data_5uct_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5uct _Structure_validation_residue.Date_analyzed 2017-03-17 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 120.31 0.1 . . . . 104.66 110.984 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -78.73 171.59 16.4 Favored 'Trans proline' 0 C--N 1.331 -0.358 0 C-N-CA 120.661 0.907 . . . . 99.44 112.336 -172.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.9 mt -128.16 108.72 18.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-N 114.386 -1.279 . . . . 97.54 107.576 -178.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -106.03 167.24 9.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.888 0.852 . . . . 92.7 110.425 178.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.4 mt -89.03 136.12 24.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 N-CA-C 107.546 -1.279 . . . . 100.18 107.546 163.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -134.23 153.72 51.69 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.185 0.517 . . . . 84.87 110.025 -177.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -95.04 94.15 7.8 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.264 -1.013 . . . . 103.21 108.264 178.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -89.92 -128.55 0.08 Allowed 'General case' 0 C--O 1.235 0.339 0 N-CA-C 108.924 -0.769 . . . . 100.04 108.924 172.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.6 p-10 -64.82 -31.43 72.65 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.254 -0.979 . . . . 108.67 110.484 165.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -149.12 173.85 12.97 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 107.832 -1.173 . . . . 110.59 107.832 167.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.54 123.75 20.9 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.672 -0.695 . . . . 98.5 110.225 -176.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -142.97 155.37 62.44 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 109.099 -0.704 . . . . 88.85 109.099 -177.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -78.07 141.78 18.99 Favored 'Trans proline' 0 C--N 1.333 -0.284 0 N-CA-C 110.584 -0.583 . . . . 95.12 110.584 169.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.9 m -134.33 154.05 36.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 121.497 0.665 . . . . 80.16 110.117 -174.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.0 tp -101.28 122.19 43.23 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 108.462 -0.94 . . . . 77.5 108.462 173.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.6 mm -69.86 105.42 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 108.499 -0.926 . . . . 69.94 108.499 179.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 mt -79.46 -37.92 35.8 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.362 -0.535 . . . . 65.5 111.607 178.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 45.0 m -55.68 137.4 49.47 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.067 0.46 . . . . 75.05 110.383 177.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ARG . . . . . 0.626 ' NH2' ' O ' ' A' ' 302' ' ' HOH . 31.0 ptt-85 -59.16 134.94 57.44 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.805 -0.634 . . . . 94.87 110.377 178.722 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -66.94 -11.66 57.11 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.3 -0.56 . . . . 131.69 112.384 177.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.6 t -61.4 -41.21 89.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 120.793 0.33 . . . . 113.53 110.734 178.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.6 p -109.16 6.05 9.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 O-C-N 121.849 -0.532 . . . . 96.06 111.95 -173.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -48.74 96.27 Favored Pre-proline 0 C--O 1.243 0.729 0 N-CA-C 113.743 1.016 . . . . 93.39 113.743 -176.313 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.11 7.85 1.95 Allowed 'Trans proline' 0 C--N 1.348 0.516 0 CA-C-N 121.473 1.562 . . . . 105.77 112.855 179.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -116.92 11.09 14.27 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 112.945 0.721 . . . . 112.96 112.945 -179.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.6 mt -134.9 146.44 49.19 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 118.667 0.667 . . . . 96.71 109.912 -179.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.2 p -85.23 -12.66 52.02 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.465 -0.788 . . . . 83.21 112.876 176.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -122.26 163.35 19.79 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.471 0.653 . . . . 62.68 109.408 176.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 p -147.7 134.37 13.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 108.327 -0.99 . . . . 54.64 108.327 -179.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 85.4 m -89.21 128.6 35.83 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 108.96 -0.756 . . . . 51.29 108.96 177.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.5 m -130.01 162.3 38.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-O 121.599 0.714 . . . . 54.29 109.62 -174.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -121.55 122.33 28.0 Favored Pre-proline 0 C--O 1.242 0.708 0 N-CA-C 108.592 -0.892 . . . . 58.02 108.592 173.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -72.21 157.3 54.1 Favored 'Trans proline' 0 C--N 1.33 -0.431 0 CA-C-N 119.46 0.843 . . . . 64.76 111.709 -175.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.4 mt -119.72 114.65 44.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 N-CA-C 107.601 -1.259 . . . . 78.13 107.601 179.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.7 t -120.61 146.15 46.66 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.134 0.493 . . . . 92.94 110.014 179.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.3 p -73.1 -19.63 61.11 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.667 -0.697 . . . . 100.76 112.163 179.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.5 m -68.85 98.81 0.96 Allowed 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.883 -0.784 . . . . 95.42 108.883 177.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 20.1 t -84.93 119.77 34.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 108.055 -1.091 . . . . 91.81 108.055 176.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ARG . . . . . 0.471 ' NE ' ' O ' ' A' ' 306' ' ' HOH . 78.2 mtt85 -104.22 -6.54 20.86 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 113.688 0.996 . . . . 93.42 113.688 -177.76 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.85 35.6 58.27 Favored Glycine 0 C--O 1.237 0.307 0 C-N-CA 120.598 -0.811 . . . . 88.72 114.455 179.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.1 mt -94.02 150.68 20.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.613 0.707 . . . . 82.08 109.842 176.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.88 -27.8 69.6 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.071 -0.652 . . . . 78.77 111.853 176.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.7 p -80.53 16.27 1.41 Allowed 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.862 0.69 . . . . 70.4 112.862 -177.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -107.64 148.2 29.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.123 0.487 . . . . 90.79 109.874 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.1 t -125.29 120.6 25.01 Favored Pre-proline 0 C--O 1.236 0.382 0 N-CA-C 107.84 -1.17 . . . . 87.03 107.84 176.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -71.16 138.68 33.92 Favored 'Trans proline' 0 C--N 1.329 -0.45 0 CA-C-N 119.581 0.886 . . . . 99.4 112.271 -175.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.3 m -137.51 151.02 25.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 N-CA-C 107.534 -1.284 . . . . 120.22 107.534 171.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -139.6 -160.95 1.12 Allowed 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.889 -0.782 . . . . 148.85 108.889 -172.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.15 -22.51 66.93 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.973 -0.558 . . . . 148.19 112.404 -177.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.3 t -60.17 -41.85 88.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-O 120.99 0.424 . . . . 136.44 110.286 174.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -70.78 -34.52 71.88 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.449 -0.5 . . . . 123.03 111.4 -178.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.22 18.01 0.43 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.888 -0.672 . . . . 129.8 114.693 176.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -102.21 166.49 10.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.857 0.837 . . . . 149.53 110.442 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -78.55 -80.69 0.11 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.393 -0.822 . . . . 165.24 109.257 173.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.22 159.77 67.01 Favored Pre-proline 0 N--CA 1.452 -0.363 0 CA-C-O 120.727 0.298 . . . . 149.13 110.44 175.564 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.86 147.08 96.45 Favored 'Trans proline' 0 C--O 1.234 0.283 0 CA-C-O 121.573 0.572 . . . . 137.43 111.484 177.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 t -146.02 -179.34 6.65 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.463 -0.79 . . . . 121.0 108.96 -173.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.5 m -142.74 147.72 20.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 N-CA-C 109.447 -0.575 . . . . 106.56 109.447 -177.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.0 t -85.02 117.62 30.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 N-CA-C 108.351 -0.981 . . . . 89.25 108.351 173.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.3 t -91.73 97.95 11.32 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 108.72 -0.844 . . . . 74.27 108.72 -176.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.8 m -79.92 -5.84 56.34 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 113.237 0.828 . . . . 65.81 113.237 -177.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -86.01 -5.01 59.29 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 118.84 0.746 . . . . 76.57 112.788 174.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -124.78 35.66 4.75 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 123.049 0.54 . . . . 75.09 111.667 -176.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.4 p -66.25 145.5 55.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.511 0.672 . . . . 61.4 110.537 179.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -139.61 148.88 43.1 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.719 -0.673 . . . . 81.08 109.403 -177.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 89.8 m -103.98 111.98 24.77 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 107.639 -1.245 . . . . 54.03 107.639 171.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 28.8 pt -113.48 158.03 39.67 Favored Pre-proline 0 C--O 1.239 0.533 0 N-CA-C 109.206 -0.664 . . . . 61.66 109.206 -175.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -65.4 148.37 88.03 Favored 'Trans proline' 0 C--N 1.333 -0.27 0 CA-C-N 119.177 0.742 . . . . 57.5 110.471 172.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.0 t -62.96 -23.59 33.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-N 115.602 -0.726 . . . . 70.43 110.931 175.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 56.9 m -60.79 -29.25 69.33 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.564 -0.455 . . . . 83.65 111.734 175.6 -74.965 129.822 -82.637 44.74 30.999 108.903 115.502 58.824 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -86.3 1.73 49.9 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.917 0.71 . . . . 74.31 112.917 177.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.8 tp -89.45 129.33 35.96 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.394 -0.595 . . . . 81.22 109.394 178.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -113.46 -138.66 7.08 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 115.039 0.776 . . . . 112.97 115.039 -173.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.55 143.63 57.78 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.271 0.558 . . . . 141.39 111.477 -172.098 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -81.19 118.41 22.55 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 108.934 -0.765 . . . . 120.03 108.934 171.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.1 pt -135.64 67.37 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-O 120.937 0.399 . . . . 120.02 111.017 -175.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 126.69 -161.65 20.95 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.355 -0.926 . . . . 130.68 111.773 170.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -162.6 148.0 12.33 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.259 -1.015 . . . . 149.45 108.259 -172.854 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.9 tp -90.34 119.69 30.85 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 108.079 -1.082 . . . . 165.05 108.079 169.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.8 mp -60.05 142.73 53.53 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.154 0.502 . . . . 151.43 110.392 -177.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.75 -22.13 66.34 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.86 -0.609 . . . . 143.98 112.357 -177.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.4 p -70.69 -19.27 62.78 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.201 0.445 . . . . 152.96 112.201 175.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -87.48 -9.01 55.74 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 113.035 0.754 . . . . 152.22 113.035 177.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -58.12 -42.73 96.56 Favored Pre-proline 0 C--O 1.244 0.79 0 N-CA-C 114.274 1.212 . . . . 130.99 114.274 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -59.62 -37.25 89.26 Favored 'Trans proline' 0 C--O 1.238 0.478 0 CA-C-N 121.613 1.612 . . . . 148.2 113.337 178.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.23 -32.46 71.71 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.242 -0.583 . . . . 99.51 111.896 179.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 36.0 tp -61.24 -50.25 73.8 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.503 -0.479 . . . . 88.09 110.997 177.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.7 -38.32 78.0 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.281 -0.568 . . . . 83.08 110.981 174.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -64.17 -40.25 95.73 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 120.066 -0.654 . . . . 108.99 111.329 177.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.15 -44.01 85.33 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.56 -0.456 . . . . 81.77 111.362 -178.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.0 mt -69.17 -40.2 80.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 C-N-CA 120.74 -0.384 . . . . 74.29 110.656 -177.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -60.61 -42.31 99.18 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.105 -1.045 . . . . 87.78 113.032 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -73.64 -32.94 64.29 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 119.779 -0.768 . . . . 105.1 111.282 176.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.79 -33.68 75.7 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.534 -0.466 . . . . 87.05 111.725 -179.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -113.5 0.13 14.6 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.361 0.874 . . . . 91.42 113.361 -176.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 55.38 71.88 0.52 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 122.575 1.178 . . . . 112.81 110.708 -175.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 42.3 mt -115.61 151.18 35.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 113.971 -1.468 . . . . 110.79 109.464 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -91.98 71.25 5.53 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 122.669 1.223 . . . . 143.9 110.176 -174.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 114.703 -1.135 . . . . 136.16 110.7 176.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttt . . . . . 0 C--O 1.231 0.125 0 N-CA-C 109.661 -0.496 . . . . 85.57 109.661 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 49.5 ttm-85 -76.24 128.94 81.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.477 -0.329 . . . . 65.15 110.394 -170.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -90.17 154.89 4.7 Favored 'Trans proline' 0 C--N 1.33 -0.442 0 C-N-CA 121.004 1.136 . . . . 53.63 114.066 -172.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 63.3 mt -115.91 126.86 73.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 CA-C-N 114.495 -1.229 . . . . 57.1 107.941 174.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -123.27 162.96 21.62 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.568 0.699 . . . . 57.39 110.824 -175.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mm -91.16 129.91 41.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 107.575 -1.268 . . . . 63.1 107.575 167.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -134.3 161.59 34.54 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.383 0.611 . . . . 54.81 109.709 -176.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -98.63 98.03 9.23 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 108.488 -0.93 . . . . 79.69 108.488 -179.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 37.0 mt -103.3 -121.07 0.19 Allowed 'General case' 0 C--O 1.235 0.332 0 N-CA-C 108.733 -0.84 . . . . 67.9 108.733 172.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' B' ' 10' ' ' ASP . 13.9 p-10 -62.75 -25.14 68.05 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.219 -0.592 . . . . 82.46 111.265 167.948 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -157.86 -176.94 6.21 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 107.395 -1.335 . . . . 75.35 107.395 173.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.5 126.62 28.87 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.102 -0.703 . . . . 66.24 109.102 172.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ARG . . . . . 0.7 ' NH1' ' O3 ' ' B' ' 201' ' ' SO4 . 61.2 ttm-85 -155.71 141.52 12.79 Favored Pre-proline 0 C--O 1.237 0.422 0 N-CA-C 109.7 -0.482 . . . . 119.9 109.7 -166.312 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -72.84 144.89 39.65 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 120.661 0.907 . . . . 52.06 111.788 170.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 19.3 m -141.36 149.49 20.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.553 -0.749 . . . . 50.29 109.358 -176.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 38.5 tp -94.36 134.65 36.63 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.096 -0.705 . . . . 48.55 109.096 170.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 24.5 mm -80.59 114.03 20.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 108.772 -0.825 . . . . 53.28 108.772 -179.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 75.0 mt -86.38 -39.07 16.77 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.368 0.507 . . . . 60.52 112.368 177.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 47.8 m -57.54 134.01 55.74 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.014 0.435 . . . . 69.32 111.119 -175.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 25.0 ptt-85 -55.5 148.86 14.63 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.524 0.678 . . . . 74.63 110.234 176.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -79.47 -13.45 59.56 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 113.46 0.911 . . . . 125.69 113.46 -169.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 11.6 p -77.13 -34.4 21.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 C-N-CA 119.893 -0.723 . . . . 94.04 111.083 -174.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 16.7 m -97.48 1.73 10.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 N-CA-C 112.746 0.647 . . . . 84.34 112.746 -176.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -60.92 -46.96 96.83 Favored Pre-proline 0 C--O 1.243 0.728 0 N-CA-C 113.254 0.835 . . . . 93.77 113.254 -178.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -67.29 -8.11 21.04 Favored 'Trans proline' 0 C--O 1.239 0.539 0 CA-C-N 121.435 1.548 . . . . 104.92 114.141 178.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -111.69 20.26 17.27 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.085 0.857 . . . . 122.72 112.685 -177.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 25.1 mt -137.8 145.18 42.03 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.947 -0.39 . . . . 96.44 109.947 178.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 80.8 p -90.1 -4.5 57.29 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.849 -0.614 . . . . 92.41 112.545 175.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -127.98 165.98 19.23 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.012 -0.736 . . . . 63.31 109.012 176.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 9.1 p -159.21 147.99 7.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 107.633 -1.247 . . . . 52.6 107.633 -175.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 49.4 m -105.28 117.17 33.33 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.012 0.525 . . . . 48.61 109.879 -168.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 2.9 m -104.35 158.8 5.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 122.041 0.924 . . . . 58.51 109.905 -176.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -115.8 115.13 41.57 Favored Pre-proline 0 C--O 1.241 0.613 0 N-CA-C 107.627 -1.249 . . . . 46.57 107.627 160.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -69.24 153.96 70.52 Favored 'Trans proline' 0 CA--C 1.516 -0.377 0 CA-C-N 119.52 0.864 . . . . 47.99 111.038 -175.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 86.5 mt -114.99 133.58 60.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 107.959 -1.126 . . . . 50.84 107.959 -179.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 2.7 t -136.34 149.73 48.53 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 121.159 0.504 . . . . 57.27 110.012 -174.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 60.4 p -82.83 -11.45 58.22 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.422 -0.808 . . . . 62.15 112.551 173.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 30.9 m -74.99 92.4 2.59 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 118.189 0.449 . . . . 75.01 109.976 175.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 45.2 t -89.32 131.42 36.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 108.744 -0.836 . . . . 86.3 108.744 -177.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -120.99 -1.44 9.85 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 113.512 0.93 . . . . 108.26 113.512 -178.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.62 49.74 47.95 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 118.804 0.729 . . . . 92.56 113.183 179.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.23 152.79 21.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.313 0.578 . . . . 79.64 110.7 -176.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.61 -7.2 42.41 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.449 -0.796 . . . . 68.59 112.432 173.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 52.0 p -99.07 4.28 46.99 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.33 0.652 . . . . 61.37 112.408 177.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -105.39 145.88 30.19 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.131 0.573 . . . . 64.57 110.425 -178.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 95.8 t -119.62 111.41 36.22 Favored Pre-proline 0 C--O 1.239 0.52 0 N-CA-C 108.452 -0.944 . . . . 55.59 108.452 175.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -62.14 132.42 38.98 Favored 'Trans proline' 0 C--N 1.332 -0.32 0 C-N-CA 120.334 0.69 . . . . 58.25 111.726 -179.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 1.9 m -143.92 143.04 24.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 107.922 -1.14 . . . . 65.67 107.922 178.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 48.5 p-10 -139.94 -150.86 0.34 Allowed 'General case' 0 C--O 1.235 0.325 0 C-N-CA 119.952 -0.699 . . . . 72.76 112.047 -177.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.2 -28.8 69.93 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 112.108 0.41 . . . . 68.21 112.108 -174.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 90.3 t -62.24 -31.65 52.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 C-N-CA 120.503 -0.479 . . . . 65.88 110.429 177.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -86.74 7.26 27.56 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.826 0.676 . . . . 62.7 112.826 176.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.24 3.26 56.69 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 115.6 1.0 . . . . 65.14 115.6 176.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 39.4 mt -88.0 174.76 8.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 118.363 1.082 . . . . 70.87 110.804 -176.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -99.27 -14.46 19.24 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.351 0.871 . . . . 87.59 113.351 -178.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -160.89 160.6 25.04 Favored Pre-proline 0 C--O 1.237 0.443 0 N-CA-C 108.348 -0.982 . . . . 89.59 108.348 -179.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -56.84 125.95 20.68 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 120.178 0.585 . . . . 68.29 111.568 179.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 20.3 m -137.29 -173.75 3.56 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.298 -1.001 . . . . 62.23 108.298 -176.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -137.36 146.62 27.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 108.598 -0.89 . . . . 58.94 108.598 175.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 73.2 t -80.69 120.6 32.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 106.971 -1.492 . . . . 51.46 106.971 166.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 23.3 t -98.56 90.59 4.8 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.085 -1.079 . . . . 75.72 108.085 -171.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 96.8 m -70.86 -9.78 58.29 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 113.393 0.886 . . . . 57.31 113.393 -177.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -77.08 -13.31 59.97 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 112.861 0.689 . . . . 59.27 112.861 176.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -117.23 33.04 5.82 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.002 0.521 . . . . 61.09 111.429 -175.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 55.1 m -56.37 138.31 51.23 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.812 0.339 . . . . 54.64 110.835 177.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -146.36 151.11 36.95 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.753 -0.462 . . . . 82.46 109.753 179.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 91.8 m -107.04 122.58 46.75 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 108.082 -1.081 . . . . 56.03 108.082 174.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 31.5 pt -122.73 160.9 46.87 Favored Pre-proline 0 C--O 1.241 0.649 0 N-CA-C 108.073 -1.084 . . . . 58.49 108.073 -171.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -67.94 146.81 72.77 Favored 'Trans proline' 0 C--O 1.234 0.315 0 CA-C-O 121.502 0.543 . . . . 65.22 111.099 173.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.36 -30.35 49.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 CA-C-N 115.269 -0.878 . . . . 69.62 111.044 -178.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 26.4 p -66.97 -5.54 13.18 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.893 0.701 . . . . 84.06 112.893 176.826 58.824 115.502 -82.637 108.903 30.999 44.74 129.822 -74.965 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -98.84 8.55 44.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 118.428 0.558 . . . . 66.24 112.335 171.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 17.4 tp -100.31 123.46 44.57 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.213 -0.662 . . . . 70.91 109.213 -178.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -97.81 -158.23 30.4 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-O 121.928 0.738 . . . . 68.71 112.84 -177.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -68.7 150.85 47.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.682 0.754 . . . . 84.92 111.304 -174.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -79.54 132.13 36.22 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.315 -0.857 . . . . 93.24 109.814 174.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 38.1 pt -117.73 -5.26 11.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 N-CA-C 112.804 0.668 . . . . 70.31 112.804 -175.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.6 -170.78 43.95 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 111.07 -0.812 . . . . 74.3 111.07 178.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -128.71 166.54 18.75 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 114.527 -0.836 . . . . 114.61 110.255 -179.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 26.5 tp -97.51 125.72 42.36 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 107.627 -1.249 . . . . 64.34 107.627 160.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.21 150.81 42.12 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.506 0.669 . . . . 79.32 110.592 -175.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.9 88.8 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.504 -0.771 . . . . 70.39 111.306 -178.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 77.9 p -69.83 4.56 1.93 Allowed 'General case' 0 C--O 1.24 0.594 0 N-CA-C 113.061 0.763 . . . . 81.91 113.061 177.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -108.16 -2.95 18.99 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 123.344 0.657 . . . . 70.01 112.764 174.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -61.98 -42.96 85.15 Favored Pre-proline 0 C--O 1.243 0.757 0 CA-C-O 117.922 -1.037 . . . . 71.27 113.678 178.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -61.95 -38.6 56.95 Favored 'Trans proline' 0 C--O 1.239 0.528 0 CA-C-N 121.581 1.601 . . . . 82.41 113.26 176.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.06 -34.63 76.62 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 120.436 -0.506 . . . . 70.26 111.508 176.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 49.4 tp -69.83 -44.04 70.76 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.536 -0.466 . . . . 55.53 111.239 177.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.11 96.58 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.054 -0.658 . . . . 60.57 111.048 177.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -64.8 -40.14 94.74 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.207 -0.597 . . . . 102.32 111.213 178.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.27 -34.76 76.77 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.439 -0.504 . . . . 56.47 111.863 -179.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 46.6 mt -75.42 -49.03 28.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 C-N-CA 120.656 -0.418 . . . . 56.61 110.721 -179.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . -59.22 -35.07 82.89 Favored Glycine 0 C--N 1.336 0.558 0 C-N-CA 120.124 -1.036 . . . . 60.81 112.637 177.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -69.94 -38.24 76.13 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 122.248 -0.56 . . . . 82.14 111.103 175.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.78 78.89 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.654 -0.418 . . . . 56.79 111.778 -178.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -107.87 2.85 23.74 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 113.411 0.893 . . . . 68.6 113.411 -173.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 39.8 t0 58.57 59.77 2.81 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 122.186 0.993 . . . . 88.93 110.949 175.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' LEU . . . . . . . . . . . . . 5.0 mt -110.42 151.78 27.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.915 -1.039 . . . . 91.72 109.892 179.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -92.82 115.15 27.85 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.43 -0.581 . . . . 124.36 109.43 178.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' TRP . . . . . . . . . . . . . 2.5 m0 . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.014 0.435 . . . . 106.89 111.771 -178.437 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' SO4 . . . . . 0.7 ' O3 ' ' NH1' ' B' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . 0.626 ' O ' ' NH2' ' A' ' 20' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . 0.471 ' O ' ' NE ' ' A' ' 40' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ARG . . . . . 0.489 ' HG3' HD11 ' A' ' 16' ' ' LEU . 21.6 tpp180 . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 120.31 0.1 . . . . 104.66 110.984 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -78.73 171.59 16.4 Favored 'Trans proline' 0 C--N 1.331 -0.358 0 C-N-CA 120.661 0.907 . . . . 99.44 112.336 -172.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.9 mt -128.16 108.72 18.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-N 114.386 -1.279 . . . . 97.54 107.576 -178.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -106.03 167.24 9.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.888 0.852 . . . . 92.7 110.425 178.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . 0.561 HG13 HG12 ' A' ' 77' ' ' ILE . 67.4 mt -89.03 136.12 24.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 N-CA-C 107.546 -1.279 . . . . 100.18 107.546 163.353 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -134.23 153.72 51.69 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.185 0.517 . . . . 84.87 110.025 -177.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -95.04 94.15 7.8 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.264 -1.013 . . . . 103.21 108.264 178.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . 0.414 ' HB3' ' H ' ' A' ' 10' ' ' ASP . 4.2 mm? -89.92 -128.55 0.08 Allowed 'General case' 0 C--O 1.235 0.339 0 N-CA-C 108.924 -0.769 . . . . 100.04 108.924 172.652 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASP . . . . . 0.414 ' H ' ' HB3' ' A' ' 9' ' ' LEU . 30.6 p-10 -64.82 -31.43 72.65 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.254 -0.979 . . . . 108.67 110.484 165.447 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -149.12 173.85 12.97 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 107.832 -1.173 . . . . 110.59 107.832 167.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.54 123.75 20.9 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.672 -0.695 . . . . 98.5 110.225 -176.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -142.97 155.37 62.44 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 109.099 -0.704 . . . . 88.85 109.099 -177.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -78.07 141.78 18.99 Favored 'Trans proline' 0 C--N 1.333 -0.284 0 N-CA-C 110.584 -0.583 . . . . 95.12 110.584 169.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.9 m -134.33 154.05 36.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 121.497 0.665 . . . . 80.16 110.117 -174.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . 0.489 HD11 ' HG3' ' A' ' 2' ' ' ARG . 48.0 tp -101.28 122.19 43.23 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 108.462 -0.94 . . . . 77.5 108.462 173.475 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.6 mm -69.86 105.42 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 108.499 -0.926 . . . . 69.94 108.499 179.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 mt -79.46 -37.92 35.8 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.362 -0.535 . . . . 65.5 111.607 178.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 45.0 m -55.68 137.4 49.47 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.067 0.46 . . . . 75.05 110.383 177.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ARG . . . . . 0.626 ' NH2' ' O ' ' A' ' 302' ' ' HOH . 31.0 ptt-85 -59.16 134.94 57.44 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.805 -0.634 . . . . 94.87 110.377 178.722 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . 0.812 ' HA ' ' HG3' ' A' ' 24' ' ' ARG . 55.5 tt0 -66.94 -11.66 57.11 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.3 -0.56 . . . . 131.69 112.384 177.5 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.6 t -61.4 -41.21 89.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 120.793 0.33 . . . . 113.53 110.734 178.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.6 p -109.16 6.05 9.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 O-C-N 121.849 -0.532 . . . . 96.06 111.95 -173.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ARG . . . . . 0.812 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -58.74 -48.74 96.27 Favored Pre-proline 0 C--O 1.243 0.729 0 N-CA-C 113.743 1.016 . . . . 93.39 113.743 -176.313 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.11 7.85 1.95 Allowed 'Trans proline' 0 C--N 1.348 0.516 0 CA-C-N 121.473 1.562 . . . . 105.77 112.855 179.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -116.92 11.09 14.27 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 112.945 0.721 . . . . 112.96 112.945 -179.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.6 mt -134.9 146.44 49.19 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 118.667 0.667 . . . . 96.71 109.912 -179.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.2 p -85.23 -12.66 52.02 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.465 -0.788 . . . . 83.21 112.876 176.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -122.26 163.35 19.79 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.471 0.653 . . . . 62.68 109.408 176.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 p -147.7 134.37 13.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 108.327 -0.99 . . . . 54.64 108.327 -179.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 85.4 m -89.21 128.6 35.83 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 108.96 -0.756 . . . . 51.29 108.96 177.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.5 m -130.01 162.3 38.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-O 121.599 0.714 . . . . 54.29 109.62 -174.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -121.55 122.33 28.0 Favored Pre-proline 0 C--O 1.242 0.708 0 N-CA-C 108.592 -0.892 . . . . 58.02 108.592 173.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -72.21 157.3 54.1 Favored 'Trans proline' 0 C--N 1.33 -0.431 0 CA-C-N 119.46 0.843 . . . . 64.76 111.709 -175.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . 0.574 HD11 ' O ' ' A' ' 327' ' ' HOH . 48.4 mt -119.72 114.65 44.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 N-CA-C 107.601 -1.259 . . . . 78.13 107.601 179.409 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.7 t -120.61 146.15 46.66 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.134 0.493 . . . . 92.94 110.014 179.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.3 p -73.1 -19.63 61.11 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.667 -0.697 . . . . 100.76 112.163 179.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.5 m -68.85 98.81 0.96 Allowed 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.883 -0.784 . . . . 95.42 108.883 177.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 20.1 t -84.93 119.77 34.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 108.055 -1.091 . . . . 91.81 108.055 176.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -104.22 -6.54 20.86 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 113.688 0.996 . . . . 93.42 113.688 -177.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.85 35.6 58.27 Favored Glycine 0 C--O 1.237 0.307 0 C-N-CA 120.598 -0.811 . . . . 88.72 114.455 179.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.1 mt -94.02 150.68 20.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.613 0.707 . . . . 82.08 109.842 176.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.88 -27.8 69.6 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.071 -0.652 . . . . 78.77 111.853 176.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.7 p -80.53 16.27 1.41 Allowed 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.862 0.69 . . . . 70.4 112.862 -177.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -107.64 148.2 29.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.123 0.487 . . . . 90.79 109.874 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.1 t -125.29 120.6 25.01 Favored Pre-proline 0 C--O 1.236 0.382 0 N-CA-C 107.84 -1.17 . . . . 87.03 107.84 176.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -71.16 138.68 33.92 Favored 'Trans proline' 0 C--N 1.329 -0.45 0 CA-C-N 119.581 0.886 . . . . 99.4 112.271 -175.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.3 m -137.51 151.02 25.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 N-CA-C 107.534 -1.284 . . . . 120.22 107.534 171.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -139.6 -160.95 1.12 Allowed 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.889 -0.782 . . . . 148.85 108.889 -172.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.15 -22.51 66.93 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.973 -0.558 . . . . 148.19 112.404 -177.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.3 t -60.17 -41.85 88.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-O 120.99 0.424 . . . . 136.44 110.286 174.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -70.78 -34.52 71.88 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.449 -0.5 . . . . 123.03 111.4 -178.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.22 18.01 0.43 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.888 -0.672 . . . . 129.8 114.693 176.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -102.21 166.49 10.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.857 0.837 . . . . 149.53 110.442 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -78.55 -80.69 0.11 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.393 -0.822 . . . . 165.24 109.257 173.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.22 159.77 67.01 Favored Pre-proline 0 N--CA 1.452 -0.363 0 CA-C-O 120.727 0.298 . . . . 149.13 110.44 175.564 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.86 147.08 96.45 Favored 'Trans proline' 0 C--O 1.234 0.283 0 CA-C-O 121.573 0.572 . . . . 137.43 111.484 177.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 t -146.02 -179.34 6.65 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.463 -0.79 . . . . 121.0 108.96 -173.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.5 m -142.74 147.72 20.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 N-CA-C 109.447 -0.575 . . . . 106.56 109.447 -177.871 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.0 t -85.02 117.62 30.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 N-CA-C 108.351 -0.981 . . . . 89.25 108.351 173.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.3 t -91.73 97.95 11.32 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 108.72 -0.844 . . . . 74.27 108.72 -176.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.8 m -79.92 -5.84 56.34 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 113.237 0.828 . . . . 65.81 113.237 -177.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -86.01 -5.01 59.29 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 118.84 0.746 . . . . 76.57 112.788 174.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -124.78 35.66 4.75 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 123.049 0.54 . . . . 75.09 111.667 -176.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.4 p -66.25 145.5 55.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.511 0.672 . . . . 61.4 110.537 179.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -139.61 148.88 43.1 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.719 -0.673 . . . . 81.08 109.403 -177.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 89.8 m -103.98 111.98 24.77 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 107.639 -1.245 . . . . 54.03 107.639 171.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 28.8 pt -113.48 158.03 39.67 Favored Pre-proline 0 C--O 1.239 0.533 0 N-CA-C 109.206 -0.664 . . . . 61.66 109.206 -175.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -65.4 148.37 88.03 Favored 'Trans proline' 0 C--N 1.333 -0.27 0 CA-C-N 119.177 0.742 . . . . 57.5 110.471 172.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.0 t -62.96 -23.59 33.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-N 115.602 -0.726 . . . . 70.43 110.931 175.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 56.9 m -60.79 -29.25 69.33 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.564 -0.455 . . . . 83.65 111.734 175.6 -74.965 129.822 -82.637 44.74 30.999 108.903 115.502 58.824 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -86.3 1.73 49.9 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.917 0.71 . . . . 74.31 112.917 177.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.8 tp -89.45 129.33 35.96 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.394 -0.595 . . . . 81.22 109.394 178.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -113.46 -138.66 7.08 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 115.039 0.776 . . . . 112.97 115.039 -173.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.55 143.63 57.78 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.271 0.558 . . . . 141.39 111.477 -172.098 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -81.19 118.41 22.55 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 108.934 -0.765 . . . . 120.03 108.934 171.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ILE . . . . . 0.561 HG12 HG13 ' A' ' 6' ' ' ILE . 1.1 pt -135.64 67.37 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-O 120.937 0.399 . . . . 120.02 111.017 -175.886 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 126.69 -161.65 20.95 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.355 -0.926 . . . . 130.68 111.773 170.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -162.6 148.0 12.33 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.259 -1.015 . . . . 149.45 108.259 -172.854 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.9 tp -90.34 119.69 30.85 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 108.079 -1.082 . . . . 165.05 108.079 169.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.8 mp -60.05 142.73 53.53 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.154 0.502 . . . . 151.43 110.392 -177.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.75 -22.13 66.34 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.86 -0.609 . . . . 143.98 112.357 -177.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.4 p -70.69 -19.27 62.78 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.201 0.445 . . . . 152.96 112.201 175.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -87.48 -9.01 55.74 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 113.035 0.754 . . . . 152.22 113.035 177.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -58.12 -42.73 96.56 Favored Pre-proline 0 C--O 1.244 0.79 0 N-CA-C 114.274 1.212 . . . . 130.99 114.274 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -59.62 -37.25 89.26 Favored 'Trans proline' 0 C--O 1.238 0.478 0 CA-C-N 121.613 1.612 . . . . 148.2 113.337 178.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.23 -32.46 71.71 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.242 -0.583 . . . . 99.51 111.896 179.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 36.0 tp -61.24 -50.25 73.8 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.503 -0.479 . . . . 88.09 110.997 177.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.7 -38.32 78.0 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.281 -0.568 . . . . 83.08 110.981 174.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -64.17 -40.25 95.73 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 120.066 -0.654 . . . . 108.99 111.329 177.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.15 -44.01 85.33 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.56 -0.456 . . . . 81.77 111.362 -178.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.0 mt -69.17 -40.2 80.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 C-N-CA 120.74 -0.384 . . . . 74.29 110.656 -177.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -60.61 -42.31 99.18 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.105 -1.045 . . . . 87.78 113.032 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ASN . . . . . 0.538 ' HB2' ' O ' ' A' ' 317' ' ' HOH . 68.7 m-20 -73.64 -32.94 64.29 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 119.779 -0.768 . . . . 105.1 111.282 176.729 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.79 -33.68 75.7 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.534 -0.466 . . . . 87.05 111.725 -179.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -113.5 0.13 14.6 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.361 0.874 . . . . 91.42 113.361 -176.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 55.38 71.88 0.52 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 122.575 1.178 . . . . 112.81 110.708 -175.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 42.3 mt -115.61 151.18 35.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 113.971 -1.468 . . . . 110.79 109.464 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -91.98 71.25 5.53 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 122.669 1.223 . . . . 143.9 110.176 -174.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' TRP . . . . . 0.519 ' HA ' ' CE3' ' A' ' 100' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 114.703 -1.135 . . . . 136.16 110.7 176.144 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttt . . . . . 0 C--O 1.231 0.125 0 N-CA-C 109.661 -0.496 . . . . 85.57 109.661 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 49.5 ttm-85 -76.24 128.94 81.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.477 -0.329 . . . . 65.15 110.394 -170.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -90.17 154.89 4.7 Favored 'Trans proline' 0 C--N 1.33 -0.442 0 C-N-CA 121.004 1.136 . . . . 53.63 114.066 -172.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 63.3 mt -115.91 126.86 73.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 CA-C-N 114.495 -1.229 . . . . 57.1 107.941 174.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -123.27 162.96 21.62 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.568 0.699 . . . . 57.39 110.824 -175.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mm -91.16 129.91 41.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 107.575 -1.268 . . . . 63.1 107.575 167.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -134.3 161.59 34.54 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.383 0.611 . . . . 54.81 109.709 -176.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -98.63 98.03 9.23 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 108.488 -0.93 . . . . 79.69 108.488 -179.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 37.0 mt -103.3 -121.07 0.19 Allowed 'General case' 0 C--O 1.235 0.332 0 N-CA-C 108.733 -0.84 . . . . 67.9 108.733 172.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' B' ' 10' ' ' ASP . 13.9 p-10 -62.75 -25.14 68.05 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.219 -0.592 . . . . 82.46 111.265 167.948 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -157.86 -176.94 6.21 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 107.395 -1.335 . . . . 75.35 107.395 173.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.5 126.62 28.87 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.102 -0.703 . . . . 66.24 109.102 172.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ARG . . . . . 0.689 ' NH1' ' O3 ' ' B' ' 201' ' ' SO4 . 61.2 ttm-85 -155.71 141.52 12.79 Favored Pre-proline 0 C--O 1.237 0.422 0 N-CA-C 109.7 -0.482 . . . . 119.9 109.7 -166.312 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -72.84 144.89 39.65 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 120.661 0.907 . . . . 52.06 111.788 170.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 19.3 m -141.36 149.49 20.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.553 -0.749 . . . . 50.29 109.358 -176.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 38.5 tp -94.36 134.65 36.63 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.096 -0.705 . . . . 48.55 109.096 170.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ILE . . . . . 0.42 ' HA ' ' O ' ' B' ' 301' ' ' HOH . 24.5 mm -80.59 114.03 20.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 108.772 -0.825 . . . . 53.28 108.772 -179.282 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 75.0 mt -86.38 -39.07 16.77 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.368 0.507 . . . . 60.52 112.368 177.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 47.8 m -57.54 134.01 55.74 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.014 0.435 . . . . 69.32 111.119 -175.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 25.0 ptt-85 -55.5 148.86 14.63 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.524 0.678 . . . . 74.63 110.234 176.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -79.47 -13.45 59.56 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 113.46 0.911 . . . . 125.69 113.46 -169.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' VAL . . . . . 0.558 HG13 HG13 ' B' ' 23' ' ' VAL . 11.6 p -77.13 -34.4 21.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 C-N-CA 119.893 -0.723 . . . . 94.04 111.083 -174.743 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' VAL . . . . . 0.558 HG13 HG13 ' B' ' 22' ' ' VAL . 16.7 m -97.48 1.73 10.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 N-CA-C 112.746 0.647 . . . . 84.34 112.746 -176.099 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -60.92 -46.96 96.83 Favored Pre-proline 0 C--O 1.243 0.728 0 N-CA-C 113.254 0.835 . . . . 93.77 113.254 -178.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -67.29 -8.11 21.04 Favored 'Trans proline' 0 C--O 1.239 0.539 0 CA-C-N 121.435 1.548 . . . . 104.92 114.141 178.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -111.69 20.26 17.27 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.085 0.857 . . . . 122.72 112.685 -177.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 25.1 mt -137.8 145.18 42.03 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.947 -0.39 . . . . 96.44 109.947 178.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 80.8 p -90.1 -4.5 57.29 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.849 -0.614 . . . . 92.41 112.545 175.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -127.98 165.98 19.23 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.012 -0.736 . . . . 63.31 109.012 176.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' VAL . . . . . 0.41 HG13 ' O ' ' B' ' 317' ' ' HOH . 9.1 p -159.21 147.99 7.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 107.633 -1.247 . . . . 52.6 107.633 -175.745 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 49.4 m -105.28 117.17 33.33 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.012 0.525 . . . . 48.61 109.879 -168.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' VAL . . . . . 0.64 HG13 ' O ' ' B' ' 317' ' ' HOH . 2.9 m -104.35 158.8 5.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 122.041 0.924 . . . . 58.51 109.905 -176.062 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -115.8 115.13 41.57 Favored Pre-proline 0 C--O 1.241 0.613 0 N-CA-C 107.627 -1.249 . . . . 46.57 107.627 160.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -69.24 153.96 70.52 Favored 'Trans proline' 0 CA--C 1.516 -0.377 0 CA-C-N 119.52 0.864 . . . . 47.99 111.038 -175.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ILE . . . . . 0.466 HG12 HG22 ' B' ' 60' ' ' VAL . 86.5 mt -114.99 133.58 60.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 107.959 -1.126 . . . . 50.84 107.959 -179.763 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 2.7 t -136.34 149.73 48.53 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 121.159 0.504 . . . . 57.27 110.012 -174.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 60.4 p -82.83 -11.45 58.22 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.422 -0.808 . . . . 62.15 112.551 173.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 30.9 m -74.99 92.4 2.59 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 118.189 0.449 . . . . 75.01 109.976 175.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 45.2 t -89.32 131.42 36.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 108.744 -0.836 . . . . 86.3 108.744 -177.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -120.99 -1.44 9.85 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 113.512 0.93 . . . . 108.26 113.512 -178.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.62 49.74 47.95 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 118.804 0.729 . . . . 92.56 113.183 179.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.23 152.79 21.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.313 0.578 . . . . 79.64 110.7 -176.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.61 -7.2 42.41 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.449 -0.796 . . . . 68.59 112.432 173.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 52.0 p -99.07 4.28 46.99 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.33 0.652 . . . . 61.37 112.408 177.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -105.39 145.88 30.19 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.131 0.573 . . . . 64.57 110.425 -178.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' VAL . . . . . 0.424 ' HB ' ' HB ' ' B' ' 60' ' ' VAL . 95.8 t -119.62 111.41 36.22 Favored Pre-proline 0 C--O 1.239 0.52 0 N-CA-C 108.452 -0.944 . . . . 55.59 108.452 175.566 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -62.14 132.42 38.98 Favored 'Trans proline' 0 C--N 1.332 -0.32 0 C-N-CA 120.334 0.69 . . . . 58.25 111.726 -179.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 1.9 m -143.92 143.04 24.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 107.922 -1.14 . . . . 65.67 107.922 178.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 48.5 p-10 -139.94 -150.86 0.34 Allowed 'General case' 0 C--O 1.235 0.325 0 C-N-CA 119.952 -0.699 . . . . 72.76 112.047 -177.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.2 -28.8 69.93 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 112.108 0.41 . . . . 68.21 112.108 -174.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 90.3 t -62.24 -31.65 52.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 C-N-CA 120.503 -0.479 . . . . 65.88 110.429 177.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -86.74 7.26 27.56 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.826 0.676 . . . . 62.7 112.826 176.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.24 3.26 56.69 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 115.6 1.0 . . . . 65.14 115.6 176.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 39.4 mt -88.0 174.76 8.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 118.363 1.082 . . . . 70.87 110.804 -176.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -99.27 -14.46 19.24 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.351 0.871 . . . . 87.59 113.351 -178.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -160.89 160.6 25.04 Favored Pre-proline 0 C--O 1.237 0.443 0 N-CA-C 108.348 -0.982 . . . . 89.59 108.348 -179.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -56.84 125.95 20.68 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 120.178 0.585 . . . . 68.29 111.568 179.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 20.3 m -137.29 -173.75 3.56 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.298 -1.001 . . . . 62.23 108.298 -176.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -137.36 146.62 27.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 108.598 -0.89 . . . . 58.94 108.598 175.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' VAL . . . . . 0.466 HG22 HG12 ' B' ' 35' ' ' ILE . 73.2 t -80.69 120.6 32.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 106.971 -1.492 . . . . 51.46 106.971 166.505 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 23.3 t -98.56 90.59 4.8 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.085 -1.079 . . . . 75.72 108.085 -171.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 96.8 m -70.86 -9.78 58.29 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 113.393 0.886 . . . . 57.31 113.393 -177.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -77.08 -13.31 59.97 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 112.861 0.689 . . . . 59.27 112.861 176.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -117.23 33.04 5.82 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.002 0.521 . . . . 61.09 111.429 -175.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 55.1 m -56.37 138.31 51.23 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.812 0.339 . . . . 54.64 110.835 177.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -146.36 151.11 36.95 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.753 -0.462 . . . . 82.46 109.753 179.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 91.8 m -107.04 122.58 46.75 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 108.082 -1.081 . . . . 56.03 108.082 174.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 31.5 pt -122.73 160.9 46.87 Favored Pre-proline 0 C--O 1.241 0.649 0 N-CA-C 108.073 -1.084 . . . . 58.49 108.073 -171.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -67.94 146.81 72.77 Favored 'Trans proline' 0 C--O 1.234 0.315 0 CA-C-O 121.502 0.543 . . . . 65.22 111.099 173.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.36 -30.35 49.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 CA-C-N 115.269 -0.878 . . . . 69.62 111.044 -178.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 26.4 p -66.97 -5.54 13.18 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.893 0.701 . . . . 84.06 112.893 176.826 58.824 115.502 -82.637 108.903 30.999 44.74 129.822 -74.965 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -98.84 8.55 44.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 118.428 0.558 . . . . 66.24 112.335 171.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 17.4 tp -100.31 123.46 44.57 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.213 -0.662 . . . . 70.91 109.213 -178.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -97.81 -158.23 30.4 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-O 121.928 0.738 . . . . 68.71 112.84 -177.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -68.7 150.85 47.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.682 0.754 . . . . 84.92 111.304 -174.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -79.54 132.13 36.22 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.315 -0.857 . . . . 93.24 109.814 174.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 38.1 pt -117.73 -5.26 11.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 N-CA-C 112.804 0.668 . . . . 70.31 112.804 -175.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.6 -170.78 43.95 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 111.07 -0.812 . . . . 74.3 111.07 178.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -128.71 166.54 18.75 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 114.527 -0.836 . . . . 114.61 110.255 -179.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 26.5 tp -97.51 125.72 42.36 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 107.627 -1.249 . . . . 64.34 107.627 160.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.21 150.81 42.12 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.506 0.669 . . . . 79.32 110.592 -175.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.9 88.8 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.504 -0.771 . . . . 70.39 111.306 -178.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 77.9 p -69.83 4.56 1.93 Allowed 'General case' 0 C--O 1.24 0.594 0 N-CA-C 113.061 0.763 . . . . 81.91 113.061 177.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -108.16 -2.95 18.99 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 123.344 0.657 . . . . 70.01 112.764 174.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -61.98 -42.96 85.15 Favored Pre-proline 0 C--O 1.243 0.757 0 CA-C-O 117.922 -1.037 . . . . 71.27 113.678 178.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -61.95 -38.6 56.95 Favored 'Trans proline' 0 C--O 1.239 0.528 0 CA-C-N 121.581 1.601 . . . . 82.41 113.26 176.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.06 -34.63 76.62 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 120.436 -0.506 . . . . 70.26 111.508 176.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 49.4 tp -69.83 -44.04 70.76 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.536 -0.466 . . . . 55.53 111.239 177.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.11 96.58 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.054 -0.658 . . . . 60.57 111.048 177.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -64.8 -40.14 94.74 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.207 -0.597 . . . . 102.32 111.213 178.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.27 -34.76 76.77 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.439 -0.504 . . . . 56.47 111.863 -179.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 46.6 mt -75.42 -49.03 28.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 C-N-CA 120.656 -0.418 . . . . 56.61 110.721 -179.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' GLY . . . . . 0.434 ' HA2' HD12 ' B' ' 98' ' ' LEU . . . -59.22 -35.07 82.89 Favored Glycine 0 C--N 1.336 0.558 0 C-N-CA 120.124 -1.036 . . . . 60.81 112.637 177.146 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 94' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -69.94 -38.24 76.13 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 122.248 -0.56 . . . . 82.14 111.103 175.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.78 78.89 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.654 -0.418 . . . . 56.79 111.778 -178.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -107.87 2.85 23.74 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 113.411 0.893 . . . . 68.6 113.411 -173.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 39.8 t0 58.57 59.77 2.81 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 122.186 0.993 . . . . 88.93 110.949 175.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' LEU . . . . . 0.434 HD12 ' HA2' ' B' ' 93' ' ' GLY . 5.0 mt -110.42 151.78 27.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.915 -1.039 . . . . 91.72 109.892 179.37 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -92.82 115.15 27.85 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.43 -0.581 . . . . 124.36 109.43 178.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' TRP . . . . . . . . . . . . . 2.5 m0 . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.014 0.435 . . . . 106.89 111.771 -178.437 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' SO4 . . . . . 0.689 ' O3 ' ' NH1' ' B' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . 0.626 ' O ' ' NH2' ' A' ' 20' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . 0.538 ' O ' ' HB2' ' A' ' 94' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 327' ' ' HOH . . . . . 0.574 ' O ' HD11 ' A' ' 35' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 301' ' ' HOH . . . . . 0.42 ' O ' ' HA ' ' B' ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 317' ' ' HOH . . . . . 0.64 ' O ' HG13 ' B' ' 32' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.489 ' HG3' HD11 ' A' ' 16' ' ' LEU . 21.6 tpp180 . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 120.31 0.1 . . . . 104.66 110.984 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -78.73 171.59 16.4 Favored 'Trans proline' 0 C--N 1.331 -0.358 0 C-N-CA 120.661 0.907 . . . . 99.44 112.336 -172.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.9 mt -128.16 108.72 18.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-N 114.386 -1.279 . . . . 97.54 107.576 -178.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -106.03 167.24 9.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.888 0.852 . . . . 92.7 110.425 178.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.561 HG13 HG12 ' A' ' 77' ' ' ILE . 67.4 mt -89.03 136.12 24.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 N-CA-C 107.546 -1.279 . . . . 100.18 107.546 163.353 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -134.23 153.72 51.69 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.185 0.517 . . . . 84.87 110.025 -177.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -95.04 94.15 7.8 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.264 -1.013 . . . . 103.21 108.264 178.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.414 ' HB3' ' H ' ' A' ' 10' ' ' ASP . 4.2 mm? -89.92 -128.55 0.08 Allowed 'General case' 0 C--O 1.235 0.339 0 N-CA-C 108.924 -0.769 . . . . 100.04 108.924 172.652 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.414 ' H ' ' HB3' ' A' ' 9' ' ' LEU . 30.6 p-10 -64.82 -31.43 72.65 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.254 -0.979 . . . . 108.67 110.484 165.447 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -149.12 173.85 12.97 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 107.832 -1.173 . . . . 110.59 107.832 167.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.54 123.75 20.9 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.672 -0.695 . . . . 98.5 110.225 -176.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -142.97 155.37 62.44 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 109.099 -0.704 . . . . 88.85 109.099 -177.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -78.07 141.78 18.99 Favored 'Trans proline' 0 C--N 1.333 -0.284 0 N-CA-C 110.584 -0.583 . . . . 95.12 110.584 169.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.9 m -134.33 154.05 36.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 121.497 0.665 . . . . 80.16 110.117 -174.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.489 HD11 ' HG3' ' A' ' 2' ' ' ARG . 48.0 tp -101.28 122.19 43.23 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 108.462 -0.94 . . . . 77.5 108.462 173.475 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.6 mm -69.86 105.42 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 108.499 -0.926 . . . . 69.94 108.499 179.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 mt -79.46 -37.92 35.8 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.362 -0.535 . . . . 65.5 111.607 178.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 45.0 m -55.68 137.4 49.47 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.067 0.46 . . . . 75.05 110.383 177.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.626 ' NH2' ' O ' ' A' ' 302' ' ' HOH . 31.0 ptt-85 -59.16 134.94 57.44 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.805 -0.634 . . . . 94.87 110.377 178.722 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.812 ' HA ' ' HG3' ' A' ' 24' ' ' ARG . 55.5 tt0 -66.94 -11.66 57.11 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.3 -0.56 . . . . 131.69 112.384 177.5 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.6 t -61.4 -41.21 89.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 120.793 0.33 . . . . 113.53 110.734 178.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.6 p -109.16 6.05 9.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 O-C-N 121.849 -0.532 . . . . 96.06 111.95 -173.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.812 ' HG3' ' HA ' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -58.74 -48.74 96.27 Favored Pre-proline 0 C--O 1.243 0.729 0 N-CA-C 113.743 1.016 . . . . 93.39 113.743 -176.313 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.11 7.85 1.95 Allowed 'Trans proline' 0 C--N 1.348 0.516 0 CA-C-N 121.473 1.562 . . . . 105.77 112.855 179.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -116.92 11.09 14.27 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 112.945 0.721 . . . . 112.96 112.945 -179.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.6 mt -134.9 146.44 49.19 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 118.667 0.667 . . . . 96.71 109.912 -179.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.2 p -85.23 -12.66 52.02 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.465 -0.788 . . . . 83.21 112.876 176.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -122.26 163.35 19.79 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.471 0.653 . . . . 62.68 109.408 176.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 p -147.7 134.37 13.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 108.327 -0.99 . . . . 54.64 108.327 -179.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 85.4 m -89.21 128.6 35.83 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 108.96 -0.756 . . . . 51.29 108.96 177.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.5 m -130.01 162.3 38.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.207 0 CA-C-O 121.599 0.714 . . . . 54.29 109.62 -174.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -121.55 122.33 28.0 Favored Pre-proline 0 C--O 1.242 0.708 0 N-CA-C 108.592 -0.892 . . . . 58.02 108.592 173.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -72.21 157.3 54.1 Favored 'Trans proline' 0 C--N 1.33 -0.431 0 CA-C-N 119.46 0.843 . . . . 64.76 111.709 -175.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.574 HD11 ' O ' ' A' ' 327' ' ' HOH . 48.4 mt -119.72 114.65 44.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 N-CA-C 107.601 -1.259 . . . . 78.13 107.601 179.409 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.7 t -120.61 146.15 46.66 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.134 0.493 . . . . 92.94 110.014 179.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 66.3 p -73.1 -19.63 61.11 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.667 -0.697 . . . . 100.76 112.163 179.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.5 m -68.85 98.81 0.96 Allowed 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.883 -0.784 . . . . 95.42 108.883 177.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 20.1 t -84.93 119.77 34.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 108.055 -1.091 . . . . 91.81 108.055 176.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -104.22 -6.54 20.86 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 113.688 0.996 . . . . 93.42 113.688 -177.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.85 35.6 58.27 Favored Glycine 0 C--O 1.237 0.307 0 C-N-CA 120.598 -0.811 . . . . 88.72 114.455 179.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.1 mt -94.02 150.68 20.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.613 0.707 . . . . 82.08 109.842 176.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.88 -27.8 69.6 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.071 -0.652 . . . . 78.77 111.853 176.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.7 p -80.53 16.27 1.41 Allowed 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.862 0.69 . . . . 70.4 112.862 -177.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -107.64 148.2 29.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.123 0.487 . . . . 90.79 109.874 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.1 t -125.29 120.6 25.01 Favored Pre-proline 0 C--O 1.236 0.382 0 N-CA-C 107.84 -1.17 . . . . 87.03 107.84 176.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -71.16 138.68 33.92 Favored 'Trans proline' 0 C--N 1.329 -0.45 0 CA-C-N 119.581 0.886 . . . . 99.4 112.271 -175.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.3 m -137.51 151.02 25.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 N-CA-C 107.534 -1.284 . . . . 120.22 107.534 171.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -139.6 -160.95 1.12 Allowed 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.889 -0.782 . . . . 148.85 108.889 -172.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.15 -22.51 66.93 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.973 -0.558 . . . . 148.19 112.404 -177.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.3 t -60.17 -41.85 88.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-O 120.99 0.424 . . . . 136.44 110.286 174.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -70.78 -34.52 71.88 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.449 -0.5 . . . . 123.03 111.4 -178.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.22 18.01 0.43 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.888 -0.672 . . . . 129.8 114.693 176.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -102.21 166.49 10.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.857 0.837 . . . . 149.53 110.442 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -78.55 -80.69 0.11 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.393 -0.822 . . . . 165.24 109.257 173.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.22 159.77 67.01 Favored Pre-proline 0 N--CA 1.452 -0.363 0 CA-C-O 120.727 0.298 . . . . 149.13 110.44 175.564 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.86 147.08 96.45 Favored 'Trans proline' 0 C--O 1.234 0.283 0 CA-C-O 121.573 0.572 . . . . 137.43 111.484 177.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.7 t -146.02 -179.34 6.65 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.463 -0.79 . . . . 121.0 108.96 -173.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.5 m -142.74 147.72 20.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 N-CA-C 109.447 -0.575 . . . . 106.56 109.447 -177.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.0 t -85.02 117.62 30.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 N-CA-C 108.351 -0.981 . . . . 89.25 108.351 173.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.3 t -91.73 97.95 11.32 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 108.72 -0.844 . . . . 74.27 108.72 -176.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.8 m -79.92 -5.84 56.34 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 113.237 0.828 . . . . 65.81 113.237 -177.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -86.01 -5.01 59.29 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 118.84 0.746 . . . . 76.57 112.788 174.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -124.78 35.66 4.75 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 123.049 0.54 . . . . 75.09 111.667 -176.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.4 p -66.25 145.5 55.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.511 0.672 . . . . 61.4 110.537 179.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -139.61 148.88 43.1 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.719 -0.673 . . . . 81.08 109.403 -177.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 89.8 m -103.98 111.98 24.77 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 107.639 -1.245 . . . . 54.03 107.639 171.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 28.8 pt -113.48 158.03 39.67 Favored Pre-proline 0 C--O 1.239 0.533 0 N-CA-C 109.206 -0.664 . . . . 61.66 109.206 -175.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -65.4 148.37 88.03 Favored 'Trans proline' 0 C--N 1.333 -0.27 0 CA-C-N 119.177 0.742 . . . . 57.5 110.471 172.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.0 t -62.96 -23.59 33.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-N 115.602 -0.726 . . . . 70.43 110.931 175.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 56.9 m -60.79 -29.25 69.33 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.564 -0.455 . . . . 83.65 111.734 175.6 -74.965 129.822 -82.637 44.74 30.999 108.903 115.502 58.824 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -86.3 1.73 49.9 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.917 0.71 . . . . 74.31 112.917 177.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.8 tp -89.45 129.33 35.96 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.394 -0.595 . . . . 81.22 109.394 178.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -113.46 -138.66 7.08 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 115.039 0.776 . . . . 112.97 115.039 -173.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.55 143.63 57.78 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.271 0.558 . . . . 141.39 111.477 -172.098 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -81.19 118.41 22.55 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 108.934 -0.765 . . . . 120.03 108.934 171.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.561 HG12 HG13 ' A' ' 6' ' ' ILE . 1.1 pt -135.64 67.37 0.28 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-O 120.937 0.399 . . . . 120.02 111.017 -175.886 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 126.69 -161.65 20.95 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.355 -0.926 . . . . 130.68 111.773 170.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -162.6 148.0 12.33 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.259 -1.015 . . . . 149.45 108.259 -172.854 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.9 tp -90.34 119.69 30.85 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 108.079 -1.082 . . . . 165.05 108.079 169.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.8 mp -60.05 142.73 53.53 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.154 0.502 . . . . 151.43 110.392 -177.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.75 -22.13 66.34 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.86 -0.609 . . . . 143.98 112.357 -177.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.4 p -70.69 -19.27 62.78 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.201 0.445 . . . . 152.96 112.201 175.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -87.48 -9.01 55.74 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 113.035 0.754 . . . . 152.22 113.035 177.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -58.12 -42.73 96.56 Favored Pre-proline 0 C--O 1.244 0.79 0 N-CA-C 114.274 1.212 . . . . 130.99 114.274 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -59.62 -37.25 89.26 Favored 'Trans proline' 0 C--O 1.238 0.478 0 CA-C-N 121.613 1.612 . . . . 148.2 113.337 178.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.23 -32.46 71.71 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.242 -0.583 . . . . 99.51 111.896 179.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 36.0 tp -61.24 -50.25 73.8 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.503 -0.479 . . . . 88.09 110.997 177.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.7 -38.32 78.0 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.281 -0.568 . . . . 83.08 110.981 174.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -64.17 -40.25 95.73 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 120.066 -0.654 . . . . 108.99 111.329 177.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.15 -44.01 85.33 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.56 -0.456 . . . . 81.77 111.362 -178.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.0 mt -69.17 -40.2 80.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.469 0 C-N-CA 120.74 -0.384 . . . . 74.29 110.656 -177.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -60.61 -42.31 99.18 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.105 -1.045 . . . . 87.78 113.032 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.538 ' HB2' ' O ' ' A' ' 317' ' ' HOH . 68.7 m-20 -73.64 -32.94 64.29 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 119.779 -0.768 . . . . 105.1 111.282 176.729 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.79 -33.68 75.7 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.534 -0.466 . . . . 87.05 111.725 -179.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -113.5 0.13 14.6 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.361 0.874 . . . . 91.42 113.361 -176.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 55.38 71.88 0.52 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 122.575 1.178 . . . . 112.81 110.708 -175.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 42.3 mt -115.61 151.18 35.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 113.971 -1.468 . . . . 110.79 109.464 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -91.98 71.25 5.53 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 122.669 1.223 . . . . 143.9 110.176 -174.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.519 ' CE3' ' HA ' ' A' ' 100' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 114.703 -1.135 . . . . 136.16 110.7 176.144 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttt . . . . . 0 C--O 1.231 0.125 0 N-CA-C 109.661 -0.496 . . . . 85.57 109.661 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 49.5 ttm-85 -76.24 128.94 81.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.477 -0.329 . . . . 65.15 110.394 -170.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -90.17 154.89 4.7 Favored 'Trans proline' 0 C--N 1.33 -0.442 0 C-N-CA 121.004 1.136 . . . . 53.63 114.066 -172.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 63.3 mt -115.91 126.86 73.59 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 CA-C-N 114.495 -1.229 . . . . 57.1 107.941 174.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -123.27 162.96 21.62 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.568 0.699 . . . . 57.39 110.824 -175.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 12.1 mm -91.16 129.91 41.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 107.575 -1.268 . . . . 63.1 107.575 167.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -134.3 161.59 34.54 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.383 0.611 . . . . 54.81 109.709 -176.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -98.63 98.03 9.23 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 108.488 -0.93 . . . . 79.69 108.488 -179.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 37.0 mt -103.3 -121.07 0.19 Allowed 'General case' 0 C--O 1.235 0.332 0 N-CA-C 108.733 -0.84 . . . . 67.9 108.733 172.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' B' ' 10' ' ' ASP . 13.9 p-10 -62.75 -25.14 68.05 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.219 -0.592 . . . . 82.46 111.265 167.948 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -157.86 -176.94 6.21 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 107.395 -1.335 . . . . 75.35 107.395 173.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.5 126.62 28.87 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.102 -0.703 . . . . 66.24 109.102 172.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.689 ' NH1' ' O3 ' ' B' ' 201' ' ' SO4 . 61.2 ttm-85 -155.71 141.52 12.79 Favored Pre-proline 0 C--O 1.237 0.422 0 N-CA-C 109.7 -0.482 . . . . 119.9 109.7 -166.312 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -72.84 144.89 39.65 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 120.661 0.907 . . . . 52.06 111.788 170.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 19.3 m -141.36 149.49 20.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.553 -0.749 . . . . 50.29 109.358 -176.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 38.5 tp -94.36 134.65 36.63 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.096 -0.705 . . . . 48.55 109.096 170.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.42 ' HA ' ' O ' ' B' ' 301' ' ' HOH . 24.5 mm -80.59 114.03 20.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 108.772 -0.825 . . . . 53.28 108.772 -179.282 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 75.0 mt -86.38 -39.07 16.77 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.368 0.507 . . . . 60.52 112.368 177.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 47.8 m -57.54 134.01 55.74 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.014 0.435 . . . . 69.32 111.119 -175.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 25.0 ptt-85 -55.5 148.86 14.63 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.524 0.678 . . . . 74.63 110.234 176.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -79.47 -13.45 59.56 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 113.46 0.911 . . . . 125.69 113.46 -169.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.558 HG13 HG13 ' B' ' 23' ' ' VAL . 11.6 p -77.13 -34.4 21.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 C-N-CA 119.893 -0.723 . . . . 94.04 111.083 -174.743 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.558 HG13 HG13 ' B' ' 22' ' ' VAL . 16.7 m -97.48 1.73 10.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 N-CA-C 112.746 0.647 . . . . 84.34 112.746 -176.099 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -60.92 -46.96 96.83 Favored Pre-proline 0 C--O 1.243 0.728 0 N-CA-C 113.254 0.835 . . . . 93.77 113.254 -178.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -67.29 -8.11 21.04 Favored 'Trans proline' 0 C--O 1.239 0.539 0 CA-C-N 121.435 1.548 . . . . 104.92 114.141 178.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -111.69 20.26 17.27 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.085 0.857 . . . . 122.72 112.685 -177.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 25.1 mt -137.8 145.18 42.03 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.947 -0.39 . . . . 96.44 109.947 178.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 80.8 p -90.1 -4.5 57.29 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.849 -0.614 . . . . 92.41 112.545 175.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -127.98 165.98 19.23 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.012 -0.736 . . . . 63.31 109.012 176.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.41 HG13 ' O ' ' B' ' 317' ' ' HOH . 9.1 p -159.21 147.99 7.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 107.633 -1.247 . . . . 52.6 107.633 -175.745 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 49.4 m -105.28 117.17 33.33 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.012 0.525 . . . . 48.61 109.879 -168.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.64 HG13 ' O ' ' B' ' 317' ' ' HOH . 2.9 m -104.35 158.8 5.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 122.041 0.924 . . . . 58.51 109.905 -176.062 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -115.8 115.13 41.57 Favored Pre-proline 0 C--O 1.241 0.613 0 N-CA-C 107.627 -1.249 . . . . 46.57 107.627 160.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -69.24 153.96 70.52 Favored 'Trans proline' 0 CA--C 1.516 -0.377 0 CA-C-N 119.52 0.864 . . . . 47.99 111.038 -175.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.466 HG12 HG22 ' B' ' 60' ' ' VAL . 86.5 mt -114.99 133.58 60.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 107.959 -1.126 . . . . 50.84 107.959 -179.763 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 2.7 t -136.34 149.73 48.53 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 121.159 0.504 . . . . 57.27 110.012 -174.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 60.4 p -82.83 -11.45 58.22 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.422 -0.808 . . . . 62.15 112.551 173.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 30.9 m -74.99 92.4 2.59 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 118.189 0.449 . . . . 75.01 109.976 175.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 45.2 t -89.32 131.42 36.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 108.744 -0.836 . . . . 86.3 108.744 -177.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -120.99 -1.44 9.85 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 113.512 0.93 . . . . 108.26 113.512 -178.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.62 49.74 47.95 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 118.804 0.729 . . . . 92.56 113.183 179.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.23 152.79 21.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.313 0.578 . . . . 79.64 110.7 -176.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.61 -7.2 42.41 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.449 -0.796 . . . . 68.59 112.432 173.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 52.0 p -99.07 4.28 46.99 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.33 0.652 . . . . 61.37 112.408 177.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -105.39 145.88 30.19 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.131 0.573 . . . . 64.57 110.425 -178.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.424 ' HB ' ' HB ' ' B' ' 60' ' ' VAL . 95.8 t -119.62 111.41 36.22 Favored Pre-proline 0 C--O 1.239 0.52 0 N-CA-C 108.452 -0.944 . . . . 55.59 108.452 175.566 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -62.14 132.42 38.98 Favored 'Trans proline' 0 C--N 1.332 -0.32 0 C-N-CA 120.334 0.69 . . . . 58.25 111.726 -179.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 1.9 m -143.92 143.04 24.22 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 107.922 -1.14 . . . . 65.67 107.922 178.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 48.5 p-10 -139.94 -150.86 0.34 Allowed 'General case' 0 C--O 1.235 0.325 0 C-N-CA 119.952 -0.699 . . . . 72.76 112.047 -177.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.2 -28.8 69.93 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 112.108 0.41 . . . . 68.21 112.108 -174.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 90.3 t -62.24 -31.65 52.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 C-N-CA 120.503 -0.479 . . . . 65.88 110.429 177.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -86.74 7.26 27.56 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.826 0.676 . . . . 62.7 112.826 176.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.24 3.26 56.69 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 115.6 1.0 . . . . 65.14 115.6 176.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' LEU . . . . . . . . . . . . . 39.4 mt -88.0 174.76 8.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 118.363 1.082 . . . . 70.87 110.804 -176.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -99.27 -14.46 19.24 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.351 0.871 . . . . 87.59 113.351 -178.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -160.89 160.6 25.04 Favored Pre-proline 0 C--O 1.237 0.443 0 N-CA-C 108.348 -0.982 . . . . 89.59 108.348 -179.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -56.84 125.95 20.68 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 120.178 0.585 . . . . 68.29 111.568 179.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 20.3 m -137.29 -173.75 3.56 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.298 -1.001 . . . . 62.23 108.298 -176.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -137.36 146.62 27.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 N-CA-C 108.598 -0.89 . . . . 58.94 108.598 175.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.466 HG22 HG12 ' B' ' 35' ' ' ILE . 73.2 t -80.69 120.6 32.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 106.971 -1.492 . . . . 51.46 106.971 166.505 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 23.3 t -98.56 90.59 4.8 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 108.085 -1.079 . . . . 75.72 108.085 -171.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 96.8 m -70.86 -9.78 58.29 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 113.393 0.886 . . . . 57.31 113.393 -177.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -77.08 -13.31 59.97 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 112.861 0.689 . . . . 59.27 112.861 176.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -117.23 33.04 5.82 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.002 0.521 . . . . 61.09 111.429 -175.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 55.1 m -56.37 138.31 51.23 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.812 0.339 . . . . 54.64 110.835 177.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -146.36 151.11 36.95 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.753 -0.462 . . . . 82.46 109.753 179.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 91.8 m -107.04 122.58 46.75 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 108.082 -1.081 . . . . 56.03 108.082 174.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 31.5 pt -122.73 160.9 46.87 Favored Pre-proline 0 C--O 1.241 0.649 0 N-CA-C 108.073 -1.084 . . . . 58.49 108.073 -171.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -67.94 146.81 72.77 Favored 'Trans proline' 0 C--O 1.234 0.315 0 CA-C-O 121.502 0.543 . . . . 65.22 111.099 173.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.36 -30.35 49.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 CA-C-N 115.269 -0.878 . . . . 69.62 111.044 -178.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 26.4 p -66.97 -5.54 13.18 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.893 0.701 . . . . 84.06 112.893 176.826 58.824 115.502 -82.637 108.903 30.999 44.74 129.822 -74.965 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -98.84 8.55 44.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 118.428 0.558 . . . . 66.24 112.335 171.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 17.4 tp -100.31 123.46 44.57 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.213 -0.662 . . . . 70.91 109.213 -178.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . -97.81 -158.23 30.4 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-O 121.928 0.738 . . . . 68.71 112.84 -177.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -68.7 150.85 47.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.682 0.754 . . . . 84.92 111.304 -174.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -79.54 132.13 36.22 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.315 -0.857 . . . . 93.24 109.814 174.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 38.1 pt -117.73 -5.26 11.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 N-CA-C 112.804 0.668 . . . . 70.31 112.804 -175.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 174.6 -170.78 43.95 Favored Glycine 0 N--CA 1.45 -0.401 0 N-CA-C 111.07 -0.812 . . . . 74.3 111.07 178.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -128.71 166.54 18.75 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 114.527 -0.836 . . . . 114.61 110.255 -179.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 26.5 tp -97.51 125.72 42.36 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 107.627 -1.249 . . . . 64.34 107.627 160.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mp -63.21 150.81 42.12 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.506 0.669 . . . . 79.32 110.592 -175.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.9 88.8 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.504 -0.771 . . . . 70.39 111.306 -178.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 77.9 p -69.83 4.56 1.93 Allowed 'General case' 0 C--O 1.24 0.594 0 N-CA-C 113.061 0.763 . . . . 81.91 113.061 177.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -108.16 -2.95 18.99 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 123.344 0.657 . . . . 70.01 112.764 174.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -61.98 -42.96 85.15 Favored Pre-proline 0 C--O 1.243 0.757 0 CA-C-O 117.922 -1.037 . . . . 71.27 113.678 178.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -61.95 -38.6 56.95 Favored 'Trans proline' 0 C--O 1.239 0.528 0 CA-C-N 121.581 1.601 . . . . 82.41 113.26 176.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.06 -34.63 76.62 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 120.436 -0.506 . . . . 70.26 111.508 176.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 49.4 tp -69.83 -44.04 70.76 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.536 -0.466 . . . . 55.53 111.239 177.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.11 96.58 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.054 -0.658 . . . . 60.57 111.048 177.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -64.8 -40.14 94.74 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.207 -0.597 . . . . 102.32 111.213 178.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.27 -34.76 76.77 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.439 -0.504 . . . . 56.47 111.863 -179.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 46.6 mt -75.42 -49.03 28.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 C-N-CA 120.656 -0.418 . . . . 56.61 110.721 -179.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' GLY . . . . . 0.434 ' HA2' HD12 ' B' ' 98' ' ' LEU . . . -59.22 -35.07 82.89 Favored Glycine 0 C--N 1.336 0.558 0 C-N-CA 120.124 -1.036 . . . . 60.81 112.637 177.146 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -69.94 -38.24 76.13 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 122.248 -0.56 . . . . 82.14 111.103 175.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.95 -34.78 78.89 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.654 -0.418 . . . . 56.79 111.778 -178.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -107.87 2.85 23.74 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 113.411 0.893 . . . . 68.6 113.411 -173.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 39.8 t0 58.57 59.77 2.81 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 122.186 0.993 . . . . 88.93 110.949 175.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.434 HD12 ' HA2' ' B' ' 93' ' ' GLY . 5.0 mt -110.42 151.78 27.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.915 -1.039 . . . . 91.72 109.892 179.37 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -92.82 115.15 27.85 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.43 -0.581 . . . . 124.36 109.43 178.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' TRP . . . . . . . . . . . . . 2.5 m0 . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.014 0.435 . . . . 106.89 111.771 -178.437 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' SO4 . . . . . 0.689 ' O3 ' ' NH1' ' B' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . 0.626 ' O ' ' NH2' ' A' ' 20' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . 0.538 ' O ' ' HB2' ' A' ' 94' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 327' ' ' HOH . . . . . 0.574 ' O ' HD11 ' A' ' 35' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 301' ' ' HOH . . . . . 0.42 ' O ' ' HA ' ' B' ' 17' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 317' ' ' HOH . . . . . 0.64 ' O ' HG13 ' B' ' 32' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_