data_1r5q_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1r5q _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.213 0.53 . . . . 70.16 112.162 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.3 m -53.52 -63.45 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 117.834 2.531 . . . . 65.66 117.834 -179.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -164.72 -154.2 0.22 Allowed 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 119.188 3.033 . . . . 59.13 119.188 -177.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -58.83 -33.32 70.27 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.671 1.36 . . . . 57.52 114.671 -178.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -57.43 -26.79 61.7 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.573 0.953 . . . . 56.02 113.573 -179.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.5 mt -57.97 -48.97 82.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 119.912 -0.715 . . . . 46.7 109.711 179.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 46.9 tp -74.92 -42.95 56.74 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.614 0.598 . . . . 40.39 112.614 -179.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.0 mt -59.5 -29.98 68.24 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 112.753 0.649 . . . . 40.65 112.753 -179.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -77.78 -36.62 50.26 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 109.765 -0.457 . . . . 50.54 109.765 178.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -64.94 -43.32 93.15 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 108.231 -1.025 . . . . 53.32 108.231 177.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.39 -41.72 98.87 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 120.963 -0.295 . . . . 36.59 110.968 179.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . 0.471 ' NZ ' ' OE1' ' A' ' 59' ' ' GLU . 73.5 tttt -61.02 -44.19 97.77 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 108.449 -0.945 . . . . 47.18 108.449 178.008 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 t -59.26 -44.82 92.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 44.07 110.053 179.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -63.16 -41.11 99.19 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 112.377 0.51 . . . . 41.82 112.377 -179.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -67.52 -36.13 80.44 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.658 -0.701 . . . . 35.56 109.262 -178.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.8 ttm105 -58.55 -48.33 81.24 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 107.97 -1.122 . . . . 48.77 107.97 178.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -62.14 -31.29 71.75 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 112.313 0.486 . . . . 49.94 112.313 179.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.7 mt -69.92 -46.09 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 108.007 -1.108 . . . . 36.8 108.007 178.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.7 mt -58.78 -49.39 77.85 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 119.521 -0.872 . . . . 33.16 111.034 179.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.1 mt -66.2 -16.38 63.94 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 114.963 1.468 . . . . 38.36 114.963 -178.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.9 p -115.12 1.88 14.0 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 118.111 -1.436 . . . . 45.31 110.548 178.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -59.04 -37.62 77.4 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 117.267 2.321 . . . . 35.63 117.267 -176.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -99.89 22.74 10.7 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 119.472 -0.891 . . . . 43.54 112.654 -179.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' THR . . . . . 0.567 ' CG2' ' N ' ' A' ' 28' ' ' THR . 52.7 m -111.5 -165.72 1.01 Allowed 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 105.344 -2.095 . . . . 54.74 105.344 177.242 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' THR . . . . . 0.567 ' N ' ' CG2' ' A' ' 27' ' ' THR . 36.8 p -120.78 121.1 37.46 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 106.342 -1.725 . . . . 64.49 106.342 178.531 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASP . . . . . 0.531 ' C ' ' O ' ' A' ' 28' ' ' THR . 24.1 t0 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 117.764 -1.112 . . . . 68.94 113.249 -178.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . 0.636 ' N ' ' O ' ' A' ' 127' ' ' HOH . 66.0 tp . . . . . 0 N--CA 1.494 1.746 0 N-CA-C 113.716 1.006 . . . . 46.43 113.716 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.6 tttm -58.05 -43.74 87.03 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.371 0.508 . . . . 58.46 112.371 -178.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -69.67 -34.61 74.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.574 0.583 . . . . 64.46 112.574 -179.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -64.86 -41.86 95.34 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.847 -0.797 . . . . 55.11 108.847 179.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.3 mt -69.95 -43.1 79.7 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 CA-C-N 115.963 -0.562 . . . . 41.83 110.845 -179.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -61.8 -39.57 92.19 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.503 -0.479 . . . . 51.97 110.731 -179.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -69.81 -40.32 76.0 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.631 0.604 . . . . 57.96 112.631 179.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -63.4 -44.49 94.53 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 108.241 -1.022 . . . . 37.4 108.241 178.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.1 mm -61.12 -46.06 97.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-O 121.064 0.459 . . . . 33.57 111.671 -179.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -62.36 -34.59 76.98 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.543 -0.463 . . . . 45.17 111.486 -179.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.34 -44.6 64.76 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.106 0.78 . . . . 34.26 113.106 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.4 m -70.27 -30.42 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 N-CA-C 108.82 -0.807 . . . . 32.39 108.82 -179.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -66.73 -53.83 29.29 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.665 -1.235 . . . . 35.58 107.665 178.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 97.8 m -63.75 -31.91 73.24 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 115.327 1.603 . . . . 38.55 115.327 179.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.78 2.76 54.5 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 115.415 1.635 . . . . 32.54 115.415 179.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 58.35 32.72 22.41 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.09 0.556 . . . . 33.54 112.487 178.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.6 mt -70.15 129.03 91.06 Favored Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 109.675 -0.491 . . . . 35.53 109.675 -179.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -66.77 147.24 80.78 Favored 'Trans proline' 0 CA--C 1.535 0.548 0 C-N-CA 123.793 2.995 . . . . 34.96 110.498 -179.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.7 t -57.92 -39.48 76.52 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 112.845 0.683 . . . . 34.56 112.845 179.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -55.49 -28.91 66.69 Favored 'Trans proline' 0 N--CA 1.477 0.512 0 C-N-CA 117.617 -1.122 . . . . 35.09 113.962 -179.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -71.97 -36.55 69.85 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 110.023 -0.362 . . . . 52.92 110.023 179.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 98.3 mt -68.57 -38.09 78.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 108.122 -1.066 . . . . 36.59 108.122 179.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.0 mt -66.99 -34.14 68.02 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 C-N-CA 120.02 -0.672 . . . . 35.02 109.5 -179.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -68.97 -40.12 79.03 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.395 -0.366 . . . . 52.56 110.298 -179.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.5 mt -60.57 -45.55 97.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 N-CA-C 108.15 -1.056 . . . . 34.64 108.15 177.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -52.73 -56.97 11.76 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 120.984 0.421 . . . . 35.32 110.566 178.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 75.2 mmm -58.74 -39.51 81.12 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.452 0.908 . . . . 49.83 113.452 -179.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLU . . . . . 0.471 ' OE1' ' NZ ' ' A' ' 15' ' ' LYS . 92.5 mt-10 -63.59 -42.43 98.26 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 119.987 -0.685 . . . . 50.15 111.016 179.97 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.1 mt -68.55 -34.23 75.48 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.424 -0.353 . . . . 39.03 110.269 179.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.3 mm -64.32 -39.74 86.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 N-CA-C 107.526 -1.287 . . . . 42.69 107.526 178.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -63.82 -44.92 91.8 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.561 -0.456 . . . . 49.44 111.045 179.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -58.83 -49.03 79.23 Favored 'General case' 0 C--O 1.231 0.125 0 O-C-N 123.906 0.753 . . . . 50.69 109.561 178.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -57.46 -46.7 83.36 Favored 'General case' 0 C--O 1.248 1.019 0 N-CA-C 113.097 0.777 . . . . 41.65 113.097 179.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.4 p -60.98 -32.49 72.05 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 123.413 0.445 . . . . 48.62 110.179 -178.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -73.2 -49.98 24.99 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 109.446 -0.576 . . . . 60.12 109.446 178.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -58.3 -32.23 68.26 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.691 0.626 . . . . 59.35 112.691 179.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.16 0.09 57.02 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.051 0.76 . . . . 50.96 113.051 -179.682 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 55.51 45.86 24.21 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 121.104 -0.238 . . . . 68.58 111.481 -179.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 68.0 mt . . . . . 0 C--O 1.255 1.374 0 CA-C-O 117.804 -1.093 . . . . 55.81 112.725 -179.603 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.569 0 CA-C-O 120.208 -0.218 . . . . 70.15 113.098 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 117.391 -1.29 . . . . 70.13 109.191 -179.129 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 N--CA 1.486 1.369 0 N-CA-C 111.592 0.219 . . . . 45.77 111.592 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 74.9 mtm -63.15 -20.84 65.76 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 114.871 1.434 . . . . 54.13 114.871 -178.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -65.35 -25.88 67.78 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 119.667 -0.813 . . . . 42.41 110.452 178.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -68.69 -5.11 18.44 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 119.797 -0.761 . . . . 35.17 111.552 178.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -66.95 -21.59 65.97 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 108.549 -0.908 . . . . 43.28 108.549 176.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.1 -42.43 89.29 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 108.227 -1.027 . . . . 34.09 108.227 178.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 82.1 m -60.02 -46.38 89.69 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 114.595 -1.184 . . . . 31.23 109.755 178.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.3 tp -64.17 -41.1 97.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.307 0.575 . . . . 27.81 110.81 -178.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 53.6 mt -58.93 -46.25 91.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.03 -0.668 . . . . 27.4 110.099 177.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -60.54 -41.18 93.95 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.512 -0.767 . . . . 35.26 111.086 -178.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 15.7 mm -67.93 -48.66 74.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-N 115.866 -0.606 . . . . 32.1 110.37 -179.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.49 -36.23 83.5 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.927 0.714 . . . . 30.69 112.927 179.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.78 -43.05 94.51 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 108.718 -0.845 . . . . 28.44 108.718 178.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -66.44 -39.0 88.63 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.873 0.368 . . . . 40.17 110.841 179.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 27.1 tp -66.25 -42.82 88.02 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 119.381 -0.927 . . . . 27.99 109.619 179.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 58.8 m -59.64 -41.03 89.56 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.18 0.514 . . . . 29.71 111.707 179.108 -74.354 0.0 0.0 0.0 0.0 0.0 0.0 -74.354 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -68.12 -33.24 74.13 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.724 -0.671 . . . . 38.91 112.21 -178.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.78 77.88 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 106.964 -1.495 . . . . 32.54 106.964 178.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -65.24 -43.92 89.81 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.425 -0.807 . . . . 39.48 112.614 179.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.7 ttp85 -64.45 -39.54 94.02 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 121.137 -0.225 . . . . 39.54 111.462 -179.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.05 -11.87 64.35 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 120.496 -0.859 . . . . 40.41 112.686 179.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.61 -33.71 10.19 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 115.375 1.621 . . . . 44.13 115.375 -178.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -45.22 -44.64 3.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 116.314 1.968 . . . . 51.27 116.314 -178.239 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 . . . . . 0 C--O 1.255 1.394 0 C-N-CA 119.782 -0.767 . . . . 58.02 111.903 -179.759 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . 0.636 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.213 0.53 . . . . 70.16 112.162 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' VAL . . . . . 0.444 HG23 ' H ' ' A' ' 6' ' ' ASP . 6.3 m -53.52 -63.45 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 117.834 2.531 . . . . 65.66 117.834 -179.314 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ASP . . . . . 0.444 ' H ' HG23 ' A' ' 5' ' ' VAL . 57.8 p30 -164.72 -154.2 0.22 Allowed 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 119.188 3.033 . . . . 59.13 119.188 -177.19 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -58.83 -33.32 70.27 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.671 1.36 . . . . 57.52 114.671 -178.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -57.43 -26.79 61.7 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.573 0.953 . . . . 56.02 113.573 -179.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.5 mt -57.97 -48.97 82.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 119.912 -0.715 . . . . 46.7 109.711 179.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 46.9 tp -74.92 -42.95 56.74 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.614 0.598 . . . . 40.39 112.614 -179.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.0 mt -59.5 -29.98 68.24 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 112.753 0.649 . . . . 40.65 112.753 -179.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -77.78 -36.62 50.26 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 109.765 -0.457 . . . . 50.54 109.765 178.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -64.94 -43.32 93.15 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 108.231 -1.025 . . . . 53.32 108.231 177.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.39 -41.72 98.87 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 120.963 -0.295 . . . . 36.59 110.968 179.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -61.02 -44.19 97.77 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 108.449 -0.945 . . . . 47.18 108.449 178.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 t -59.26 -44.82 92.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 44.07 110.053 179.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -63.16 -41.11 99.19 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 112.377 0.51 . . . . 41.82 112.377 -179.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' TYR . . . . . 0.494 ' HE1' HG13 ' A' ' 88' ' ' ILE . 42.5 t80 -67.52 -36.13 80.44 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.658 -0.701 . . . . 35.56 109.262 -178.868 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.8 ttm105 -58.55 -48.33 81.24 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 107.97 -1.122 . . . . 48.77 107.97 178.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -62.14 -31.29 71.75 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 112.313 0.486 . . . . 49.94 112.313 179.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.7 mt -69.92 -46.09 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 108.007 -1.108 . . . . 36.8 108.007 178.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . 0.452 HD23 HG21 ' A' ' 84' ' ' THR . 78.7 mt -58.78 -49.39 77.85 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 119.521 -0.872 . . . . 33.16 111.034 179.072 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.1 mt -66.2 -16.38 63.94 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 114.963 1.468 . . . . 38.36 114.963 -178.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.9 p -115.12 1.88 14.0 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 118.111 -1.436 . . . . 45.31 110.548 178.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -59.04 -37.62 77.4 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 117.267 2.321 . . . . 35.63 117.267 -176.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -99.89 22.74 10.7 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 119.472 -0.891 . . . . 43.54 112.654 -179.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' THR . . . . . 1.036 HG22 ' H ' ' A' ' 28' ' ' THR . 52.7 m -111.5 -165.72 1.01 Allowed 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 105.344 -2.095 . . . . 54.74 105.344 177.242 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' THR . . . . . 1.036 ' H ' HG22 ' A' ' 27' ' ' THR . 36.8 p -120.78 121.1 37.46 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 106.342 -1.725 . . . . 64.49 106.342 178.531 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASP . . . . . 0.531 ' C ' ' O ' ' A' ' 28' ' ' THR . 24.1 t0 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 117.764 -1.112 . . . . 68.94 113.249 -178.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . 0.636 ' N ' ' O ' ' A' ' 127' ' ' HOH . 66.0 tp . . . . . 0 N--CA 1.494 1.746 0 N-CA-C 113.716 1.006 . . . . 46.43 113.716 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.6 tttm -58.05 -43.74 87.03 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.371 0.508 . . . . 58.46 112.371 -178.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -69.67 -34.61 74.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.574 0.583 . . . . 64.46 112.574 -179.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -64.86 -41.86 95.34 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.847 -0.797 . . . . 55.11 108.847 179.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ILE . . . . . 0.493 ' O ' HG12 ' A' ' 40' ' ' ILE . 62.3 mt -69.95 -43.1 79.7 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 CA-C-N 115.963 -0.562 . . . . 41.83 110.845 -179.304 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -61.8 -39.57 92.19 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.503 -0.479 . . . . 51.97 110.731 -179.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -69.81 -40.32 76.0 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.631 0.604 . . . . 57.96 112.631 179.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -63.4 -44.49 94.53 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 108.241 -1.022 . . . . 37.4 108.241 178.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 36' ' ' ILE . 26.1 mm -61.12 -46.06 97.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-O 121.064 0.459 . . . . 33.57 111.671 -179.459 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -62.36 -34.59 76.98 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.543 -0.463 . . . . 45.17 111.486 -179.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.34 -44.6 64.76 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.106 0.78 . . . . 34.26 113.106 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' VAL . . . . . 0.593 ' HA ' HD12 ' A' ' 48' ' ' ILE . 34.4 m -70.27 -30.42 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 N-CA-C 108.82 -0.807 . . . . 32.39 108.82 -179.699 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -66.73 -53.83 29.29 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.665 -1.235 . . . . 35.58 107.665 178.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 97.8 m -63.75 -31.91 73.24 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 115.327 1.603 . . . . 38.55 115.327 179.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.78 2.76 54.5 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 115.415 1.635 . . . . 32.54 115.415 179.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 58.0 t30 58.35 32.72 22.41 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.09 0.556 . . . . 33.54 112.487 178.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' A' ' 43' ' ' VAL . 20.6 mt -70.15 129.03 91.06 Favored Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 109.675 -0.491 . . . . 35.53 109.675 -179.322 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 48' ' ' ILE . 35.4 Cg_exo -66.77 147.24 80.78 Favored 'Trans proline' 0 CA--C 1.535 0.548 0 C-N-CA 123.793 2.995 . . . . 34.96 110.498 -179.94 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.7 t -57.92 -39.48 76.52 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 112.845 0.683 . . . . 34.56 112.845 179.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -55.49 -28.91 66.69 Favored 'Trans proline' 0 N--CA 1.477 0.512 0 C-N-CA 117.617 -1.122 . . . . 35.09 113.962 -179.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -71.97 -36.55 69.85 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 110.023 -0.362 . . . . 52.92 110.023 179.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 98.3 mt -68.57 -38.09 78.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 108.122 -1.066 . . . . 36.59 108.122 179.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.0 mt -66.99 -34.14 68.02 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 C-N-CA 120.02 -0.672 . . . . 35.02 109.5 -179.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 24.2 tt0 -68.97 -40.12 79.03 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.395 -0.366 . . . . 52.56 110.298 -179.715 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.5 mt -60.57 -45.55 97.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 N-CA-C 108.15 -1.056 . . . . 34.64 108.15 177.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -52.73 -56.97 11.76 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 120.984 0.421 . . . . 35.32 110.566 178.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' MET . . . . . 0.437 ' HE3' ' O ' ' A' ' 136' ' ' HOH . 75.2 mmm -58.74 -39.51 81.12 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.452 0.908 . . . . 49.83 113.452 -179.555 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 55' ' ' GLU . 92.5 mt-10 -63.59 -42.43 98.26 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 119.987 -0.685 . . . . 50.15 111.016 179.97 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.1 mt -68.55 -34.23 75.48 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.424 -0.353 . . . . 39.03 110.269 179.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ILE . . . . . 0.567 HG23 HD12 ' A' ' 78' ' ' LEU . 19.3 mm -64.32 -39.74 86.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 N-CA-C 107.526 -1.287 . . . . 42.69 107.526 178.82 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASP . . . . . 0.606 ' O ' ' HD3' ' A' ' 66' ' ' LYS . 74.0 m-20 -63.82 -44.92 91.8 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.561 -0.456 . . . . 49.44 111.045 179.418 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -58.83 -49.03 79.23 Favored 'General case' 0 C--O 1.231 0.125 0 O-C-N 123.906 0.753 . . . . 50.69 109.561 178.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -57.46 -46.7 83.36 Favored 'General case' 0 C--O 1.248 1.019 0 N-CA-C 113.097 0.777 . . . . 41.65 113.097 179.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.4 p -60.98 -32.49 72.05 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 123.413 0.445 . . . . 48.62 110.179 -178.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LYS . . . . . 0.606 ' HD3' ' O ' ' A' ' 62' ' ' ASP . 1.2 mptm? -73.2 -49.98 24.99 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 109.446 -0.576 . . . . 60.12 109.446 178.324 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -58.3 -32.23 68.26 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.691 0.626 . . . . 59.35 112.691 179.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.16 0.09 57.02 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.051 0.76 . . . . 50.96 113.051 -179.682 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 55.51 45.86 24.21 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 121.104 -0.238 . . . . 68.58 111.481 -179.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 68.0 mt . . . . . 0 C--O 1.255 1.374 0 CA-C-O 117.804 -1.093 . . . . 55.81 112.725 -179.603 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 75' ' ' ASP . . . . . . . . 0 N--CA 1.495 2.569 0 CA-C-O 120.208 -0.218 . . . . 70.15 113.098 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ASP . . . . . 0.591 ' HB3' ' HG2' ' A' ' 79' ' ' MET . 1.4 m-20 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 117.391 -1.29 . . . . 70.13 109.191 -179.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LEU . . . . . 0.567 HD12 HG23 ' A' ' 61' ' ' ILE . 80.7 mt . . . . . 0 N--CA 1.486 1.369 0 N-CA-C 111.592 0.219 . . . . 45.77 111.592 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' MET . . . . . 0.591 ' HG2' ' HB3' ' A' ' 75' ' ' ASP . 74.9 mtm -63.15 -20.84 65.76 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 114.871 1.434 . . . . 54.13 114.871 -178.464 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -65.35 -25.88 67.78 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 119.667 -0.813 . . . . 42.41 110.452 178.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -68.69 -5.11 18.44 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 119.797 -0.761 . . . . 35.17 111.552 178.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -66.95 -21.59 65.97 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 108.549 -0.908 . . . . 43.28 108.549 176.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.1 -42.43 89.29 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 108.227 -1.027 . . . . 34.09 108.227 178.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' THR . . . . . 0.452 HG21 HD23 ' A' ' 22' ' ' LEU . 82.1 m -60.02 -46.38 89.69 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 114.595 -1.184 . . . . 31.23 109.755 178.378 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.3 tp -64.17 -41.1 97.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.307 0.575 . . . . 27.81 110.81 -178.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 53.6 mt -58.93 -46.25 91.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.03 -0.668 . . . . 27.4 110.099 177.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -60.54 -41.18 93.95 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.512 -0.767 . . . . 35.26 111.086 -178.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ILE . . . . . 0.494 HG13 ' HE1' ' A' ' 18' ' ' TYR . 15.7 mm -67.93 -48.66 74.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-N 115.866 -0.606 . . . . 32.1 110.37 -179.508 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.49 -36.23 83.5 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.927 0.714 . . . . 30.69 112.927 179.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.78 -43.05 94.51 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 108.718 -0.845 . . . . 28.44 108.718 178.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -66.44 -39.0 88.63 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.873 0.368 . . . . 40.17 110.841 179.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 27.1 tp -66.25 -42.82 88.02 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 119.381 -0.927 . . . . 27.99 109.619 179.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 58.8 m -59.64 -41.03 89.56 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.18 0.514 . . . . 29.71 111.707 179.108 -74.354 0.0 0.0 0.0 0.0 0.0 0.0 -74.354 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -68.12 -33.24 74.13 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.724 -0.671 . . . . 38.91 112.21 -178.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.78 77.88 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 106.964 -1.495 . . . . 32.54 106.964 178.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -65.24 -43.92 89.81 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.425 -0.807 . . . . 39.48 112.614 179.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.7 ttp85 -64.45 -39.54 94.02 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 121.137 -0.225 . . . . 39.54 111.462 -179.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.05 -11.87 64.35 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 120.496 -0.859 . . . . 40.41 112.686 179.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.61 -33.71 10.19 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 115.375 1.621 . . . . 44.13 115.375 -178.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ILE . . . . . 0.449 HG22 ' CD1' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -45.22 -44.64 3.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 116.314 1.968 . . . . 51.27 116.314 -178.239 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 101' ' ' PHE . . . . . 0.449 ' CD1' HG22 ' A' ' 100' ' ' ILE . 74.9 m-85 . . . . . 0 C--O 1.255 1.394 0 C-N-CA 119.782 -0.767 . . . . 58.02 111.903 -179.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . 0.636 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . 0.437 ' O ' ' HE3' ' A' ' 58' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.213 0.53 . . . . 70.159999999999997 112.162 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.444 HG23 ' H ' ' A' ' 6' ' ' ASP . 6.3 m -53.52 -63.45 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 117.834 2.531 . . . . 65.659999999999997 117.834 -179.314 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.444 ' H ' HG23 ' A' ' 5' ' ' VAL . 57.8 p30 -164.72 -154.2 0.22 Allowed 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 119.188 3.033 . . . . 59.130000000000003 119.188 -177.19 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -58.83 -33.32 70.27 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.671 1.36 . . . . 57.520000000000003 114.671 -178.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -57.43 -26.79 61.7 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.573 0.953 . . . . 56.020000000000003 113.573 -179.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.5 mt -57.97 -48.97 82.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 119.912 -0.715 . . . . 46.700000000000003 109.711 179.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 46.9 tp -74.92 -42.95 56.74 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.614 0.598 . . . . 40.390000000000001 112.614 -179.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 45.0 mt -59.5 -29.98 68.24 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 112.753 0.649 . . . . 40.649999999999999 112.753 -179.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -77.78 -36.62 50.26 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 109.765 -0.457 . . . . 50.539999999999999 109.765 178.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -64.94 -43.32 93.15 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 108.231 -1.025 . . . . 53.32 108.231 177.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.39 -41.72 98.87 Favored 'General case' 0 C--O 1.225 -0.203 0 C-N-CA 120.963 -0.295 . . . . 36.590000000000003 110.968 179.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -61.02 -44.19 97.77 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 108.449 -0.945 . . . . 47.18 108.449 178.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 t -59.26 -44.82 92.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 44.07 110.053 179.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -63.16 -41.11 99.19 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 112.377 0.51 . . . . 41.82 112.377 -179.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.494 ' HE1' HG13 ' A' ' 88' ' ' ILE . 42.5 t80 -67.52 -36.13 80.44 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.658 -0.701 . . . . 35.560000000000002 109.262 -178.868 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.8 ttm105 -58.55 -48.33 81.24 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 107.97 -1.122 . . . . 48.770000000000003 107.97 178.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -62.14 -31.29 71.75 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 112.313 0.486 . . . . 49.939999999999998 112.313 179.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.7 mt -69.92 -46.09 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 N-CA-C 108.007 -1.108 . . . . 36.799999999999997 108.007 178.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.452 HD23 HG21 ' A' ' 84' ' ' THR . 78.7 mt -58.78 -49.39 77.85 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 119.521 -0.872 . . . . 33.159999999999997 111.034 179.072 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.1 mt -66.2 -16.38 63.94 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 114.963 1.468 . . . . 38.359999999999999 114.963 -178.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.9 p -115.12 1.88 14.0 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 118.111 -1.436 . . . . 45.310000000000002 110.548 178.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -59.04 -37.62 77.4 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 117.267 2.321 . . . . 35.630000000000003 117.267 -176.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -99.89 22.74 10.7 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 119.472 -0.891 . . . . 43.539999999999999 112.654 -179.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' THR . . . . . 1.036 HG22 ' H ' ' A' ' 28' ' ' THR . 52.7 m -111.5 -165.72 1.01 Allowed 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 105.344 -2.095 . . . . 54.740000000000002 105.344 177.242 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' THR . . . . . 1.036 ' H ' HG22 ' A' ' 27' ' ' THR . 36.8 p -120.78 121.1 37.46 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 106.342 -1.725 . . . . 64.489999999999995 106.342 178.531 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.531 ' C ' ' O ' ' A' ' 28' ' ' THR . 24.1 t0 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 117.764 -1.112 . . . . 68.939999999999998 113.249 -178.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.636 ' N ' ' O ' ' A' ' 127' ' ' HOH . 66.0 tp . . . . . 0 N--CA 1.494 1.746 0 N-CA-C 113.716 1.006 . . . . 46.43 113.716 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.6 tttm -58.05 -43.74 87.03 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.371 0.508 . . . . 58.460000000000001 112.371 -178.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -69.67 -34.61 74.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.574 0.583 . . . . 64.459999999999994 112.574 -179.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -64.86 -41.86 95.34 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.847 -0.797 . . . . 55.109999999999999 108.847 179.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.493 ' O ' HG12 ' A' ' 40' ' ' ILE . 62.3 mt -69.95 -43.1 79.7 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 CA-C-N 115.963 -0.562 . . . . 41.829999999999998 110.845 -179.304 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -61.8 -39.57 92.19 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.503 -0.479 . . . . 51.969999999999999 110.731 -179.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -69.81 -40.32 76.0 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.631 0.604 . . . . 57.960000000000001 112.631 179.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -63.4 -44.49 94.53 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 108.241 -1.022 . . . . 37.399999999999999 108.241 178.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 36' ' ' ILE . 26.1 mm -61.12 -46.06 97.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-O 121.064 0.459 . . . . 33.57 111.671 -179.459 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -62.36 -34.59 76.98 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.543 -0.463 . . . . 45.170000000000002 111.486 -179.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.34 -44.6 64.76 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.106 0.78 . . . . 34.259999999999998 113.106 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.593 ' HA ' HD12 ' A' ' 48' ' ' ILE . 34.4 m -70.27 -30.42 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 N-CA-C 108.82 -0.807 . . . . 32.390000000000001 108.82 -179.699 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -66.73 -53.83 29.29 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.665 -1.235 . . . . 35.579999999999998 107.665 178.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 97.8 m -63.75 -31.91 73.24 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 115.327 1.603 . . . . 38.549999999999997 115.327 179.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.78 2.76 54.5 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 115.415 1.635 . . . . 32.539999999999999 115.415 179.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 58.35 32.72 22.41 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.09 0.556 . . . . 33.539999999999999 112.487 178.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' A' ' 43' ' ' VAL . 20.6 mt -70.15 129.03 91.06 Favored Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 109.675 -0.491 . . . . 35.530000000000001 109.675 -179.322 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 48' ' ' ILE . 35.4 Cg_exo -66.77 147.24 80.78 Favored 'Trans proline' 0 CA--C 1.535 0.548 0 C-N-CA 123.793 2.995 . . . . 34.960000000000001 110.498 -179.94 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.7 t -57.92 -39.48 76.52 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 112.845 0.683 . . . . 34.560000000000002 112.845 179.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -55.49 -28.91 66.69 Favored 'Trans proline' 0 N--CA 1.477 0.512 0 C-N-CA 117.617 -1.122 . . . . 35.090000000000003 113.962 -179.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -71.97 -36.55 69.85 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 110.023 -0.362 . . . . 52.920000000000002 110.023 179.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 98.3 mt -68.57 -38.09 78.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 108.122 -1.066 . . . . 36.590000000000003 108.122 179.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 35.0 mt -66.99 -34.14 68.02 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 C-N-CA 120.02 -0.672 . . . . 35.020000000000003 109.5 -179.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 24.2 tt0 -68.97 -40.12 79.03 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.395 -0.366 . . . . 52.560000000000002 110.298 -179.715 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.5 mt -60.57 -45.55 97.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 N-CA-C 108.15 -1.056 . . . . 34.640000000000001 108.15 177.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -52.73 -56.97 11.76 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-O 120.984 0.421 . . . . 35.32 110.566 178.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' MET . . . . . 0.437 ' HE3' ' O ' ' A' ' 136' ' ' HOH . 75.2 mmm -58.74 -39.51 81.12 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.452 0.908 . . . . 49.829999999999998 113.452 -179.555 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 55' ' ' GLU . 92.5 mt-10 -63.59 -42.43 98.26 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 119.987 -0.685 . . . . 50.149999999999999 111.016 179.97 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.1 mt -68.55 -34.23 75.48 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 116.424 -0.353 . . . . 39.030000000000001 110.269 179.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.567 HG23 HD12 ' A' ' 78' ' ' LEU . 19.3 mm -64.32 -39.74 86.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 N-CA-C 107.526 -1.287 . . . . 42.689999999999998 107.526 178.82 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.606 ' O ' ' HD3' ' A' ' 66' ' ' LYS . 74.0 m-20 -63.82 -44.92 91.8 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.561 -0.456 . . . . 49.439999999999998 111.045 179.418 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -58.83 -49.03 79.23 Favored 'General case' 0 C--O 1.231 0.125 0 O-C-N 123.906 0.753 . . . . 50.689999999999998 109.561 178.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -57.46 -46.7 83.36 Favored 'General case' 0 C--O 1.248 1.019 0 N-CA-C 113.097 0.777 . . . . 41.649999999999999 113.097 179.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.4 p -60.98 -32.49 72.05 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 123.413 0.445 . . . . 48.619999999999997 110.179 -178.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.606 ' HD3' ' O ' ' A' ' 62' ' ' ASP . 1.2 mptm? -73.2 -49.98 24.99 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 109.446 -0.576 . . . . 60.119999999999997 109.446 178.324 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -58.3 -32.23 68.26 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.691 0.626 . . . . 59.350000000000001 112.691 179.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.16 0.09 57.02 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.051 0.76 . . . . 50.960000000000001 113.051 -179.682 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 55.51 45.86 24.21 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 121.104 -0.238 . . . . 68.579999999999998 111.481 -179.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 68.0 mt . . . . . 0 C--O 1.255 1.374 0 CA-C-O 117.804 -1.093 . . . . 55.810000000000002 112.725 -179.603 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 75' ' ' ASP . . . . . . . . 0 N--CA 1.495 2.569 0 CA-C-O 120.208 -0.218 . . . . 70.150000000000006 113.098 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.591 ' HB3' ' HG2' ' A' ' 79' ' ' MET . 1.4 m-20 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 117.391 -1.29 . . . . 70.129999999999995 109.191 -179.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.567 HD12 HG23 ' A' ' 61' ' ' ILE . 80.7 mt . . . . . 0 N--CA 1.486 1.369 0 N-CA-C 111.592 0.219 . . . . 45.770000000000003 111.592 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' MET . . . . . 0.591 ' HG2' ' HB3' ' A' ' 75' ' ' ASP . 74.9 mtm -63.15 -20.84 65.76 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 114.871 1.434 . . . . 54.130000000000003 114.871 -178.464 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -65.35 -25.88 67.78 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 119.667 -0.813 . . . . 42.409999999999997 110.452 178.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -68.69 -5.11 18.44 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 119.797 -0.761 . . . . 35.170000000000002 111.552 178.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -66.95 -21.59 65.97 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 108.549 -0.908 . . . . 43.280000000000001 108.549 176.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.1 -42.43 89.29 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 108.227 -1.027 . . . . 34.090000000000003 108.227 178.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' THR . . . . . 0.452 HG21 HD23 ' A' ' 22' ' ' LEU . 82.1 m -60.02 -46.38 89.69 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 114.595 -1.184 . . . . 31.23 109.755 178.378 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.3 tp -64.17 -41.1 97.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.307 0.575 . . . . 27.809999999999999 110.81 -178.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 53.6 mt -58.93 -46.25 91.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.03 -0.668 . . . . 27.399999999999999 110.099 177.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -60.54 -41.18 93.95 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.512 -0.767 . . . . 35.259999999999998 111.086 -178.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.494 HG13 ' HE1' ' A' ' 18' ' ' TYR . 15.7 mm -67.93 -48.66 74.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-N 115.866 -0.606 . . . . 32.100000000000001 110.37 -179.508 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.49 -36.23 83.5 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.927 0.714 . . . . 30.690000000000001 112.927 179.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.78 -43.05 94.51 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 108.718 -0.845 . . . . 28.440000000000001 108.718 178.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 29.4 m80 -66.44 -39.0 88.63 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.873 0.368 . . . . 40.170000000000002 110.841 179.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 27.1 tp -66.25 -42.82 88.02 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 119.381 -0.927 . . . . 27.989999999999998 109.619 179.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 58.8 m -59.64 -41.03 89.56 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.18 0.514 . . . . 29.710000000000001 111.707 179.108 -74.354 0.0 0.0 0.0 0.0 0.0 0.0 -74.354 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -68.12 -33.24 74.13 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.724 -0.671 . . . . 38.909999999999997 112.21 -178.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.78 77.88 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 106.964 -1.495 . . . . 32.539999999999999 106.964 178.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -65.24 -43.92 89.81 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.425 -0.807 . . . . 39.479999999999997 112.614 179.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.7 ttp85 -64.45 -39.54 94.02 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 121.137 -0.225 . . . . 39.539999999999999 111.462 -179.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.05 -11.87 64.35 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 120.496 -0.859 . . . . 40.409999999999997 112.686 179.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.61 -33.71 10.19 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 115.375 1.621 . . . . 44.130000000000003 115.375 -178.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.449 HG22 ' CD1' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -45.22 -44.64 3.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 116.314 1.968 . . . . 51.270000000000003 116.314 -178.239 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.449 ' CD1' HG22 ' A' ' 100' ' ' ILE . 74.9 m-85 . . . . . 0 C--O 1.255 1.394 0 C-N-CA 119.782 -0.767 . . . . 58.020000000000003 111.903 -179.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . 0.636 ' O ' ' N ' ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . 0.437 ' O ' ' HE3' ' A' ' 58' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_