 1.517 -0.316 0 N-CA-C 111.746 0.276 . . . . 61.32 111.746 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 25' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -59.47 -34.45 97.19 Favored 'Trans proline' 0 CA--C 1.51 -0.693 0 O-C-N 123.662 1.348 . . . . 43.5 113.399 -177.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 26' ' ' LEU . . . . . . . . . . . . . 63.5 tp -65.49 -43.5 89.98 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.8 -0.76 . . . . 41.37 110.545 177.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.03 -42.4 99.77 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.475 -0.49 . . . . 34.88 110.893 178.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 28' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.71 -50.64 78.92 Favored 'Isoleucine or valine' 0 C--O 1.244 0.775 0 CA-C-O 121.138 0.494 . . . . 36.49 110.274 -179.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.26 87.74 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 120.715 -0.394 . . . . 34.92 110.933 178.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.0 -37.11 83.62 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 119.598 -0.841 . . . . 35.04 111.058 -177.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 31' ' ' SER . . . . . . . . . . . . . 34.7 m -64.9 -51.15 63.5 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 121.178 0.513 . . . . 35.97 112.154 176.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -56.91 -39.94 68.63 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 C-N-CA 119.402 -0.919 . . . . 40.07 109.942 177.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 33' ' ' ILE . . . . . . . . . . . . . 12.8 mm -67.39 -40.23 84.24 Favored 'Isoleucine or valine' 0 C--N 1.344 0.336 0 O-C-N 122.341 -0.224 . . . . 40.82 111.327 -176.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.39 -39.93 91.58 Favored Glycine 0 C--N 1.334 0.424 0 C-N-CA 120.128 -1.034 . . . . 41.67 111.84 179.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 35' ' ' ILE . . . . . . . . . . . . . 98.9 mt -60.47 -50.24 81.14 Favored 'Isoleucine or valine' 0 C--O 1.244 0.79 0 CA-C-O 121.359 0.6 . . . . 44.19 111.153 175.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 36' ' ' LEU . . . . . . . . . . . . . 40.3 tp -61.18 -35.99 78.65 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.933 -0.707 . . . . 36.69 111.128 178.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 37' ' ' HIS . . . . . 1.019 ' HD2' ' O ' ' H' ' 201' ' ' HOH . 0.7 OUTLIER -64.02 -46.08 86.08 Favored 'General case' 0 CA--C 1.518 -0.285 0 O-C-N 122.23 -0.294 . . . . 41.73 110.619 -178.16 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' H' H ' 38' ' ' LEU . . . . . . . . . . . . . 58.7 tp -63.12 -45.6 91.2 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.499 -0.88 . . . . 37.31 111.355 177.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 39' ' ' ILE . . . . . . . . . . . . . 73.9 mt -59.26 -50.8 78.51 Favored 'Isoleucine or valine' 0 C--O 1.245 0.839 0 C-N-CA 119.293 -0.963 . . . . 36.8 110.964 -179.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 40' ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.19 -38.16 89.61 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 120.929 -0.309 . . . . 35.24 111.126 -176.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 41' ' ' TRP . . . . . 0.407 ' O ' ' HG2' ' H' ' 45' ' ' ARG . 84.0 t90 -67.24 -42.13 84.48 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 119.177 -1.009 . . . . 39.68 110.719 -179.107 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 42' ' ' ILE . . . . . . . . . . . . . 26.1 mt -61.74 -46.39 96.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 C-N-CA 119.523 -0.871 . . . . 40.34 110.649 176.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 43' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.88 -35.5 80.22 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 118.545 -1.262 . . . . 42.54 111.208 -178.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 44' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -70.08 -37.17 75.37 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.245 -0.582 . . . . 53.99 111.829 177.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 45' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' H' ' 41' ' ' TRP . 25.7 mmm180 -69.21 -35.99 76.79 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 118.493 -1.283 . . . . 63.5 110.422 179.686 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 46' ' ' LEU . . . . . 0.414 HD11 H11A ' H' ' 101' ' ' OLC . 81.8 mt -70.75 -28.2 64.51 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.252 -0.647 . . . . 49.88 109.252 177.482 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.643 -0.708 . . . . 43.15 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' OLC . . . . . 0.461 ' H2 ' ' O25' ' A' ' 101' ' ' OLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' E01 . . . . . 0.5 ' C1 ' ' O ' ' A' ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' OLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 101' ' ' OLC . . . . . 0.62 ' O20' ' O25' ' D' ' 101' ' ' OLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 101' ' ' OLC . . . . . 0.664 ' O20' ' O25' ' E' ' 101' ' ' OLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 102' ' ' OLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 101' ' ' OLC . . . . . 0.448 ' H12' ' HA ' ' F' ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 102' ' ' E01 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 101' ' ' OLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 101' ' ' OLC . . . . . 0.414 H11A HD11 ' H' ' 46' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 102' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . 0.5 ' O ' ' C1 ' ' A' ' 102' ' ' E01 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 201' ' ' HOH . . . . . 0.452 ' O ' ' HD2' ' E' ' 37' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 201' ' ' HOH . . . . . 0.744 ' O ' ' CD2' ' F' ' 37' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 201' ' ' HOH . . . . . 0.522 ' O ' ' NH2' ' G' ' 45' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 201' ' ' HOH . . . . . 1.019 ' O ' ' HD2' ' H' ' 37' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 202' ' ' HOH . . . . . 0.907 ' O ' ' HE1' ' H' ' 37' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.0 t0 . . . . . 0 CA--C 1.517 -0.326 0 N-CA-C 109.35 -0.611 . . . . 71.31 109.35 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -58.21 -34.78 98.91 Favored 'Trans proline' 0 C--O 1.239 0.554 0 O-C-N 123.658 1.346 . . . . 51.5 113.688 -176.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.6 tp -65.8 -45.61 81.73 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 119.421 -0.912 . . . . 45.61 110.375 177.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.82 -39.4 93.53 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.071 -0.651 . . . . 41.17 110.755 178.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.02 -50.34 80.48 Favored 'Isoleucine or valine' 0 C--O 1.242 0.676 0 CA-C-O 121.03 0.443 . . . . 45.07 110.563 179.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.63 -38.53 85.09 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.626 -0.261 . . . . 41.91 111.465 177.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.54 -36.94 79.5 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 119.984 -0.686 . . . . 37.6 111.258 179.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -65.73 -49.15 69.49 Favored 'General case' 0 C--O 1.248 1.01 0 O-C-N 121.971 -0.456 . . . . 40.24 111.237 177.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.2 mt -56.81 -47.01 83.54 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 C-N-CA 120.468 -0.493 . . . . 36.64 110.676 175.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.539 HG23 HD22 ' B' ' 38' ' ' LEU . 23.3 mt -66.05 -34.64 71.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 122.22 -0.3 . . . . 37.45 111.436 -176.491 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.92 -41.24 88.42 Favored Glycine 0 C--O 1.243 0.673 0 C-N-CA 119.626 -1.273 . . . . 36.33 112.179 178.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -58.58 -47.82 87.44 Favored 'Isoleucine or valine' 0 C--O 1.246 0.871 0 CA-C-O 121.742 0.782 . . . . 39.23 110.453 173.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.3 tp -60.63 -38.99 86.62 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 115.798 -0.637 . . . . 40.67 112.46 178.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -64.45 -44.33 91.47 Favored 'General case' 0 C--N 1.343 0.306 0 O-C-N 122.383 -0.198 . . . . 40.14 110.648 -179.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.463 HD22 HG23 ' D' ' 33' ' ' ILE . 61.4 tp -61.21 -44.48 97.21 Favored 'General case' 0 C--O 1.245 0.856 0 C-N-CA 119.23 -0.988 . . . . 36.65 111.296 176.1 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 76.9 mt -56.98 -51.09 73.22 Favored 'Isoleucine or valine' 0 C--O 1.244 0.787 0 CA-C-O 121.424 0.63 . . . . 39.35 110.149 178.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.7 mt -65.92 -39.28 90.4 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.215 -0.448 . . . . 40.06 112.03 -174.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 61.3 t90 -67.94 -43.25 79.52 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 119.869 -0.732 . . . . 39.3 111.893 178.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.7 mt -59.81 -45.08 95.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 C-N-CA 119.219 -0.992 . . . . 41.17 110.351 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.3 mt -65.08 -35.27 80.6 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.003 -0.679 . . . . 48.15 112.018 179.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -69.66 -39.07 77.27 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 121.54 -0.725 . . . . 58.05 111.297 178.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.435 HH11 ' HA ' ' A' ' 45' ' ' ARG . 9.4 mmm180 -70.75 -35.91 72.88 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 118.254 -1.378 . . . . 53.77 110.92 178.954 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 75.2 mt -72.46 -29.66 63.87 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 112.264 0.468 . . . . 50.83 112.264 176.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.006 0 CA-C-N 116.608 -0.269 . . . . 47.38 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 66.0 t0 . . . . . 0 CA--C 1.523 -0.07 0 CA-C-O 120.859 0.361 . . . . 60.23 111.746 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -59.51 -34.83 96.96 Favored 'Trans proline' 0 CA--C 1.515 -0.471 0 O-C-N 122.817 0.903 . . . . 51.25 112.836 177.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 63.8 tp -64.6 -46.04 84.39 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 118.232 0.469 . . . . 46.32 111.396 178.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.55 -41.32 98.45 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.471 -0.492 . . . . 44.19 111.365 178.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.19 -48.19 88.77 Favored 'Isoleucine or valine' 0 C--O 1.246 0.892 0 CA-C-O 120.746 0.308 . . . . 42.61 110.985 178.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.405 ' O ' HG12 ' B' ' 33' ' ' ILE . . . -60.86 -40.74 94.05 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 120.014 -0.674 . . . . 33.54 110.978 179.552 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.49 -35.28 77.3 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.485 -0.486 . . . . 33.82 111.895 178.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 22.4 m -63.81 -48.41 76.97 Favored 'General case' 0 C--O 1.244 0.78 0 O-C-N 121.542 -0.724 . . . . 35.44 110.723 177.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 95.2 mt -57.42 -40.47 74.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-O 121.314 0.578 . . . . 36.72 110.024 176.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.405 HG12 ' O ' ' B' ' 29' ' ' ALA . 14.4 mm -66.05 -37.55 80.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 O-C-N 121.969 -0.457 . . . . 40.54 110.171 -178.449 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.05 -42.32 77.67 Favored Glycine 0 C--O 1.237 0.302 0 C-N-CA 119.79 -1.195 . . . . 33.31 112.226 -179.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 92.6 mt -60.03 -47.68 90.87 Favored 'Isoleucine or valine' 0 C--O 1.243 0.748 0 C-N-CA 119.641 -0.824 . . . . 33.81 109.73 175.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.57 -36.96 77.23 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.527 -0.469 . . . . 37.84 111.703 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 18.0 t-160 -66.28 -45.74 79.44 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 122.222 -0.299 . . . . 34.19 110.944 -178.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.539 HD22 HG23 ' A' ' 33' ' ' ILE . 57.7 tp -60.53 -42.62 96.84 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 119.14 -1.024 . . . . 35.86 110.602 176.2 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 86.8 mt -59.87 -50.99 78.0 Favored 'Isoleucine or valine' 0 C--N 1.346 0.427 0 C-N-CA 120.169 -0.612 . . . . 40.84 110.417 179.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.98 -40.67 96.93 Favored 'General case' 0 C--O 1.242 0.659 0 O-C-N 121.944 -0.473 . . . . 37.81 111.58 -176.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -67.79 -42.13 82.13 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.778 -0.369 . . . . 41.78 111.394 -178.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 36.5 mt -62.7 -41.91 94.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.636 0 CA-C-O 120.686 0.279 . . . . 39.82 110.257 176.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 78.9 mt -64.57 -34.97 79.5 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 118.013 -1.475 . . . . 45.88 111.148 177.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -70.87 -38.96 73.14 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.839 -0.744 . . . . 47.51 111.392 179.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -67.69 -38.36 83.58 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 119.117 -1.033 . . . . 52.9 110.634 179.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 79.8 mt -72.72 -33.23 66.29 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.846 0.355 . . . . 52.14 110.55 176.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 116.584 -0.28 . . . . 38.29 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 31.2 t70 . . . . . 0 C--O 1.227 -0.105 0 N-CA-C 111.739 0.274 . . . . 71.77 111.739 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -62.7 -36.85 60.66 Favored 'Trans proline' 0 C--O 1.237 0.469 0 O-C-N 122.799 0.894 . . . . 62.9 114.196 179.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 61.5 tp -63.33 -43.85 96.57 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 118.214 0.461 . . . . 52.69 110.845 179.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.76 97.93 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 120.781 -0.367 . . . . 50.38 111.031 177.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.31 -48.6 88.18 Favored 'Isoleucine or valine' 0 C--O 1.244 0.782 0 CA-C-O 121.384 0.612 . . . . 49.62 110.195 179.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.562 ' O ' HG12 ' C' ' 33' ' ' ILE . . . -61.35 -40.92 96.05 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.273 -0.421 . . . . 42.28 111.53 178.466 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.66 -37.06 81.85 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 118.764 -1.175 . . . . 38.82 111.069 -178.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 30.3 m -65.08 -48.34 74.05 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-O 121.071 0.462 . . . . 40.84 111.686 177.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 80.6 mt -58.62 -41.18 81.41 Favored 'Isoleucine or valine' 0 C--O 1.244 0.8 0 C-N-CA 118.934 -1.106 . . . . 41.76 110.215 176.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.562 HG12 ' O ' ' C' ' 29' ' ' ALA . 22.5 mm -66.43 -39.72 84.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 O-C-N 122.033 -0.417 . . . . 50.04 110.779 -176.802 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.02 -41.61 80.9 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 119.823 -1.18 . . . . 36.38 113.049 179.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.48 -48.42 87.29 Favored 'Isoleucine or valine' 0 C--O 1.249 1.045 0 C-N-CA 119.952 -0.699 . . . . 37.21 110.096 176.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.39 -35.77 78.42 Favored 'General case' 0 C--O 1.239 0.526 0 O-C-N 122.117 -0.364 . . . . 38.72 111.24 177.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.405 ' CG ' HD13 ' D' ' 38' ' ' LEU . 19.1 t-160 -65.22 -48.46 73.27 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.62 0.248 . . . . 34.04 111.213 -178.559 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.4 -43.59 98.61 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 119.942 -0.703 . . . . 33.4 111.061 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 89.0 mt -59.57 -51.15 76.09 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 C-N-CA 118.926 -1.11 . . . . 39.97 110.665 179.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.11 -36.22 83.32 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 119.666 -0.814 . . . . 36.92 110.713 -175.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -66.2 -41.19 90.52 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 118.965 -1.094 . . . . 36.87 110.729 178.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 20.2 mt -60.68 -43.07 94.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 C-N-CA 120.199 -0.6 . . . . 37.51 110.629 176.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.16 -34.1 77.27 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 112.244 0.461 . . . . 41.27 112.244 -179.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -72.37 -36.69 68.8 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.154 -0.618 . . . . 46.47 111.184 176.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -69.06 -34.06 74.57 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 119.732 -0.787 . . . . 60.13 111.391 176.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 74.3 mt -69.89 -36.32 75.34 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.244 -0.583 . . . . 56.85 111.37 178.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.835 -0.166 . . . . 44.09 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 63.8 t0 . . . . . 0 C--O 1.222 -0.381 0 N-CA-C 111.884 0.327 . . . . 69.63 111.884 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -60.91 -35.75 86.62 Favored 'Trans proline' 0 C--O 1.238 0.479 0 O-C-N 123.032 1.017 . . . . 47.44 114.21 -179.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 61.0 tp -66.54 -44.44 82.41 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 119.848 -0.741 . . . . 41.87 110.889 -179.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.19 -40.09 96.51 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 119.991 -0.684 . . . . 42.97 110.958 177.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.92 -51.35 73.03 Favored 'Isoleucine or valine' 0 C--O 1.245 0.858 0 CA-C-O 121.244 0.545 . . . . 40.36 110.911 179.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.08 -41.24 92.02 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 116.449 -0.341 . . . . 37.77 111.391 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.19 -37.17 80.65 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 120.211 -0.596 . . . . 41.08 111.261 -178.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 42.6 m -64.48 -47.85 77.39 Favored 'General case' 0 C--O 1.244 0.776 0 C-N-CA 120.052 -0.659 . . . . 38.72 111.216 176.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -55.81 -43.85 75.49 Favored 'Isoleucine or valine' 0 C--O 1.243 0.727 0 C-N-CA 120.198 -0.601 . . . . 42.77 110.435 176.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.463 HG23 HD22 ' A' ' 38' ' ' LEU . 31.8 mt -69.32 -36.0 70.21 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 CA-C-N 116.399 -0.364 . . . . 40.67 111.542 -175.149 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.13 -41.32 87.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 119.357 -1.402 . . . . 36.0 111.863 176.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.98 -48.7 87.85 Favored 'Isoleucine or valine' 0 C--O 1.246 0.886 0 C-N-CA 119.907 -0.717 . . . . 38.66 110.857 175.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 45.3 tp -61.64 -37.73 85.07 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 121.686 -0.634 . . . . 37.04 111.718 177.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 20.0 t-160 -63.41 -45.49 90.78 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 122.025 -0.422 . . . . 37.46 110.359 -178.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.405 HD13 ' CG ' ' C' ' 37' ' ' HIS . 50.1 tp -61.93 -44.59 96.46 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 119.26 -0.976 . . . . 44.11 111.008 176.127 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 77.6 mt -57.4 -50.94 75.36 Favored 'Isoleucine or valine' 0 C--O 1.244 0.778 0 C-N-CA 119.875 -0.73 . . . . 35.71 110.833 179.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 91.2 mt -67.12 -38.99 86.55 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 122.249 -0.282 . . . . 36.23 111.372 -175.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.501 ' CZ3' ' H24' ' D' ' 101' ' ' OLC . 75.4 t90 -65.3 -44.27 88.47 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 119.382 -0.927 . . . . 39.11 111.008 -179.616 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 28.7 mt -60.72 -46.1 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 C-N-CA 119.759 -0.777 . . . . 40.75 110.295 178.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.52 -34.18 77.23 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 119.015 -1.074 . . . . 38.01 111.595 -178.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -70.13 -36.32 74.71 Favored 'General case' 0 CA--C 1.512 -0.499 0 C-N-CA 119.052 -1.059 . . . . 51.0 111.472 177.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -68.4 -34.57 76.26 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.466 -0.894 . . . . 50.35 110.955 179.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 84.8 mt -67.56 -36.03 80.17 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 122.895 0.478 . . . . 43.26 110.088 178.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 47' ' ' NH2 . . . . . 0.501 ' N ' ' HG2' ' E' ' 25' ' ' PRO . . . . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.255 -0.429 . . . . 37.63 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 24' ' ' ASP . . . . . . . . . . . . . 62.2 t0 . . . . . 0 C--O 1.22 -0.49 0 N-CA-C 107.628 -1.249 . . . . 65.81 107.628 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 25' ' ' PRO . . . . . 0.501 ' HG2' ' N ' ' D' ' 47' ' ' NH2 . 51.4 Cg_exo -58.37 -33.61 97.95 Favored 'Trans proline' 0 C--O 1.242 0.71 0 N-CA-C 114.065 0.756 . . . . 43.92 114.065 -176.876 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 26' ' ' LEU . . . . . . . . . . . . . 59.2 tp -66.28 -47.59 73.16 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 118.399 0.545 . . . . 40.91 111.582 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.98 -42.22 97.3 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 119.523 -0.871 . . . . 37.79 111.176 179.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 28' ' ' VAL . . . . . . . . . . . . . 91.4 t -65.21 -49.98 76.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-O 120.793 0.33 . . . . 39.33 110.934 -178.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.89 81.13 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 120.042 -0.663 . . . . 35.18 110.998 177.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.72 -35.18 78.32 Favored 'General case' 0 C--O 1.238 0.471 0 O-C-N 121.848 -0.533 . . . . 36.02 111.508 179.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 31' ' ' SER . . . . . . . . . . . . . 24.6 m -65.89 -49.41 68.17 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-O 121.329 0.585 . . . . 36.45 111.365 175.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 94.4 mt -57.97 -43.22 84.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 C-N-CA 119.652 -0.819 . . . . 40.92 110.628 177.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 33' ' ' ILE . . . . . 0.602 HG23 HD22 ' F' ' 38' ' ' LEU . 20.5 mt -67.41 -35.03 72.31 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 O-C-N 121.994 -0.441 . . . . 42.05 111.321 -176.94 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.21 -41.4 86.41 Favored Glycine 0 C--O 1.242 0.655 0 C-N-CA 119.764 -1.207 . . . . 39.11 112.626 176.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 35' ' ' ILE . . . . . . . . . . . . . 92.1 mt -59.58 -47.18 91.91 Favored 'Isoleucine or valine' 0 C--O 1.245 0.824 0 CA-C-O 121.742 0.782 . . . . 37.94 110.102 174.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.45 -37.49 86.09 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 112.593 0.59 . . . . 35.6 112.593 177.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 37' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -59.65 -49.9 75.96 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.347 -0.612 . . . . 39.82 109.347 -179.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 38' ' ' LEU . . . . . . . . . . . . . 62.8 tp -61.24 -45.4 94.69 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 115.89 -0.595 . . . . 38.95 111.684 178.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -57.26 -48.78 81.71 Favored 'Isoleucine or valine' 0 C--O 1.241 0.632 0 C-N-CA 120.149 -0.62 . . . . 36.0 110.179 177.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 40' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.76 -40.45 92.07 Favored 'General case' 0 C--N 1.342 0.271 0 N-CA-C 112.202 0.445 . . . . 37.52 112.202 -176.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 41' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -67.91 -42.01 81.75 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.07 -0.652 . . . . 41.84 111.346 178.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 42' ' ' ILE . . . . . . . . . . . . . 35.3 mt -59.46 -44.26 92.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.554 0 C-N-CA 119.295 -0.962 . . . . 45.77 110.19 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 43' ' ' LEU . . . . . . . . . . . . . 89.3 mt -66.32 -38.25 87.26 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 112.177 0.436 . . . . 50.8 112.177 -178.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 44' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -70.3 -38.82 75.05 Favored 'General case' 0 C--O 1.238 0.468 0 O-C-N 121.826 -0.546 . . . . 60.94 111.413 -179.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 45' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -71.55 -37.44 71.09 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 119.578 -0.849 . . . . 77.59 111.015 179.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 46' ' ' LEU . . . . . . . . . . . . . 76.6 mt -70.82 -44.07 67.3 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 112.243 0.46 . . . . 60.68 112.243 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.757 -0.202 . . . . 56.69 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.365 0.126 . . . . 66.98 110.819 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 25' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -60.91 -35.68 87.03 Favored 'Trans proline' 0 C--O 1.235 0.352 0 O-C-N 122.898 0.946 . . . . 52.68 114.093 -178.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 26' ' ' LEU . . . . . . . . . . . . . 54.5 tp -65.7 -47.7 74.53 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 118.699 0.681 . . . . 50.64 111.782 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.51 -38.93 91.13 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 120.146 -0.622 . . . . 46.65 110.873 179.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 28' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.47 -49.18 83.74 Favored 'Isoleucine or valine' 0 C--O 1.247 0.927 0 C-N-CA 119.951 -0.7 . . . . 43.66 110.732 178.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 29' ' ' ALA . . . . . 0.448 ' HA ' ' H12' ' F' ' 101' ' ' OLC . . . -59.79 -41.42 91.13 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 120.0 -0.68 . . . . 38.43 110.801 179.916 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.86 -35.77 79.12 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 120.718 -0.393 . . . . 39.04 111.883 -179.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 31' ' ' SER . . . . . . . . . . . . . 23.1 m -64.17 -48.26 76.64 Favored 'General case' 0 C--O 1.245 0.851 0 C-N-CA 120.171 -0.612 . . . . 37.15 110.495 178.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 98.6 mt -57.46 -42.48 80.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 C-N-CA 119.958 -0.697 . . . . 42.05 110.353 175.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 33' ' ' ILE . . . . . 0.402 HG23 ' CD2' ' G' ' 38' ' ' LEU . 10.6 mm -65.04 -37.14 79.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 O-C-N 121.982 -0.449 . . . . 47.73 111.239 -177.319 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.48 -42.37 64.29 Favored Glycine 0 C--O 1.237 0.323 0 C-N-CA 119.812 -1.185 . . . . 38.62 112.738 178.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 35' ' ' ILE . . . . . . . . . . . . . 95.3 mt -57.9 -47.69 85.76 Favored 'Isoleucine or valine' 0 C--O 1.249 1.063 0 CA-C-O 121.647 0.737 . . . . 39.33 109.492 174.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 36' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.76 -39.41 88.66 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 115.887 -0.597 . . . . 41.76 111.858 177.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 37' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -58.31 -51.81 68.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.995 -0.548 . . . . 39.96 110.281 179.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 38' ' ' LEU . . . . . 0.602 HD22 HG23 ' E' ' 33' ' ' ILE . 64.1 tp -58.51 -45.15 89.38 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 116.277 -0.42 . . . . 34.65 110.951 179.511 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 39' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.13 -49.8 82.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.572 0 CA-C-O 121.346 0.593 . . . . 39.12 110.766 -179.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 40' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.33 -38.14 90.0 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.335 -0.546 . . . . 34.03 110.365 -178.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 41' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -67.29 -42.79 83.16 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.637 -0.825 . . . . 43.96 111.143 -177.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 42' ' ' ILE . . . . . . . . . . . . . 55.2 mt -61.99 -44.19 98.61 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 C-N-CA 120.606 -0.437 . . . . 44.21 110.414 176.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 43' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.74 -33.97 76.83 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 117.96 -1.496 . . . . 47.25 111.476 179.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 44' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -72.68 -38.45 67.57 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 118.979 -1.088 . . . . 53.76 112.018 178.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 45' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -69.87 -37.14 75.99 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 118.387 -1.325 . . . . 77.94 111.219 -179.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 46' ' ' LEU . . . . . . . . . . . . . 82.7 mt -70.92 -71.33 0.26 Allowed 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.528 -0.545 . . . . 63.69 109.528 176.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.112 0 CA-C-N 116.646 -0.252 . . . . 59.49 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 24' ' ' ASP . . . . . . . . . . . . . 66.1 t0 . . . . . 0 CA--C 1.519 -0.235 0 N-CA-C 112.134 0.42 . . . . 72.14 112.134 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 25' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -61.83 -35.26 79.57 Favored 'Trans proline' 0 CA--C 1.515 -0.432 0 O-C-N 122.81 0.9 . . . . 62.25 113.047 178.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 26' ' ' LEU . . . . . . . . . . . . . 66.3 tp -65.9 -43.77 87.25 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.535 -0.466 . . . . 48.49 111.461 178.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.51 96.9 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 119.712 -0.795 . . . . 46.81 110.628 177.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 28' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.5 -48.09 90.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-O 121.203 0.525 . . . . 42.78 110.417 177.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.32 98.09 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 121.786 -0.571 . . . . 40.61 111.662 179.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.59 -37.01 76.76 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 119.988 -0.685 . . . . 35.82 111.157 -177.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 31' ' ' SER . . . . . . . . . . . . . 45.4 m -64.74 -46.73 80.98 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 111.968 0.359 . . . . 39.77 111.968 176.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -56.86 -42.86 79.01 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 CA-C-O 121.094 0.473 . . . . 35.98 110.112 175.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 33' ' ' ILE . . . . . . . . . . . . . 13.8 mm -66.26 -36.61 77.81 Favored 'Isoleucine or valine' 0 C--N 1.342 0.242 0 CA-C-O 120.918 0.39 . . . . 42.69 110.397 -178.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.91 -42.76 68.36 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 119.022 -1.561 . . . . 36.35 112.922 -179.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 35' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.25 -48.6 88.18 Favored 'Isoleucine or valine' 0 C--O 1.246 0.913 0 C-N-CA 118.882 -1.127 . . . . 34.03 110.341 176.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 36' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.36 -37.08 79.58 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 119.837 -0.745 . . . . 37.79 111.292 178.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 37' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -61.02 -51.98 66.92 Favored 'General case' 0 C--N 1.331 -0.197 0 O-C-N 124.162 0.914 . . . . 37.89 110.935 -179.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 38' ' ' LEU . . . . . 0.402 ' CD2' HG23 ' F' ' 33' ' ' ILE . 53.7 tp -60.03 -43.29 95.4 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 120.203 -0.599 . . . . 37.58 110.892 179.501 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' G' G ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.07 -50.69 79.51 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 C-N-CA 120.011 -0.676 . . . . 33.32 110.17 -179.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 40' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.36 -34.38 78.18 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.857 -0.737 . . . . 35.04 110.978 -177.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 41' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -68.1 -43.57 78.16 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 118.978 -1.089 . . . . 35.78 111.165 179.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 42' ' ' ILE . . . . . . . . . . . . . 39.9 mt -60.99 -43.17 95.5 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 CA-C-O 120.96 0.409 . . . . 39.83 110.54 176.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 43' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.68 -34.29 77.95 Favored 'General case' 0 C--O 1.238 0.455 0 O-C-N 122.118 -0.364 . . . . 41.1 111.527 179.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 44' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -70.65 -36.42 73.39 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 118.889 -1.124 . . . . 49.24 110.546 175.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 45' ' ' ARG . . . . . 0.522 ' NH2' ' O ' ' G' ' 201' ' ' HOH . 6.7 mmp_? -68.51 -37.6 80.2 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 120.249 -0.58 . . . . 58.72 111.824 179.956 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' G' G ' 46' ' ' LEU . . . . . . . . . . . . . 91.7 mt -70.87 -29.67 65.84 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 122.76 0.424 . . . . 55.87 111.947 179.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 47.56 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 24' ' ' ASP . . . . . . . . . . . . . 28.9 t70 . . . . . 0 CA--C 1.517 -0.316 0 N-CA-C 111.746 0.276 . . . . 61.32 111.746 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 25' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -59.47 -34.45 97.19 Favored 'Trans proline' 0 CA--C 1.51 -0.693 0 O-C-N 123.662 1.348 . . . . 43.5 113.399 -177.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 26' ' ' LEU . . . . . . . . . . . . . 63.5 tp -65.49 -43.5 89.98 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.8 -0.76 . . . . 41.37 110.545 177.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.03 -42.4 99.77 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.475 -0.49 . . . . 34.88 110.893 178.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 28' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.71 -50.64 78.92 Favored 'Isoleucine or valine' 0 C--O 1.244 0.775 0 CA-C-O 121.138 0.494 . . . . 36.49 110.274 -179.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.26 87.74 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 120.715 -0.394 . . . . 34.92 110.933 178.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.0 -37.11 83.62 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 119.598 -0.841 . . . . 35.04 111.058 -177.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 31' ' ' SER . . . . . . . . . . . . . 34.7 m -64.9 -51.15 63.5 Favored 'General case' 0 C--O 1.246 0.887 0 CA-C-O 121.178 0.513 . . . . 35.97 112.154 176.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 97.6 mt -56.91 -39.94 68.63 Favored 'Isoleucine or valine' 0 C--O 1.243 0.733 0 C-N-CA 119.402 -0.919 . . . . 40.07 109.942 177.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 33' ' ' ILE . . . . . . . . . . . . . 12.8 mm -67.39 -40.23 84.24 Favored 'Isoleucine or valine' 0 C--N 1.344 0.336 0 O-C-N 122.341 -0.224 . . . . 40.82 111.327 -176.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.39 -39.93 91.58 Favored Glycine 0 C--N 1.334 0.424 0 C-N-CA 120.128 -1.034 . . . . 41.67 111.84 179.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 35' ' ' ILE . . . . . . . . . . . . . 98.9 mt -60.47 -50.24 81.14 Favored 'Isoleucine or valine' 0 C--O 1.244 0.79 0 CA-C-O 121.359 0.6 . . . . 44.19 111.153 175.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 36' ' ' LEU . . . . . . . . . . . . . 40.3 tp -61.18 -35.99 78.65 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.933 -0.707 . . . . 36.69 111.128 178.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 37' ' ' HIS . . . . . 0.578 ' ND1' ' O ' ' H' ' 201' ' ' HOH . 17.1 t-160 -64.02 -46.08 86.08 Favored 'General case' 0 CA--C 1.518 -0.285 0 O-C-N 122.23 -0.294 . . . . 41.73 110.619 -178.16 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 38' ' ' LEU . . . . . . . . . . . . . 58.7 tp -63.12 -45.6 91.2 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.499 -0.88 . . . . 37.31 111.355 177.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 39' ' ' ILE . . . . . . . . . . . . . 73.9 mt -59.26 -50.8 78.51 Favored 'Isoleucine or valine' 0 C--O 1.245 0.839 0 C-N-CA 119.293 -0.963 . . . . 36.8 110.964 -179.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 40' ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.19 -38.16 89.61 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 120.929 -0.309 . . . . 35.24 111.126 -176.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 41' ' ' TRP . . . . . 0.407 ' O ' ' HG2' ' H' ' 45' ' ' ARG . 84.0 t90 -67.24 -42.13 84.48 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 119.177 -1.009 . . . . 39.68 110.719 -179.107 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 42' ' ' ILE . . . . . . . . . . . . . 26.1 mt -61.74 -46.39 96.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 C-N-CA 119.523 -0.871 . . . . 40.34 110.649 176.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 43' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.88 -35.5 80.22 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 118.545 -1.262 . . . . 42.54 111.208 -178.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 44' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -70.08 -37.17 75.37 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.245 -0.582 . . . . 53.99 111.829 177.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 45' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' H' ' 41' ' ' TRP . 25.7 mmm180 -69.21 -35.99 76.79 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 118.493 -1.283 . . . . 63.5 110.422 179.686 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 46' ' ' LEU . . . . . 0.414 HD11 H11A ' H' ' 101' ' ' OLC . 81.8 mt -70.75 -28.2 64.51 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.252 -0.647 . . . . 49.88 109.252 177.482 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.643 -0.708 . . . . 43.15 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' OLC . . . . . 0.461 ' H2 ' ' O25' ' A' ' 101' ' ' OLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' E01 . . . . . 0.5 ' C1 ' ' O ' ' A' ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' OLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 101' ' ' OLC . . . . . 0.62 ' O20' ' O25' ' D' ' 101' ' ' OLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 101' ' ' OLC . . . . . 0.664 ' O20' ' O25' ' E' ' 101' ' ' OLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 102' ' ' OLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 101' ' ' OLC . . . . . 0.448 ' H12' ' HA ' ' F' ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 102' ' ' E01 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 101' ' ' OLC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 101' ' ' OLC . . . . . 0.414 H11A HD11 ' H' ' 46' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 102' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . 0.5 ' O ' ' C1 ' ' A' ' 102' ' ' E01 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 201' ' ' HOH . . . . . 0.522 ' O ' ' NH2' ' G' ' 45' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 201' ' ' HOH . . . . . 0.578 ' O ' ' ND1' ' H' ' 37' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_