data_6eb6_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6eb6 _Structure_validation_residue.Date_analyzed 2019-04-05 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 ' 13' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo . . . . . 0 CA--C 1.531 0.356 0 CA-C-O 120.885 0.285 . . . . 99.89 111.778 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.9 t -95.69 3.34 54.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 82.95 112.02 169.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.1 p -65.34 150.39 48.36 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.505 0.669 . . . . 50.42 110.705 179.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.7 p -60.31 -32.18 70.98 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 119.839 -0.744 . . . . 48.68 111.22 177.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.13 -46.22 71.44 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.107 -0.637 . . . . 47.19 110.702 179.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -63.01 -38.51 91.47 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 112.119 0.414 . . . . 65.06 112.119 178.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.0 mt -68.0 -43.92 85.21 Favored 'Isoleucine or valine' 0 C--O 1.244 0.775 0 C-N-CA 120.528 -0.469 . . . . 37.26 110.485 -177.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 92.9 mmm -62.19 -44.53 96.38 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 122.21 -0.306 . . . . 45.26 111.481 173.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -62.44 -45.28 93.78 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.397 -0.521 . . . . 38.07 111.158 -179.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.3 m -63.66 -40.95 98.12 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.776 -0.77 . . . . 34.1 111.073 179.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.06 -43.74 95.0 Favored Glycine 0 C--N 1.337 0.633 0 C-N-CA 119.913 -1.137 . . . . 28.05 112.342 174.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.93 95.23 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 122.117 -0.637 . . . . 27.95 111.472 178.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.2 mt -71.59 -35.68 70.61 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 120.326 -0.55 . . . . 41.54 110.932 -176.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.7 tp -59.92 -51.09 71.16 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 120.835 0.35 . . . . 32.28 110.986 176.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.1 tp -59.78 -45.99 90.56 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.103 0.477 . . . . 46.32 110.911 177.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -61.38 -45.89 92.45 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 120.746 0.307 . . . . 40.4 111.565 179.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.38 -36.81 93.13 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 119.597 -1.287 . . . . 31.11 112.082 -174.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -66.34 -46.48 76.64 Favored 'General case' 0 C--O 1.235 0.33 0 O-C-N 122.562 -0.375 . . . . 44.97 110.975 177.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.1 mt -61.76 -47.07 95.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 120.843 0.354 . . . . 33.39 110.836 178.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -60.56 -37.17 80.4 Favored 'General case' 0 C--O 1.241 0.629 0 O-C-N 121.826 -0.546 . . . . 75.02 111.523 -179.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -60.22 -51.3 70.14 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.05 -0.66 . . . . 57.26 111.246 178.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.9 mmt85 -67.46 -37.68 83.29 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 120.516 -0.473 . . . . 48.9 111.107 178.007 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.69 -50.46 72.07 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.903 -0.319 . . . . 39.17 111.019 174.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.93 -34.77 90.82 Favored Glycine 0 C--N 1.338 0.664 0 C-N-CA 120.108 -1.044 . . . . 42.77 114.096 179.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -60.5 -32.98 71.96 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 117.633 0.716 . . . . 52.9 111.502 176.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 15.0 mtm -92.0 -28.1 17.41 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 113.218 0.822 . . . . 53.43 113.218 -176.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -150.63 16.7 0.96 Allowed Glycine 0 CA--C 1.508 -0.375 0 C-N-CA 117.774 -2.155 . . . . 46.21 116.847 -172.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 60.21 -126.61 41.92 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 119.666 -1.254 . . . . 71.26 110.272 -179.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -90.7 -2.04 57.84 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 113.6 0.963 . . . . 112.04 113.6 178.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.12 -40.87 31.25 Favored Pre-proline 0 C--O 1.244 0.782 0 N-CA-C 115.103 1.52 . . . . 71.92 115.103 -175.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -57.24 132.33 50.48 Favored 'Trans proline' 0 N--CA 1.473 0.28 0 CA-C-N 122.056 1.77 . . . . 68.81 112.881 -173.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -84.25 101.78 12.15 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 107.887 -1.153 . . . . 81.76 107.887 178.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -83.65 -37.05 23.32 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.556 0.576 . . . . 104.66 112.556 -170.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.52 21.29 12.41 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 124.339 1.056 . . . . 83.91 113.323 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.2 mt -138.54 141.76 39.29 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 107.476 -1.305 . . . . 71.36 107.476 163.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.65 126.61 84.18 Favored Pre-proline 0 C--N 1.318 -0.765 0 C-N-CA 118.708 -1.197 . . . . 69.17 110.599 -171.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -64.59 131.79 30.85 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 120.667 0.911 . . . . 49.35 111.36 179.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.0 t -106.91 124.13 36.35 Favored Pre-proline 0 C--O 1.238 0.497 0 N-CA-C 108.089 -1.078 . . . . 39.29 108.089 -178.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -57.88 137.36 80.59 Favored 'Trans proline' 0 C--N 1.331 -0.361 0 C-N-CA 120.489 0.792 . . . . 49.52 110.531 172.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -102.27 138.87 38.64 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.792 -0.363 . . . . 42.48 111.433 -174.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -77.71 177.31 8.24 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 122.002 0.906 . . . . 66.37 110.325 178.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.38 97.14 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.487 -0.779 . . . . 62.12 111.59 -171.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.0 m -64.79 -44.96 88.29 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.331 -0.548 . . . . 75.31 111.191 -178.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.4 m -65.62 -37.83 87.69 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 120.159 -0.616 . . . . 41.1 111.463 -179.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -59.94 -39.38 85.35 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.902 -0.719 . . . . 81.5 111.466 178.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -60.1 -42.18 94.13 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.06 -1.056 . . . . 78.76 111.033 176.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.63 -41.52 98.26 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.176 -0.61 . . . . 43.61 111.547 175.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.5 m -62.23 -39.24 92.18 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 119.224 -0.99 . . . . 47.42 111.388 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 82.2 mm-40 -64.54 -38.82 92.34 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 119.739 -0.784 . . . . 89.4 111.051 179.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 49.6 t -60.36 -53.37 58.44 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 120.962 0.41 . . . . 57.54 110.992 176.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.2 tp -56.77 -38.82 73.02 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 112.111 0.412 . . . . 46.79 112.111 177.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -59.69 -41.71 91.34 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.054 -0.659 . . . . 75.78 111.176 178.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 46.4 ttp85 -70.53 -40.6 73.37 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.815 -0.354 . . . . 73.61 111.19 -177.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.5 mm -66.53 -40.76 87.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 121.897 -0.502 . . . . 46.53 110.541 177.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -58.31 -40.36 93.91 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.553 -0.832 . . . . 38.64 112.885 177.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -64.04 -37.39 87.25 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 122.404 -0.468 . . . . 63.72 111.486 177.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -71.0 -41.94 70.26 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 119.516 -0.874 . . . . 70.61 111.161 178.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 99.1 mt -60.48 -37.33 80.71 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 119.916 -0.713 . . . . 39.57 111.093 177.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -54.93 -26.72 38.15 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.152 0.797 . . . . 57.53 113.152 174.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.0 p -99.93 13.78 32.71 Favored 'General case' 0 C--O 1.236 0.385 0 O-C-N 121.515 -0.741 . . . . 76.88 112.249 -177.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -92.94 108.61 20.13 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 108.209 -1.034 . . . . 42.39 108.209 172.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.7 mtm -63.15 -47.74 81.42 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.867 -0.606 . . . . 52.24 112.501 -171.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -59.89 -44.88 93.98 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 119.305 -0.958 . . . . 59.55 110.576 -178.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.9 tp -63.41 -45.4 91.17 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.465 -0.494 . . . . 35.99 111.159 179.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -62.02 -39.16 91.31 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 119.562 -0.855 . . . . 45.86 111.102 -178.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.8 ttt85 -56.83 -42.66 80.02 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 120.671 -0.412 . . . . 85.73 111.436 174.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 96.0 mmm -68.87 -44.03 74.16 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.28 -0.568 . . . . 64.63 111.093 -177.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 94.9 mt -67.88 -39.08 81.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 120.822 -0.351 . . . . 40.87 110.492 -178.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.07 -20.09 65.7 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 119.658 -0.817 . . . . 47.93 111.376 177.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.95 -12.8 59.33 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 112.989 0.737 . . . . 59.23 112.989 -178.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' VAL . . . . . 0.439 ' O ' ' NZ ' ' A' ' 123' ' ' LYS . 12.0 m -84.68 117.4 29.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-N 119.37 0.986 . . . . 62.0 108.404 176.383 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -137.73 94.26 2.88 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 105.205 -2.146 . . . . 100.87 105.205 174.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.39 147.78 52.13 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.899 -0.591 . . . . 72.82 109.662 -172.83 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . . . -79.16 -4.97 53.05 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.226 -0.897 . . . . 84.75 112.289 168.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.3 m -132.76 74.25 74.85 Favored Pre-proline 0 C--O 1.237 0.424 0 N-CA-C 108.963 -0.755 . . . . 66.43 108.963 -178.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -60.93 -26.67 83.55 Favored 'Trans proline' 0 C--O 1.239 0.538 0 N-CA-C 113.05 0.365 . . . . 55.88 113.05 -179.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -61.8 -36.22 80.48 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.688 0.28 . . . . 65.84 111.027 -179.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -67.29 -43.79 80.88 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 122.255 -0.278 . . . . 85.75 111.717 -178.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.5 p -72.22 -38.05 61.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 C-N-CA 118.482 -1.287 . . . . 43.74 110.939 176.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -51.92 -48.64 64.12 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 119.108 -1.037 . . . . 42.31 111.063 174.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -68.0 -42.05 81.32 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 118.985 -1.086 . . . . 44.25 111.299 -176.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 52.4 mtt85 -58.46 -40.49 82.79 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 119.039 -1.064 . . . . 92.58 110.499 179.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 53.4 t -71.7 -46.64 61.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 120.477 -0.489 . . . . 39.73 110.522 179.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.26 -49.74 76.03 Favored 'General case' 0 C--O 1.238 0.483 0 O-C-N 122.133 -0.354 . . . . 36.55 111.824 179.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.48 -35.57 79.41 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 119.336 -0.946 . . . . 38.47 111.258 -176.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -66.92 -46.28 75.29 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 119.555 -0.858 . . . . 55.5 110.954 178.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 41.2 ttm -58.04 -39.13 77.64 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.676 0.274 . . . . 41.98 111.681 -177.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -101.16 7.72 43.02 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.9 0.704 . . . . 55.92 112.9 -177.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.2 p -66.15 -24.85 66.74 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 120.317 -0.553 . . . . 61.8 111.807 177.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . . . -68.8 -26.53 65.24 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 118.106 0.412 . . . . 87.1 111.919 179.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 80.55 2.13 89.42 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-O 118.888 -0.951 . . . . 83.19 115.428 -178.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . . . -104.82 85.57 2.32 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 118.767 1.283 . . . . 100.02 108.044 177.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 105' ' ' PHE . 1.9 m-30 -78.83 147.17 33.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.427 0.632 . . . . 79.24 110.487 -176.161 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -153.88 178.57 9.77 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.549 -0.908 . . . . 51.49 108.549 157.007 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -65.04 -26.29 68.2 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.293 -0.867 . . . . 38.06 112.154 -168.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.29 -38.02 95.31 Favored Glycine 0 C--N 1.339 0.701 0 C-N-CA 119.512 -1.328 . . . . 35.98 112.585 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 54.6 mtt85 -69.64 -36.98 76.59 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 119.704 -0.799 . . . . 48.35 111.349 176.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.59 -46.26 95.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 C-N-CA 120.421 -0.512 . . . . 31.69 109.902 175.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 39.9 t -63.84 -42.77 96.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 O-C-N 121.853 -0.53 . . . . 50.35 110.871 -179.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.54 -37.37 80.98 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.351 -0.54 . . . . 31.91 110.917 -179.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 17.6 tp -64.64 -48.51 74.56 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.151 0.501 . . . . 46.55 111.072 178.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -66.1 -37.95 87.03 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.59 -0.444 . . . . 46.48 110.958 -179.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -60.39 -49.38 77.82 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 120.649 -0.421 . . . . 40.06 110.897 174.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -65.73 -40.89 92.64 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 119.205 -0.998 . . . . 37.54 111.174 -175.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.13 90.47 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.853 -0.739 . . . . 34.37 110.97 178.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 70.2 m -64.47 -41.95 96.21 Favored 'General case' 0 C--O 1.238 0.463 0 O-C-N 122.134 -0.354 . . . . 33.31 111.539 179.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -62.52 -38.74 91.13 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.692 -0.403 . . . . 63.95 111.032 177.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 63.3 mt -60.73 -41.77 95.98 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 119.365 -0.934 . . . . 37.86 110.648 176.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.2 t -65.58 -40.54 88.35 Favored 'Isoleucine or valine' 0 C--O 1.242 0.667 0 C-N-CA 120.064 -0.655 . . . . 42.75 110.609 179.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 61.6 mt -64.86 -37.05 86.34 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 120.778 -0.369 . . . . 50.75 111.59 -177.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' LYS . . . . . 0.489 ' NZ ' ' O ' ' A' ' 307' ' ' HOH . 38.0 mttm -57.28 -42.16 81.11 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 119.424 -0.91 . . . . 50.46 111.392 174.471 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.8 -44.37 85.91 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.509 -0.476 . . . . 51.17 111.503 174.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 18.0 mt -57.7 -47.55 82.05 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.563 -0.455 . . . . 69.35 110.901 174.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' CYS . . . . . 0.494 ' O ' ' O ' ' A' ' 301' ' ' HOH . 48.1 m -65.34 -14.05 59.93 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 113.316 0.858 . . . . 48.7 113.316 -179.727 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 13.2 t -111.89 8.33 20.36 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 119.068 0.849 . . . . 68.61 112.543 177.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt 61.9 48.1 5.54 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.823 0.849 . . . . 72.92 111.934 176.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 45.8 t -125.86 74.38 70.83 Favored Pre-proline 0 C--O 1.242 0.663 0 N-CA-C 108.647 -0.872 . . . . 57.36 108.647 175.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -67.45 -12.58 36.24 Favored 'Trans proline' 0 C--O 1.237 0.446 0 N-CA-C 114.954 1.098 . . . . 75.08 114.954 -172.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' GLU . . . . . 0.671 ' OE2' ' NH2' ' A' ' 134' ' ' ARG . 15.1 tp10 -75.29 -30.26 60.34 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 119.729 1.15 . . . . 112.96 112.158 179.808 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 61.0 mt -62.07 -20.68 64.25 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.642 -0.823 . . . . 77.66 111.877 174.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.04 -53.33 49.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 120.922 0.391 . . . . 62.53 110.602 179.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' ARG . . . . . 0.671 ' NH2' ' OE2' ' A' ' 131' ' ' GLU . 55.5 mtt-85 -65.59 -35.17 80.05 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.234 -0.586 . . . . 77.19 111.056 178.788 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 2.6 m -64.53 -45.65 86.27 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.97 -0.292 . . . . 60.67 110.936 -177.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 91.4 mt -73.43 -41.78 56.68 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-O 120.937 0.399 . . . . 47.47 110.777 -176.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 4.9 mtp -65.83 -38.97 90.35 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 119.346 -0.942 . . . . 74.43 110.718 178.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -58.85 -44.29 96.07 Favored Glycine 0 C--N 1.335 0.522 0 C-N-CA 120.581 -0.819 . . . . 39.38 112.125 175.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.57 90.91 Favored 'General case' 0 C--O 1.242 0.699 0 O-C-N 122.385 -0.479 . . . . 37.04 111.29 -179.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 61.2 m -62.7 -46.06 89.89 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 120.647 0.26 . . . . 32.89 111.421 179.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 54.3 mt -71.33 -34.41 70.52 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 120.454 -0.498 . . . . 45.45 111.718 179.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -60.69 -45.46 94.09 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 119.428 -0.909 . . . . 57.93 110.318 172.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -63.26 -39.93 95.98 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.915 -0.314 . . . . 36.87 111.113 177.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 54.5 tp -54.86 -48.2 73.23 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.921 0.391 . . . . 45.66 110.968 175.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 22.1 ttm105 -65.76 -46.94 76.92 Favored 'General case' 0 C--O 1.237 0.417 0 O-C-N 122.29 -0.256 . . . . 72.48 111.191 -178.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -78.56 -33.99 47.33 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 118.597 -1.241 . . . . 61.41 112.835 -171.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 24.4 tpt85 -105.98 -36.51 6.94 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 114.04 1.126 . . . . 75.65 114.04 -172.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 65.2 mt -111.46 -17.3 13.12 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 113.553 0.946 . . . . 39.12 113.553 -163.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.79 -40.85 94.15 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 118.085 0.402 . . . . 36.84 111.309 -172.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -65.21 -40.67 96.89 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 119.749 -1.215 . . . . 35.07 111.576 -175.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -69.15 -41.74 76.87 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 122.337 -0.508 . . . . 35.57 110.827 -179.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 90.1 mt -65.08 -38.4 82.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 120.554 -0.459 . . . . 31.99 110.692 -179.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -62.48 -39.84 94.74 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 119.368 -0.933 . . . . 42.48 110.761 174.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -62.24 -30.16 70.9 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.138 0.422 . . . . 77.01 112.138 177.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -79.57 -7.09 58.27 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 113.078 0.77 . . . . 54.0 113.078 178.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 90.56 10.56 63.35 Favored Glycine 0 C--O 1.242 0.619 0 CA-C-O 119.147 -0.807 . . . . 42.79 114.529 -175.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 106.51 -159.54 14.87 Favored Glycine 0 C--O 1.236 0.249 0 CA-C-N 118.253 1.026 . . . . 36.52 111.824 -178.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 75.8 m95 -82.75 -15.48 51.63 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.185 0.809 . . . . 39.15 113.185 -170.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -54.58 -33.32 60.1 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 112.919 0.711 . . . . 98.61 112.919 -174.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -65.41 -22.04 69.1 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 119.704 -1.236 . . . . 49.95 114.383 -177.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 26.5 tp -53.03 -39.35 63.12 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 117.715 0.757 . . . . 52.01 111.059 171.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 86.7 mt -67.42 -40.76 85.53 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 119.985 -0.686 . . . . 67.83 111.658 -177.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.95 -38.18 84.98 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.361 -0.536 . . . . 82.29 110.813 175.876 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -61.79 -39.71 92.68 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.832 -0.347 . . . . 65.21 111.324 -173.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -105.43 8.67 33.65 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 112.782 0.66 . . . . 78.27 112.782 -174.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -93.34 65.28 1.87 Allowed Glycine 0 N--CA 1.448 -0.5 0 N-CA-C 114.516 0.566 . . . . 85.41 114.516 178.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 50.5 p -139.32 154.17 71.64 Favored Pre-proline 0 C--O 1.238 0.479 0 N-CA-C 108.376 -0.972 . . . . 83.53 108.376 173.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.41 -31.08 94.21 Favored 'Trans proline' 0 C--O 1.238 0.481 0 N-CA-C 113.459 0.523 . . . . 93.37 113.459 178.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 77.6 p -95.8 38.47 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 118.236 0.471 . . . . 77.75 111.747 178.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -55.59 -24.26 31.92 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 121.889 -0.507 . . . . 74.43 111.952 173.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -68.46 -28.4 67.01 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 119.457 -0.897 . . . . 77.09 112.108 177.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' THR . . . . . . . . . . . . . 22.1 p -75.45 -36.59 60.69 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 119.303 -0.959 . . . . 77.0 111.447 175.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 83.9 t -54.39 -40.12 47.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 121.234 0.54 . . . . 48.32 110.712 168.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' THR . . . . . . . . . . . . . 24.5 m -73.02 -20.11 61.07 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 112.924 0.713 . . . . 50.24 112.924 -175.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' ILE . . . . . . . . . . . . . 29.4 mt -60.19 -41.84 88.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 118.953 0.797 . . . . 55.1 110.404 171.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -72.37 -35.98 68.63 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 121.801 -0.562 . . . . 43.04 111.637 178.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 91.6 t -58.17 -52.99 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 120.313 -0.555 . . . . 36.06 110.319 173.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -59.34 -37.56 78.13 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 118.624 -1.23 . . . . 35.64 110.776 175.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -63.99 -42.44 98.25 Favored Glycine 0 C--N 1.336 0.582 0 C-N-CA 120.428 -0.891 . . . . 37.08 113.59 -175.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 33.1 m -68.78 -34.84 66.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 C-N-CA 119.507 -0.877 . . . . 39.72 110.09 -178.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 15.7 tp -72.15 -42.75 65.61 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.935 -0.706 . . . . 34.13 110.802 179.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 71.6 m -58.02 -39.29 77.96 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.218 -0.593 . . . . 44.01 111.457 174.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -65.4 -40.57 93.6 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 119.703 -0.799 . . . . 41.73 111.222 -179.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 74.6 m -73.65 -32.04 63.8 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 119.449 -0.9 . . . . 50.31 111.684 -177.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 70.8 mt -67.59 -37.11 82.11 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.491 -0.483 . . . . 47.98 111.003 174.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 87.7 m -62.58 -39.05 92.47 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.546 -0.462 . . . . 56.91 110.714 175.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 27.8 mm -59.48 -52.75 57.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.098 0.475 . . . . 88.45 110.373 173.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 188' ' ' TRP . . . . . . . . . . . . . 22.1 t90 -60.04 -36.58 77.59 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.451 -0.5 . . . . 78.98 111.462 -178.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -68.07 -17.27 64.34 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 112.49 0.552 . . . . 89.61 112.49 178.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . . . -110.29 37.92 2.58 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 123.687 0.795 . . . . 106.26 111.445 175.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.21 0 O-C-N 121.911 -0.493 . . . . 104.53 111.044 -176.476 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . 0.494 ' O ' ' O ' ' A' ' 126' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . 0.642 ' O ' ' NH1' ' A' ' 134' ' ' 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 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . 0.489 ' O ' ' NZ ' ' A' ' 123' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 355' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 357' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo . . . . . 0 CA--C 1.531 0.356 0 CA-C-O 120.885 0.285 . . . . 99.89 111.778 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.9 t -95.69 3.34 54.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 82.95 112.02 169.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.1 p -65.34 150.39 48.36 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.505 0.669 . . . . 50.42 110.705 179.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.7 p -60.31 -32.18 70.98 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 119.839 -0.744 . . . . 48.68 111.22 177.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.13 -46.22 71.44 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.107 -0.637 . . . . 47.19 110.702 179.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -63.01 -38.51 91.47 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 112.119 0.414 . . . . 65.06 112.119 178.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.0 mt -68.0 -43.92 85.21 Favored 'Isoleucine or valine' 0 C--O 1.244 0.775 0 C-N-CA 120.528 -0.469 . . . . 37.26 110.485 -177.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 92.9 mmm -62.19 -44.53 96.38 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 122.21 -0.306 . . . . 45.26 111.481 173.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -62.44 -45.28 93.78 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.397 -0.521 . . . . 38.07 111.158 -179.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.3 m -63.66 -40.95 98.12 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.776 -0.77 . . . . 34.1 111.073 179.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.06 -43.74 95.0 Favored Glycine 0 C--N 1.337 0.633 0 C-N-CA 119.913 -1.137 . . . . 28.05 112.342 174.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.93 95.23 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 122.117 -0.637 . . . . 27.95 111.472 178.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.2 mt -71.59 -35.68 70.61 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 120.326 -0.55 . . . . 41.54 110.932 -176.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.7 tp -59.92 -51.09 71.16 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 120.835 0.35 . . . . 32.28 110.986 176.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . 0.45 HD23 ' HE3' ' A' ' 137' ' ' MET . 15.1 tp -59.78 -45.99 90.56 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.103 0.477 . . . . 46.32 110.911 177.11 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -61.38 -45.89 92.45 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 120.746 0.307 . . . . 40.4 111.565 179.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.38 -36.81 93.13 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 119.597 -1.287 . . . . 31.11 112.082 -174.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -66.34 -46.48 76.64 Favored 'General case' 0 C--O 1.235 0.33 0 O-C-N 122.562 -0.375 . . . . 44.97 110.975 177.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.1 mt -61.76 -47.07 95.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 120.843 0.354 . . . . 33.39 110.836 178.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -60.56 -37.17 80.4 Favored 'General case' 0 C--O 1.241 0.629 0 O-C-N 121.826 -0.546 . . . . 75.02 111.523 -179.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -60.22 -51.3 70.14 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.05 -0.66 . . . . 57.26 111.246 178.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.9 mmt85 -67.46 -37.68 83.29 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 120.516 -0.473 . . . . 48.9 111.107 178.007 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.69 -50.46 72.07 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.903 -0.319 . . . . 39.17 111.019 174.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.93 -34.77 90.82 Favored Glycine 0 C--N 1.338 0.664 0 C-N-CA 120.108 -1.044 . . . . 42.77 114.096 179.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -60.5 -32.98 71.96 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 117.633 0.716 . . . . 52.9 111.502 176.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 15.0 mtm -92.0 -28.1 17.41 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 113.218 0.822 . . . . 53.43 113.218 -176.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -150.63 16.7 0.96 Allowed Glycine 0 CA--C 1.508 -0.375 0 C-N-CA 117.774 -2.155 . . . . 46.21 116.847 -172.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 60.21 -126.61 41.92 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 119.666 -1.254 . . . . 71.26 110.272 -179.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -90.7 -2.04 57.84 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 113.6 0.963 . . . . 112.04 113.6 178.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.12 -40.87 31.25 Favored Pre-proline 0 C--O 1.244 0.782 0 N-CA-C 115.103 1.52 . . . . 71.92 115.103 -175.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -57.24 132.33 50.48 Favored 'Trans proline' 0 N--CA 1.473 0.28 0 CA-C-N 122.056 1.77 . . . . 68.81 112.881 -173.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -84.25 101.78 12.15 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 107.887 -1.153 . . . . 81.76 107.887 178.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . 0.6 HD23 ' H ' ' A' ' 45' ' ' LEU . 1.3 pt? -83.65 -37.05 23.32 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.556 0.576 . . . . 104.66 112.556 -170.806 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.52 21.29 12.41 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 124.339 1.056 . . . . 83.91 113.323 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.2 mt -138.54 141.76 39.29 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 107.476 -1.305 . . . . 71.36 107.476 163.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.65 126.61 84.18 Favored Pre-proline 0 C--N 1.318 -0.765 0 C-N-CA 118.708 -1.197 . . . . 69.17 110.599 -171.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PRO . . . . . 0.45 ' HG3' HD11 ' A' ' 45' ' ' LEU . 44.8 Cg_exo -64.59 131.79 30.85 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 120.667 0.911 . . . . 49.35 111.36 179.447 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.0 t -106.91 124.13 36.35 Favored Pre-proline 0 C--O 1.238 0.497 0 N-CA-C 108.089 -1.078 . . . . 39.29 108.089 -178.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -57.88 137.36 80.59 Favored 'Trans proline' 0 C--N 1.331 -0.361 0 C-N-CA 120.489 0.792 . . . . 49.52 110.531 172.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -102.27 138.87 38.64 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.792 -0.363 . . . . 42.48 111.433 -174.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -77.71 177.31 8.24 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 122.002 0.906 . . . . 66.37 110.325 178.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.38 97.14 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.487 -0.779 . . . . 62.12 111.59 -171.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.0 m -64.79 -44.96 88.29 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.331 -0.548 . . . . 75.31 111.191 -178.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.4 m -65.62 -37.83 87.69 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 120.159 -0.616 . . . . 41.1 111.463 -179.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -59.94 -39.38 85.35 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.902 -0.719 . . . . 81.5 111.466 178.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -60.1 -42.18 94.13 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.06 -1.056 . . . . 78.76 111.033 176.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.63 -41.52 98.26 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.176 -0.61 . . . . 43.61 111.547 175.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.5 m -62.23 -39.24 92.18 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 119.224 -0.99 . . . . 47.42 111.388 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 82.2 mm-40 -64.54 -38.82 92.34 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 119.739 -0.784 . . . . 89.4 111.051 179.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 49.6 t -60.36 -53.37 58.44 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 120.962 0.41 . . . . 57.54 110.992 176.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.2 tp -56.77 -38.82 73.02 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 112.111 0.412 . . . . 46.79 112.111 177.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -59.69 -41.71 91.34 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.054 -0.659 . . . . 75.78 111.176 178.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 46.4 ttp85 -70.53 -40.6 73.37 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.815 -0.354 . . . . 73.61 111.19 -177.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.5 mm -66.53 -40.76 87.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 121.897 -0.502 . . . . 46.53 110.541 177.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -58.31 -40.36 93.91 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.553 -0.832 . . . . 38.64 112.885 177.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -64.04 -37.39 87.25 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 122.404 -0.468 . . . . 63.72 111.486 177.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -71.0 -41.94 70.26 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 119.516 -0.874 . . . . 70.61 111.161 178.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 99.1 mt -60.48 -37.33 80.71 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 119.916 -0.713 . . . . 39.57 111.093 177.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -54.93 -26.72 38.15 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.152 0.797 . . . . 57.53 113.152 174.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.0 p -99.93 13.78 32.71 Favored 'General case' 0 C--O 1.236 0.385 0 O-C-N 121.515 -0.741 . . . . 76.88 112.249 -177.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -92.94 108.61 20.13 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 108.209 -1.034 . . . . 42.39 108.209 172.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.7 mtm -63.15 -47.74 81.42 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.867 -0.606 . . . . 52.24 112.501 -171.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -59.89 -44.88 93.98 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 119.305 -0.958 . . . . 59.55 110.576 -178.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.9 tp -63.41 -45.4 91.17 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.465 -0.494 . . . . 35.99 111.159 179.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -62.02 -39.16 91.31 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 119.562 -0.855 . . . . 45.86 111.102 -178.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.8 ttt85 -56.83 -42.66 80.02 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 120.671 -0.412 . . . . 85.73 111.436 174.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 96.0 mmm -68.87 -44.03 74.16 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.28 -0.568 . . . . 64.63 111.093 -177.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ILE . . . . . 0.548 ' O ' HG22 ' A' ' 83' ' ' VAL . 94.9 mt -67.88 -39.08 81.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 120.822 -0.351 . . . . 40.87 110.492 -178.855 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.07 -20.09 65.7 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 119.658 -0.817 . . . . 47.93 111.376 177.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.95 -12.8 59.33 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 112.989 0.737 . . . . 59.23 112.989 -178.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 80' ' ' ILE . 12.0 m -84.68 117.4 29.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-N 119.37 0.986 . . . . 62.0 108.404 176.383 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -137.73 94.26 2.88 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 105.205 -2.146 . . . . 100.87 105.205 174.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.39 147.78 52.13 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.899 -0.591 . . . . 72.82 109.662 -172.83 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . . . -79.16 -4.97 53.05 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.226 -0.897 . . . . 84.75 112.289 168.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.3 m -132.76 74.25 74.85 Favored Pre-proline 0 C--O 1.237 0.424 0 N-CA-C 108.963 -0.755 . . . . 66.43 108.963 -178.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' PRO . . . . . 0.457 ' HG2' HD13 ' A' ' 132' ' ' LEU . 24.8 Cg_exo -60.93 -26.67 83.55 Favored 'Trans proline' 0 C--O 1.239 0.538 0 N-CA-C 113.05 0.365 . . . . 55.88 113.05 -179.329 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -61.8 -36.22 80.48 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.688 0.28 . . . . 65.84 111.027 -179.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -67.29 -43.79 80.88 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 122.255 -0.278 . . . . 85.75 111.717 -178.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.5 p -72.22 -38.05 61.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 C-N-CA 118.482 -1.287 . . . . 43.74 110.939 176.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -51.92 -48.64 64.12 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 119.108 -1.037 . . . . 42.31 111.063 174.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -68.0 -42.05 81.32 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 118.985 -1.086 . . . . 44.25 111.299 -176.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ARG . . . . . 0.684 ' HD2' ' HD1' ' A' ' 188' ' ' TRP . 52.4 mtt85 -58.46 -40.49 82.79 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 119.039 -1.064 . . . . 92.58 110.499 179.958 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 53.4 t -71.7 -46.64 61.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 120.477 -0.489 . . . . 39.73 110.522 179.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.26 -49.74 76.03 Favored 'General case' 0 C--O 1.238 0.483 0 O-C-N 122.133 -0.354 . . . . 36.55 111.824 179.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.48 -35.57 79.41 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 119.336 -0.946 . . . . 38.47 111.258 -176.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -66.92 -46.28 75.29 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 119.555 -0.858 . . . . 55.5 110.954 178.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 41.2 ttm -58.04 -39.13 77.64 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.676 0.274 . . . . 41.98 111.681 -177.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -101.16 7.72 43.02 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.9 0.704 . . . . 55.92 112.9 -177.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.2 p -66.15 -24.85 66.74 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 120.317 -0.553 . . . . 61.8 111.807 177.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . . . -68.8 -26.53 65.24 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 118.106 0.412 . . . . 87.1 111.919 179.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 80.55 2.13 89.42 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-O 118.888 -0.951 . . . . 83.19 115.428 -178.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . . . -104.82 85.57 2.32 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 118.767 1.283 . . . . 100.02 108.044 177.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 105' ' ' PHE . 1.9 m-30 -78.83 147.17 33.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.427 0.632 . . . . 79.24 110.487 -176.161 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -153.88 178.57 9.77 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.549 -0.908 . . . . 51.49 108.549 157.007 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -65.04 -26.29 68.2 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.293 -0.867 . . . . 38.06 112.154 -168.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.29 -38.02 95.31 Favored Glycine 0 C--N 1.339 0.701 0 C-N-CA 119.512 -1.328 . . . . 35.98 112.585 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 54.6 mtt85 -69.64 -36.98 76.59 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 119.704 -0.799 . . . . 48.35 111.349 176.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.59 -46.26 95.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 C-N-CA 120.421 -0.512 . . . . 31.69 109.902 175.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' VAL . . . . . 0.435 HG21 ' CE2' ' A' ' 165' ' ' PHE . 39.9 t -63.84 -42.77 96.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 O-C-N 121.853 -0.53 . . . . 50.35 110.871 -179.407 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.54 -37.37 80.98 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.351 -0.54 . . . . 31.91 110.917 -179.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 17.6 tp -64.64 -48.51 74.56 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.151 0.501 . . . . 46.55 111.072 178.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -66.1 -37.95 87.03 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.59 -0.444 . . . . 46.48 110.958 -179.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -60.39 -49.38 77.82 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 120.649 -0.421 . . . . 40.06 110.897 174.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -65.73 -40.89 92.64 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 119.205 -0.998 . . . . 37.54 111.174 -175.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.13 90.47 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.853 -0.739 . . . . 34.37 110.97 178.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 70.2 m -64.47 -41.95 96.21 Favored 'General case' 0 C--O 1.238 0.463 0 O-C-N 122.134 -0.354 . . . . 33.31 111.539 179.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -62.52 -38.74 91.13 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.692 -0.403 . . . . 63.95 111.032 177.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 63.3 mt -60.73 -41.77 95.98 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 119.365 -0.934 . . . . 37.86 110.648 176.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.2 t -65.58 -40.54 88.35 Favored 'Isoleucine or valine' 0 C--O 1.242 0.667 0 C-N-CA 120.064 -0.655 . . . . 42.75 110.609 179.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 61.6 mt -64.86 -37.05 86.34 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 120.778 -0.369 . . . . 50.75 111.59 -177.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' LYS . . . . . 0.439 ' NZ ' ' O ' ' A' ' 83' ' ' VAL . 38.0 mttm -57.28 -42.16 81.11 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 119.424 -0.91 . . . . 50.46 111.392 174.471 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ALA . . . . . 0.436 ' HA ' HG22 ' A' ' 127' ' ' THR . . . -65.8 -44.37 85.91 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.509 -0.476 . . . . 51.17 111.503 174.08 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 18.0 mt -57.7 -47.55 82.05 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.563 -0.455 . . . . 69.35 110.901 174.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' CYS . . . . . 0.494 ' O ' ' O ' ' A' ' 301' ' ' HOH . 48.1 m -65.34 -14.05 59.93 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 113.316 0.858 . . . . 48.7 113.316 -179.727 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 127' ' ' THR . . . . . 0.557 HG23 HG23 ' A' ' 129' ' ' VAL . 13.2 t -111.89 8.33 20.36 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 119.068 0.849 . . . . 68.61 112.543 177.096 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt 61.9 48.1 5.54 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.823 0.849 . . . . 72.92 111.934 176.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' VAL . . . . . 0.557 HG23 HG23 ' A' ' 127' ' ' THR . 45.8 t -125.86 74.38 70.83 Favored Pre-proline 0 C--O 1.242 0.663 0 N-CA-C 108.647 -0.872 . . . . 57.36 108.647 175.989 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -67.45 -12.58 36.24 Favored 'Trans proline' 0 C--O 1.237 0.446 0 N-CA-C 114.954 1.098 . . . . 75.08 114.954 -172.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' GLU . . . . . 0.671 ' OE2' ' NH2' ' A' ' 134' ' ' ARG . 15.1 tp10 -75.29 -30.26 60.34 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 119.729 1.15 . . . . 112.96 112.158 179.808 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 132' ' ' LEU . . . . . 0.457 HD13 ' HG2' ' A' ' 88' ' ' PRO . 61.0 mt -62.07 -20.68 64.25 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.642 -0.823 . . . . 77.66 111.877 174.496 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.04 -53.33 49.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 120.922 0.391 . . . . 62.53 110.602 179.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' ARG . . . . . 0.671 ' NH2' ' OE2' ' A' ' 131' ' ' GLU . 55.5 mtt-85 -65.59 -35.17 80.05 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.234 -0.586 . . . . 77.19 111.056 178.788 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 2.6 m -64.53 -45.65 86.27 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.97 -0.292 . . . . 60.67 110.936 -177.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 91.4 mt -73.43 -41.78 56.68 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-O 120.937 0.399 . . . . 47.47 110.777 -176.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' MET . . . . . 0.45 ' HE3' HD23 ' A' ' 27' ' ' LEU . 4.9 mtp -65.83 -38.97 90.35 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 119.346 -0.942 . . . . 74.43 110.718 178.149 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -58.85 -44.29 96.07 Favored Glycine 0 C--N 1.335 0.522 0 C-N-CA 120.581 -0.819 . . . . 39.38 112.125 175.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.57 90.91 Favored 'General case' 0 C--O 1.242 0.699 0 O-C-N 122.385 -0.479 . . . . 37.04 111.29 -179.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 61.2 m -62.7 -46.06 89.89 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 120.647 0.26 . . . . 32.89 111.421 179.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 54.3 mt -71.33 -34.41 70.52 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 120.454 -0.498 . . . . 45.45 111.718 179.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -60.69 -45.46 94.09 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 119.428 -0.909 . . . . 57.93 110.318 172.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -63.26 -39.93 95.98 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.915 -0.314 . . . . 36.87 111.113 177.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 54.5 tp -54.86 -48.2 73.23 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.921 0.391 . . . . 45.66 110.968 175.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 22.1 ttm105 -65.76 -46.94 76.92 Favored 'General case' 0 C--O 1.237 0.417 0 O-C-N 122.29 -0.256 . . . . 72.48 111.191 -178.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -78.56 -33.99 47.33 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 118.597 -1.241 . . . . 61.41 112.835 -171.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 24.4 tpt85 -105.98 -36.51 6.94 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 114.04 1.126 . . . . 75.65 114.04 -172.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 65.2 mt -111.46 -17.3 13.12 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 113.553 0.946 . . . . 39.12 113.553 -163.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.79 -40.85 94.15 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 118.085 0.402 . . . . 36.84 111.309 -172.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -65.21 -40.67 96.89 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 119.749 -1.215 . . . . 35.07 111.576 -175.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 151' ' ' TRP . . . . . 0.488 ' O ' ' HG2' ' A' ' 155' ' ' GLN . 89.7 t90 -69.15 -41.74 76.87 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 122.337 -0.508 . . . . 35.57 110.827 -179.364 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 90.1 mt -65.08 -38.4 82.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 120.554 -0.459 . . . . 31.99 110.692 -179.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -62.48 -39.84 94.74 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 119.368 -0.933 . . . . 42.48 110.761 174.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -62.24 -30.16 70.9 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.138 0.422 . . . . 77.01 112.138 177.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 155' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 151' ' ' TRP . 89.0 mm-40 -79.57 -7.09 58.27 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 113.078 0.77 . . . . 54.0 113.078 178.914 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 90.56 10.56 63.35 Favored Glycine 0 C--O 1.242 0.619 0 CA-C-O 119.147 -0.807 . . . . 42.79 114.529 -175.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 106.51 -159.54 14.87 Favored Glycine 0 C--O 1.236 0.249 0 CA-C-N 118.253 1.026 . . . . 36.52 111.824 -178.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 75.8 m95 -82.75 -15.48 51.63 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.185 0.809 . . . . 39.15 113.185 -170.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -54.58 -33.32 60.1 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 112.919 0.711 . . . . 98.61 112.919 -174.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -65.41 -22.04 69.1 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 119.704 -1.236 . . . . 49.95 114.383 -177.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 26.5 tp -53.03 -39.35 63.12 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 117.715 0.757 . . . . 52.01 111.059 171.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 86.7 mt -67.42 -40.76 85.53 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 119.985 -0.686 . . . . 67.83 111.658 -177.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.95 -38.18 84.98 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.361 -0.536 . . . . 82.29 110.813 175.876 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -61.79 -39.71 92.68 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.832 -0.347 . . . . 65.21 111.324 -173.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 165' ' ' PHE . . . . . 0.435 ' CE2' HG21 ' A' ' 111' ' ' VAL . 74.8 m-85 -105.43 8.67 33.65 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 112.782 0.66 . . . . 78.27 112.782 -174.894 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -93.34 65.28 1.87 Allowed Glycine 0 N--CA 1.448 -0.5 0 N-CA-C 114.516 0.566 . . . . 85.41 114.516 178.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 50.5 p -139.32 154.17 71.64 Favored Pre-proline 0 C--O 1.238 0.479 0 N-CA-C 108.376 -0.972 . . . . 83.53 108.376 173.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 168' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.41 -31.08 94.21 Favored 'Trans proline' 0 C--O 1.238 0.481 0 N-CA-C 113.459 0.523 . . . . 93.37 113.459 178.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 77.6 p -95.8 38.47 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 118.236 0.471 . . . . 77.75 111.747 178.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 170' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -55.59 -24.26 31.92 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 121.889 -0.507 . . . . 74.43 111.952 173.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 171' ' ' GLN . . . . . 0.465 ' HB2' ' O ' ' A' ' 342' ' ' HOH . 27.9 mt-30 -68.46 -28.4 67.01 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 119.457 -0.897 . . . . 77.09 112.108 177.987 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 172' ' ' THR . . . . . . . . . . . . . 22.1 p -75.45 -36.59 60.69 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 119.303 -0.959 . . . . 77.0 111.447 175.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 83.9 t -54.39 -40.12 47.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 121.234 0.54 . . . . 48.32 110.712 168.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 174' ' ' THR . . . . . . . . . . . . . 24.5 m -73.02 -20.11 61.07 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 112.924 0.713 . . . . 50.24 112.924 -175.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 175' ' ' ILE . . . . . . . . . . . . . 29.4 mt -60.19 -41.84 88.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 118.953 0.797 . . . . 55.1 110.404 171.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -72.37 -35.98 68.63 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 121.801 -0.562 . . . . 43.04 111.637 178.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 91.6 t -58.17 -52.99 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 120.313 -0.555 . . . . 36.06 110.319 173.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -59.34 -37.56 78.13 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 118.624 -1.23 . . . . 35.64 110.776 175.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -63.99 -42.44 98.25 Favored Glycine 0 C--N 1.336 0.582 0 C-N-CA 120.428 -0.891 . . . . 37.08 113.59 -175.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 33.1 m -68.78 -34.84 66.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 C-N-CA 119.507 -0.877 . . . . 39.72 110.09 -178.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 15.7 tp -72.15 -42.75 65.61 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.935 -0.706 . . . . 34.13 110.802 179.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 71.6 m -58.02 -39.29 77.96 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.218 -0.593 . . . . 44.01 111.457 174.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -65.4 -40.57 93.6 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 119.703 -0.799 . . . . 41.73 111.222 -179.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 74.6 m -73.65 -32.04 63.8 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 119.449 -0.9 . . . . 50.31 111.684 -177.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 70.8 mt -67.59 -37.11 82.11 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.491 -0.483 . . . . 47.98 111.003 174.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 87.7 m -62.58 -39.05 92.47 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.546 -0.462 . . . . 56.91 110.714 175.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 27.8 mm -59.48 -52.75 57.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.098 0.475 . . . . 88.45 110.373 173.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 188' ' ' TRP . . . . . 0.684 ' HD1' ' HD2' ' A' ' 94' ' ' ARG . 22.1 t90 -60.04 -36.58 77.59 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.451 -0.5 . . . . 78.98 111.462 -178.401 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -68.07 -17.27 64.34 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 112.49 0.552 . . . . 89.61 112.49 178.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . . . -110.29 37.92 2.58 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 123.687 0.795 . . . . 106.26 111.445 175.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.21 0 O-C-N 121.911 -0.493 . . . . 104.53 111.044 -176.476 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . 0.494 ' O ' ' O ' ' A' ' 126' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . 0.629 ' O ' ' NH1' ' A' ' 134' ' ' 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 0 . 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 0 . 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 ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 342' ' ' HOH . . . . . 0.465 ' O ' ' HB2' ' A' ' 171' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 355' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 357' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo . . . . . 0 CA--C 1.531 0.356 0 CA-C-O 120.885 0.285 . . . . 99.89 111.778 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.9 t -95.69 3.34 54.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 82.95 112.02 169.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.1 p -65.34 150.39 48.36 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.505 0.669 . . . . 50.42 110.705 179.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.7 p -60.31 -32.18 70.98 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 119.839 -0.744 . . . . 48.68 111.22 177.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.13 -46.22 71.44 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.107 -0.637 . . . . 47.19 110.702 179.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -63.01 -38.51 91.47 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 112.119 0.414 . . . . 65.06 112.119 178.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 71.0 mt -68.0 -43.92 85.21 Favored 'Isoleucine or valine' 0 C--O 1.244 0.775 0 C-N-CA 120.528 -0.469 . . . . 37.26 110.485 -177.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 92.9 mmm -62.19 -44.53 96.38 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 122.21 -0.306 . . . . 45.26 111.481 173.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -62.44 -45.28 93.78 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.397 -0.521 . . . . 38.07 111.158 -179.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.3 m -63.66 -40.95 98.12 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.776 -0.77 . . . . 34.1 111.073 179.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.06 -43.74 95.0 Favored Glycine 0 C--N 1.337 0.633 0 C-N-CA 119.913 -1.137 . . . . 28.05 112.342 174.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.93 95.23 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 122.117 -0.637 . . . . 27.95 111.472 178.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.2 mt -71.59 -35.68 70.61 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 120.326 -0.55 . . . . 41.54 110.932 -176.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.7 tp -59.92 -51.09 71.16 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 120.835 0.35 . . . . 32.28 110.986 176.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.45 HD23 ' HE3' ' A' ' 137' ' ' MET . 15.1 tp -59.78 -45.99 90.56 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.103 0.477 . . . . 46.32 110.911 177.11 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -61.38 -45.89 92.45 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 120.746 0.307 . . . . 40.4 111.565 179.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.38 -36.81 93.13 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 119.597 -1.287 . . . . 31.11 112.082 -174.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -66.34 -46.48 76.64 Favored 'General case' 0 C--O 1.235 0.33 0 O-C-N 122.562 -0.375 . . . . 44.97 110.975 177.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.1 mt -61.76 -47.07 95.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 120.843 0.354 . . . . 33.39 110.836 178.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -60.56 -37.17 80.4 Favored 'General case' 0 C--O 1.241 0.629 0 O-C-N 121.826 -0.546 . . . . 75.02 111.523 -179.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -60.22 -51.3 70.14 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.05 -0.66 . . . . 57.26 111.246 178.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.9 mmt85 -67.46 -37.68 83.29 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 120.516 -0.473 . . . . 48.9 111.107 178.007 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.69 -50.46 72.07 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.903 -0.319 . . . . 39.17 111.019 174.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.93 -34.77 90.82 Favored Glycine 0 C--N 1.338 0.664 0 C-N-CA 120.108 -1.044 . . . . 42.77 114.096 179.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -60.5 -32.98 71.96 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 117.633 0.716 . . . . 52.9 111.502 176.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 15.0 mtm -92.0 -28.1 17.41 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 113.218 0.822 . . . . 53.43 113.218 -176.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -150.63 16.7 0.96 Allowed Glycine 0 CA--C 1.508 -0.375 0 C-N-CA 117.774 -2.155 . . . . 46.21 116.847 -172.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 60.21 -126.61 41.92 Favored Glycine 0 C--N 1.333 0.387 0 C-N-CA 119.666 -1.254 . . . . 71.26 110.272 -179.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -90.7 -2.04 57.84 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 113.6 0.963 . . . . 112.04 113.6 178.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.12 -40.87 31.25 Favored Pre-proline 0 C--O 1.244 0.782 0 N-CA-C 115.103 1.52 . . . . 71.92 115.103 -175.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -57.24 132.33 50.48 Favored 'Trans proline' 0 N--CA 1.473 0.28 0 CA-C-N 122.056 1.77 . . . . 68.81 112.881 -173.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . . . -84.25 101.78 12.15 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 107.887 -1.153 . . . . 81.76 107.887 178.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.6 HD23 ' H ' ' A' ' 45' ' ' LEU . 1.3 pt? -83.65 -37.05 23.32 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 112.556 0.576 . . . . 104.66 112.556 -170.806 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.52 21.29 12.41 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 124.339 1.056 . . . . 83.91 113.323 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.2 mt -138.54 141.76 39.29 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 107.476 -1.305 . . . . 71.36 107.476 163.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.65 126.61 84.18 Favored Pre-proline 0 C--N 1.318 -0.765 0 C-N-CA 118.708 -1.197 . . . . 69.17 110.599 -171.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.45 ' HG3' HD11 ' A' ' 45' ' ' LEU . 44.8 Cg_exo -64.59 131.79 30.85 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 120.667 0.911 . . . . 49.35 111.36 179.447 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.0 t -106.91 124.13 36.35 Favored Pre-proline 0 C--O 1.238 0.497 0 N-CA-C 108.089 -1.078 . . . . 39.29 108.089 -178.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -57.88 137.36 80.59 Favored 'Trans proline' 0 C--N 1.331 -0.361 0 C-N-CA 120.489 0.792 . . . . 49.52 110.531 172.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -102.27 138.87 38.64 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.792 -0.363 . . . . 42.48 111.433 -174.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -77.71 177.31 8.24 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 122.002 0.906 . . . . 66.37 110.325 178.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.38 97.14 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.487 -0.779 . . . . 62.12 111.59 -171.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.0 m -64.79 -44.96 88.29 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.331 -0.548 . . . . 75.31 111.191 -178.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.4 m -65.62 -37.83 87.69 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 120.159 -0.616 . . . . 41.1 111.463 -179.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -59.94 -39.38 85.35 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.902 -0.719 . . . . 81.5 111.466 178.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -60.1 -42.18 94.13 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.06 -1.056 . . . . 78.76 111.033 176.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.63 -41.52 98.26 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.176 -0.61 . . . . 43.61 111.547 175.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.5 m -62.23 -39.24 92.18 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 119.224 -0.99 . . . . 47.42 111.388 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 82.2 mm-40 -64.54 -38.82 92.34 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 119.739 -0.784 . . . . 89.4 111.051 179.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 49.6 t -60.36 -53.37 58.44 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 120.962 0.41 . . . . 57.54 110.992 176.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.2 tp -56.77 -38.82 73.02 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 112.111 0.412 . . . . 46.79 112.111 177.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -59.69 -41.71 91.34 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.054 -0.659 . . . . 75.78 111.176 178.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 46.4 ttp85 -70.53 -40.6 73.37 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.815 -0.354 . . . . 73.61 111.19 -177.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.5 mm -66.53 -40.76 87.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 O-C-N 121.897 -0.502 . . . . 46.53 110.541 177.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -58.31 -40.36 93.91 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.553 -0.832 . . . . 38.64 112.885 177.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -64.04 -37.39 87.25 Favored 'General case' 0 C--O 1.239 0.517 0 O-C-N 122.404 -0.468 . . . . 63.72 111.486 177.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -71.0 -41.94 70.26 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 119.516 -0.874 . . . . 70.61 111.161 178.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 99.1 mt -60.48 -37.33 80.71 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 119.916 -0.713 . . . . 39.57 111.093 177.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -54.93 -26.72 38.15 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.152 0.797 . . . . 57.53 113.152 174.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.0 p -99.93 13.78 32.71 Favored 'General case' 0 C--O 1.236 0.385 0 O-C-N 121.515 -0.741 . . . . 76.88 112.249 -177.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -92.94 108.61 20.13 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 108.209 -1.034 . . . . 42.39 108.209 172.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.7 mtm -63.15 -47.74 81.42 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 115.867 -0.606 . . . . 52.24 112.501 -171.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -59.89 -44.88 93.98 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 119.305 -0.958 . . . . 59.55 110.576 -178.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.9 tp -63.41 -45.4 91.17 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.465 -0.494 . . . . 35.99 111.159 179.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -62.02 -39.16 91.31 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 119.562 -0.855 . . . . 45.86 111.102 -178.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.8 ttt85 -56.83 -42.66 80.02 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 120.671 -0.412 . . . . 85.73 111.436 174.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 96.0 mmm -68.87 -44.03 74.16 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.28 -0.568 . . . . 64.63 111.093 -177.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.548 ' O ' HG22 ' A' ' 83' ' ' VAL . 94.9 mt -67.88 -39.08 81.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 120.822 -0.351 . . . . 40.87 110.492 -178.855 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.07 -20.09 65.7 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 119.658 -0.817 . . . . 47.93 111.376 177.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.95 -12.8 59.33 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 112.989 0.737 . . . . 59.23 112.989 -178.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 80' ' ' ILE . 12.0 m -84.68 117.4 29.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-N 119.37 0.986 . . . . 62.0 108.404 176.383 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -137.73 94.26 2.88 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 105.205 -2.146 . . . . 100.87 105.205 174.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.39 147.78 52.13 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.899 -0.591 . . . . 72.82 109.662 -172.83 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . . . -79.16 -4.97 53.05 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.226 -0.897 . . . . 84.75 112.289 168.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.3 m -132.76 74.25 74.85 Favored Pre-proline 0 C--O 1.237 0.424 0 N-CA-C 108.963 -0.755 . . . . 66.43 108.963 -178.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.457 ' HG2' HD13 ' A' ' 132' ' ' LEU . 24.8 Cg_exo -60.93 -26.67 83.55 Favored 'Trans proline' 0 C--O 1.239 0.538 0 N-CA-C 113.05 0.365 . . . . 55.88 113.05 -179.329 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -61.8 -36.22 80.48 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.688 0.28 . . . . 65.84 111.027 -179.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -67.29 -43.79 80.88 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 122.255 -0.278 . . . . 85.75 111.717 -178.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.5 p -72.22 -38.05 61.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 C-N-CA 118.482 -1.287 . . . . 43.74 110.939 176.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -51.92 -48.64 64.12 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 119.108 -1.037 . . . . 42.31 111.063 174.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -68.0 -42.05 81.32 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 118.985 -1.086 . . . . 44.25 111.299 -176.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.684 ' HD2' ' HD1' ' A' ' 188' ' ' TRP . 52.4 mtt85 -58.46 -40.49 82.79 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 119.039 -1.064 . . . . 92.58 110.499 179.958 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 53.4 t -71.7 -46.64 61.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 120.477 -0.489 . . . . 39.73 110.522 179.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.26 -49.74 76.03 Favored 'General case' 0 C--O 1.238 0.483 0 O-C-N 122.133 -0.354 . . . . 36.55 111.824 179.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.48 -35.57 79.41 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 119.336 -0.946 . . . . 38.47 111.258 -176.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -66.92 -46.28 75.29 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 119.555 -0.858 . . . . 55.5 110.954 178.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 41.2 ttm -58.04 -39.13 77.64 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.676 0.274 . . . . 41.98 111.681 -177.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -101.16 7.72 43.02 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.9 0.704 . . . . 55.92 112.9 -177.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.2 p -66.15 -24.85 66.74 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 120.317 -0.553 . . . . 61.8 111.807 177.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . . . -68.8 -26.53 65.24 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 118.106 0.412 . . . . 87.1 111.919 179.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 80.55 2.13 89.42 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-O 118.888 -0.951 . . . . 83.19 115.428 -178.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . . . -104.82 85.57 2.32 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 118.767 1.283 . . . . 100.02 108.044 177.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 105' ' ' PHE . 1.9 m-30 -78.83 147.17 33.32 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.427 0.632 . . . . 79.24 110.487 -176.161 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -153.88 178.57 9.77 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.549 -0.908 . . . . 51.49 108.549 157.007 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -65.04 -26.29 68.2 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.293 -0.867 . . . . 38.06 112.154 -168.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.29 -38.02 95.31 Favored Glycine 0 C--N 1.339 0.701 0 C-N-CA 119.512 -1.328 . . . . 35.98 112.585 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 54.6 mtt85 -69.64 -36.98 76.59 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 119.704 -0.799 . . . . 48.35 111.349 176.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.59 -46.26 95.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 C-N-CA 120.421 -0.512 . . . . 31.69 109.902 175.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.435 HG21 ' CE2' ' A' ' 165' ' ' PHE . 39.9 t -63.84 -42.77 96.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 O-C-N 121.853 -0.53 . . . . 50.35 110.871 -179.407 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.54 -37.37 80.98 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.351 -0.54 . . . . 31.91 110.917 -179.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 17.6 tp -64.64 -48.51 74.56 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.151 0.501 . . . . 46.55 111.072 178.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -66.1 -37.95 87.03 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.59 -0.444 . . . . 46.48 110.958 -179.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -60.39 -49.38 77.82 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 120.649 -0.421 . . . . 40.06 110.897 174.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -65.73 -40.89 92.64 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 119.205 -0.998 . . . . 37.54 111.174 -175.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.13 90.47 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.853 -0.739 . . . . 34.37 110.97 178.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 70.2 m -64.47 -41.95 96.21 Favored 'General case' 0 C--O 1.238 0.463 0 O-C-N 122.134 -0.354 . . . . 33.31 111.539 179.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -62.52 -38.74 91.13 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.692 -0.403 . . . . 63.95 111.032 177.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 63.3 mt -60.73 -41.77 95.98 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 119.365 -0.934 . . . . 37.86 110.648 176.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.2 t -65.58 -40.54 88.35 Favored 'Isoleucine or valine' 0 C--O 1.242 0.667 0 C-N-CA 120.064 -0.655 . . . . 42.75 110.609 179.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 61.6 mt -64.86 -37.05 86.34 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 120.778 -0.369 . . . . 50.75 111.59 -177.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.439 ' NZ ' ' O ' ' A' ' 83' ' ' VAL . 38.0 mttm -57.28 -42.16 81.11 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 119.424 -0.91 . . . . 50.46 111.392 174.471 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.436 ' HA ' HG22 ' A' ' 127' ' ' THR . . . -65.8 -44.37 85.91 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.509 -0.476 . . . . 51.17 111.503 174.08 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 18.0 mt -57.7 -47.55 82.05 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.563 -0.455 . . . . 69.35 110.901 174.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' CYS . . . . . 0.494 ' O ' ' O ' ' A' ' 301' ' ' HOH . 48.1 m -65.34 -14.05 59.93 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 113.316 0.858 . . . . 48.7 113.316 -179.727 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' THR . . . . . 0.557 HG23 HG23 ' A' ' 129' ' ' VAL . 13.2 t -111.89 8.33 20.36 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 119.068 0.849 . . . . 68.61 112.543 177.096 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt 61.9 48.1 5.54 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.823 0.849 . . . . 72.92 111.934 176.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.557 HG23 HG23 ' A' ' 127' ' ' THR . 45.8 t -125.86 74.38 70.83 Favored Pre-proline 0 C--O 1.242 0.663 0 N-CA-C 108.647 -0.872 . . . . 57.36 108.647 175.989 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -67.45 -12.58 36.24 Favored 'Trans proline' 0 C--O 1.237 0.446 0 N-CA-C 114.954 1.098 . . . . 75.08 114.954 -172.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.671 ' OE2' ' NH2' ' A' ' 134' ' ' ARG . 15.1 tp10 -75.29 -30.26 60.34 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 119.729 1.15 . . . . 112.96 112.158 179.808 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.457 HD13 ' HG2' ' A' ' 88' ' ' PRO . 61.0 mt -62.07 -20.68 64.25 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.642 -0.823 . . . . 77.66 111.877 174.496 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 80.5 mt -62.04 -53.33 49.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 120.922 0.391 . . . . 62.53 110.602 179.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.671 ' NH2' ' OE2' ' A' ' 131' ' ' GLU . 55.5 mtt-85 -65.59 -35.17 80.05 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.234 -0.586 . . . . 77.19 111.056 178.788 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 2.6 m -64.53 -45.65 86.27 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.97 -0.292 . . . . 60.67 110.936 -177.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 91.4 mt -73.43 -41.78 56.68 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-O 120.937 0.399 . . . . 47.47 110.777 -176.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' MET . . . . . 0.45 ' HE3' HD23 ' A' ' 27' ' ' LEU . 4.9 mtp -65.83 -38.97 90.35 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 119.346 -0.942 . . . . 74.43 110.718 178.149 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -58.85 -44.29 96.07 Favored Glycine 0 C--N 1.335 0.522 0 C-N-CA 120.581 -0.819 . . . . 39.38 112.125 175.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.57 90.91 Favored 'General case' 0 C--O 1.242 0.699 0 O-C-N 122.385 -0.479 . . . . 37.04 111.29 -179.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 61.2 m -62.7 -46.06 89.89 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 120.647 0.26 . . . . 32.89 111.421 179.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 54.3 mt -71.33 -34.41 70.52 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 120.454 -0.498 . . . . 45.45 111.718 179.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -60.69 -45.46 94.09 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 119.428 -0.909 . . . . 57.93 110.318 172.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -63.26 -39.93 95.98 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.915 -0.314 . . . . 36.87 111.113 177.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 54.5 tp -54.86 -48.2 73.23 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.921 0.391 . . . . 45.66 110.968 175.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 22.1 ttm105 -65.76 -46.94 76.92 Favored 'General case' 0 C--O 1.237 0.417 0 O-C-N 122.29 -0.256 . . . . 72.48 111.191 -178.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -78.56 -33.99 47.33 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 118.597 -1.241 . . . . 61.41 112.835 -171.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 24.4 tpt85 -105.98 -36.51 6.94 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 114.04 1.126 . . . . 75.65 114.04 -172.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 65.2 mt -111.46 -17.3 13.12 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 113.553 0.946 . . . . 39.12 113.553 -163.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 31.6 tp -60.79 -40.85 94.15 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 118.085 0.402 . . . . 36.84 111.309 -172.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -65.21 -40.67 96.89 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 119.749 -1.215 . . . . 35.07 111.576 -175.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' TRP . . . . . 0.488 ' O ' ' HG2' ' A' ' 155' ' ' GLN . 89.7 t90 -69.15 -41.74 76.87 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 122.337 -0.508 . . . . 35.57 110.827 -179.364 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 90.1 mt -65.08 -38.4 82.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 120.554 -0.459 . . . . 31.99 110.692 -179.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -62.48 -39.84 94.74 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 119.368 -0.933 . . . . 42.48 110.761 174.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -62.24 -30.16 70.9 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.138 0.422 . . . . 77.01 112.138 177.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' ' 151' ' ' TRP . 89.0 mm-40 -79.57 -7.09 58.27 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 113.078 0.77 . . . . 54.0 113.078 178.914 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 90.56 10.56 63.35 Favored Glycine 0 C--O 1.242 0.619 0 CA-C-O 119.147 -0.807 . . . . 42.79 114.529 -175.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' GLY . . . . . . . . . . . . . . . 106.51 -159.54 14.87 Favored Glycine 0 C--O 1.236 0.249 0 CA-C-N 118.253 1.026 . . . . 36.52 111.824 -178.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' TRP . . . . . . . . . . . . . 75.8 m95 -82.75 -15.48 51.63 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.185 0.809 . . . . 39.15 113.185 -170.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -54.58 -33.32 60.1 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 112.919 0.711 . . . . 98.61 112.919 -174.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -65.41 -22.04 69.1 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 119.704 -1.236 . . . . 49.95 114.383 -177.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 26.5 tp -53.03 -39.35 63.12 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 117.715 0.757 . . . . 52.01 111.059 171.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 86.7 mt -67.42 -40.76 85.53 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 119.985 -0.686 . . . . 67.83 111.658 -177.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.95 -38.18 84.98 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.361 -0.536 . . . . 82.29 110.813 175.876 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -61.79 -39.71 92.68 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.832 -0.347 . . . . 65.21 111.324 -173.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.435 ' CE2' HG21 ' A' ' 111' ' ' VAL . 74.8 m-85 -105.43 8.67 33.65 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 112.782 0.66 . . . . 78.27 112.782 -174.894 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . -93.34 65.28 1.87 Allowed Glycine 0 N--CA 1.448 -0.5 0 N-CA-C 114.516 0.566 . . . . 85.41 114.516 178.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 50.5 p -139.32 154.17 71.64 Favored Pre-proline 0 C--O 1.238 0.479 0 N-CA-C 108.376 -0.972 . . . . 83.53 108.376 173.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.41 -31.08 94.21 Favored 'Trans proline' 0 C--O 1.238 0.481 0 N-CA-C 113.459 0.523 . . . . 93.37 113.459 178.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 77.6 p -95.8 38.47 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 118.236 0.471 . . . . 77.75 111.747 178.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -55.59 -24.26 31.92 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 121.889 -0.507 . . . . 74.43 111.952 173.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' GLN . . . . . 0.465 ' HB2' ' O ' ' A' ' 342' ' ' HOH . 27.9 mt-30 -68.46 -28.4 67.01 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 119.457 -0.897 . . . . 77.09 112.108 177.987 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' THR . . . . . . . . . . . . . 22.1 p -75.45 -36.59 60.69 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 119.303 -0.959 . . . . 77.0 111.447 175.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 83.9 t -54.39 -40.12 47.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 121.234 0.54 . . . . 48.32 110.712 168.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' THR . . . . . . . . . . . . . 24.5 m -73.02 -20.11 61.07 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 112.924 0.713 . . . . 50.24 112.924 -175.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' ILE . . . . . . . . . . . . . 29.4 mt -60.19 -41.84 88.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 CA-C-N 118.953 0.797 . . . . 55.1 110.404 171.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -72.37 -35.98 68.63 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 121.801 -0.562 . . . . 43.04 111.637 178.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' VAL . . . . . . . . . . . . . 91.6 t -58.17 -52.99 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 120.313 -0.555 . . . . 36.06 110.319 173.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -59.34 -37.56 78.13 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 118.624 -1.23 . . . . 35.64 110.776 175.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -63.99 -42.44 98.25 Favored Glycine 0 C--N 1.336 0.582 0 C-N-CA 120.428 -0.891 . . . . 37.08 113.59 -175.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' VAL . . . . . . . . . . . . . 33.1 m -68.78 -34.84 66.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 C-N-CA 119.507 -0.877 . . . . 39.72 110.09 -178.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 15.7 tp -72.15 -42.75 65.61 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.935 -0.706 . . . . 34.13 110.802 179.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 71.6 m -58.02 -39.29 77.96 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.218 -0.593 . . . . 44.01 111.457 174.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -65.4 -40.57 93.6 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 119.703 -0.799 . . . . 41.73 111.222 -179.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 184' ' ' SER . . . . . . . . . . . . . 74.6 m -73.65 -32.04 63.8 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 119.449 -0.9 . . . . 50.31 111.684 -177.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 70.8 mt -67.59 -37.11 82.11 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.491 -0.483 . . . . 47.98 111.003 174.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 87.7 m -62.58 -39.05 92.47 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.546 -0.462 . . . . 56.91 110.714 175.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 27.8 mm -59.48 -52.75 57.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.098 0.475 . . . . 88.45 110.373 173.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 188' ' ' TRP . . . . . 0.684 ' HD1' ' HD2' ' A' ' 94' ' ' ARG . 22.1 t90 -60.04 -36.58 77.59 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.451 -0.5 . . . . 78.98 111.462 -178.401 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . . . -68.07 -17.27 64.34 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 112.49 0.552 . . . . 89.61 112.49 178.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 190' ' ' LYS . . . . . . . . . . . . . . . -110.29 37.92 2.58 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 123.687 0.795 . . . . 106.26 111.445 175.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 191' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.21 0 O-C-N 121.911 -0.493 . . . . 104.53 111.044 -176.476 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' FMT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.494 ' O ' ' O ' ' A' ' 126' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . 0.629 ' O ' ' NH1' ' A' ' 134' ' ' 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 0 . 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 0 . 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 ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 342' ' ' HOH . . . . . 0.465 ' O ' ' HB2' ' A' ' 171' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 355' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 357' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_