data_6a72_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 6a72 _Structure_validation_residue.Date_analyzed 2019-03-29 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 2' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 204' ' ' HOH . 41.9 t . . . . . 0 N--CA 1.495 1.807 0 CA-C-O 119.528 -0.272 . . . . 74.44 110.591 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.45 156.89 18.95 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.568 0.543 . . . . 42.79 111.713 165.714 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.8 t -119.25 144.54 46.7 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.148 -0.686 . . . . 40.2 109.148 175.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.6 t -138.5 147.05 42.73 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.365 -1.346 . . . . 37.26 107.365 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.0 tp -105.44 125.68 51.26 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.599 -1.259 . . . . 44.53 107.599 172.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 77.5 mt -121.73 123.75 70.03 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 N-CA-C 108.794 -0.817 . . . . 36.7 108.794 -179.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.89 128.99 35.57 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 109.166 -0.679 . . . . 39.5 109.166 172.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 46.7 mt -125.76 125.28 68.14 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.752 0 N-CA-C 106.816 -1.55 . . . . 37.84 106.816 179.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.06 147.09 23.79 Favored 'General case' 0 CA--C 1.514 -0.432 0 O-C-N 123.822 0.701 . . . . 40.66 111.096 -177.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.82 15.63 81.45 Favored Glycine 0 N--CA 1.432 -1.575 0 N-CA-C 117.68 1.832 . . . . 38.83 117.68 175.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 72.2 mtm -76.08 112.78 12.89 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.44 -1.318 . . . . 39.77 107.44 171.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.4 t -134.87 6.15 3.4 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.97 1.1 . . . . 49.76 113.97 -169.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.4 p -145.09 163.15 35.19 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-O 121.515 0.674 . . . . 39.94 110.697 170.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.25 -48.2 76.68 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 114.185 -1.371 . . . . 41.6 109.758 178.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.0 t -50.12 -40.9 47.49 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.201 1.556 . . . . 43.54 115.201 179.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.8 m -69.33 -43.39 73.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.002 -0.545 . . . . 37.8 110.985 177.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -60.43 -42.87 92.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 118.778 -1.169 . . . . 40.69 109.254 178.913 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -65.03 -39.28 93.13 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 113.822 1.045 . . . . 48.49 113.822 177.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.2 m -58.36 -49.54 76.88 Favored 'General case' 0 CA--C 1.504 -0.808 0 O-C-N 123.892 0.745 . . . . 37.2 111.228 172.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 60.5 mt -59.27 -48.89 85.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 O-C-N 124.024 0.828 . . . . 33.77 110.508 178.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -64.54 -42.09 95.93 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.618 -0.433 . . . . 47.82 110.268 -178.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.71 -49.66 76.19 Favored Glycine 0 N--CA 1.464 0.527 0 O-C-N 123.755 0.659 . . . . 42.6 112.421 179.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -49.47 62.32 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 115.625 -0.288 . . . . 68.75 110.38 -178.236 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.3 mm -67.9 -42.96 86.14 Favored 'Isoleucine or valine' 0 C--O 1.245 0.838 0 N-CA-C 111.925 0.343 . . . . 36.41 111.925 -175.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' SER . . . . . 0.68 ' O ' ' O ' ' A' ' 201' ' ' HOH . 50.9 p -60.76 -26.49 67.27 Favored 'General case' 0 C--O 1.209 -1.06 0 N-CA-C 113.323 0.86 . . . . 28.36 113.323 179.695 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -85.17 -8.11 58.75 Favored 'General case' 0 CA--C 1.497 -1.064 0 N-CA-C 114.344 1.238 . . . . 42.64 114.344 -179.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.38 143.28 57.25 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 118.783 -1.167 . . . . 33.04 110.377 175.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -56.96 133.43 54.81 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 108.086 -1.079 . . . . 56.54 108.086 176.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.09 -8.14 80.54 Favored Glycine 0 N--CA 1.434 -1.46 0 N-CA-C 116.486 1.354 . . . . 28.34 116.486 -178.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . 0.633 ' O ' ' O ' ' A' ' 201' ' ' HOH . 89.3 t -97.99 114.02 34.18 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.434 0 CA-C-N 119.023 1.412 . . . . 26.35 109.083 -177.492 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -85.0 -45.15 12.43 Favored 'General case' 0 N--CA 1.428 -1.565 0 CA-C-N 114.513 -1.221 . . . . 42.1 111.552 -176.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -152.19 150.07 29.43 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 120.538 -0.465 . . . . 57.95 110.787 -174.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.5 tt -143.92 133.0 19.55 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 O-C-N 123.565 0.54 . . . . 36.05 110.88 173.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.8 p -127.8 133.03 49.42 Favored 'General case' 0 C--O 1.214 -0.771 0 C-N-CA 120.139 -0.624 . . . . 42.59 109.502 168.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.9 t -104.91 137.31 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.331 0 N-CA-C 107.837 -1.171 . . . . 49.1 107.837 178.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.9 t -107.39 115.75 30.71 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 108.476 -0.935 . . . . 52.04 108.476 166.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.9 tp -65.41 -38.79 91.0 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 116.093 -0.503 . . . . 53.94 111.861 172.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.5 -47.72 77.86 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 113.54 0.941 . . . . 50.86 113.54 179.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -69.69 -29.23 66.61 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.305 0.854 . . . . 79.73 113.305 174.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.86 36.48 74.15 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 112.343 -0.303 . . . . 39.43 112.343 -167.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.2 p -127.31 159.17 35.2 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.389 0.614 . . . . 40.53 111.791 -177.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -124.29 130.01 51.76 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 106.071 -1.826 . . . . 32.91 106.071 166.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.0 m -102.82 126.17 49.85 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 106.593 -1.632 . . . . 34.9 106.593 172.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.8 t -123.28 128.91 75.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.784 -0.45 . . . . 29.87 109.784 -173.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.9 tp -99.49 118.35 35.88 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 107.475 -1.306 . . . . 35.71 107.475 172.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -143.05 161.64 37.63 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 122.248 1.023 . . . . 30.69 112.292 -169.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.2 t-20 -95.28 108.47 39.18 Favored Pre-proline 0 N--CA 1.439 -0.995 0 CA-C-N 114.389 -1.278 . . . . 32.32 109.09 176.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -64.91 -16.18 54.1 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 N-CA-C 116.713 1.774 . . . . 32.3 116.713 179.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.04 -23.91 67.32 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 118.8 0.727 . . . . 33.29 112.099 170.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.0 t -110.26 -40.82 4.33 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.875 0 N-CA-C 113.934 1.087 . . . . 39.8 113.934 -174.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.7 tt -144.69 152.38 15.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.268 -0.641 . . . . 30.8 109.268 -171.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.0 p -118.23 160.84 37.8 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.859 -0.61 . . . . 32.72 109.529 -174.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -57.08 -35.91 99.07 Favored 'Trans proline' 0 N--CA 1.484 0.948 0 N-CA-C 113.887 0.687 . . . . 31.22 113.887 171.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -61.89 -42.24 98.84 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 112.431 0.53 . . . . 53.89 112.431 177.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -70.08 -34.58 73.35 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.518 0.562 . . . . 43.89 112.518 176.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 62.3 mt -62.81 -48.02 80.93 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 120.694 -0.403 . . . . 30.53 110.735 173.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -55.85 -47.22 77.67 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 109.447 -0.575 . . . . 41.44 109.447 175.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.77 -41.64 87.09 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 112.107 0.41 . . . . 30.16 112.107 177.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.24 96.11 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 119.594 -0.842 . . . . 31.15 111.358 178.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.7 mt -61.47 -43.64 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-O 121.426 0.632 . . . . 34.28 109.84 176.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -66.88 -35.18 79.45 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 113.99 1.108 . . . . 47.0 113.99 176.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -61.4 -30.32 70.48 Favored 'General case' 0 C--O 1.207 -1.136 0 CA-C-N 119.857 1.208 . . . . 56.89 113.518 169.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 87.8 mtp -71.94 -14.6 61.96 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 114.333 1.235 . . . . 55.14 114.333 173.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.7 19.04 9.48 Favored Glycine 0 C--O 1.215 -1.033 0 N-CA-C 116.013 1.165 . . . . 40.85 116.013 171.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -116.42 138.6 51.23 Favored 'General case' 0 CA--C 1.503 -0.848 0 N-CA-C 107.172 -1.418 . . . . 39.07 107.172 176.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -66.97 137.6 56.64 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 106.786 -1.561 . . . . 82.96 106.786 171.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -144.32 160.42 41.05 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-O 121.546 0.689 . . . . 36.45 110.914 179.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.3 p -156.65 144.28 19.2 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 114.977 -1.011 . . . . 42.96 109.1 172.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.1 t -75.97 129.18 37.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 106.809 -1.552 . . . . 37.18 106.809 179.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 68.4 t -90.13 -58.03 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 O-C-N 124.123 0.889 . . . . 56.96 109.408 178.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.7 p . . . . . 0 N--CA 1.467 0.406 0 CA-C-N 115.961 -0.563 . . . . 73.74 109.981 -175.268 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 120.647 0.261 . . . . 78.18 111.654 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 5.7 m -89.59 153.92 20.39 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.749 -0.659 . . . . 62.97 112.291 175.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 72.3 m -107.32 159.57 16.27 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 114.848 -1.069 . . . . 43.42 109.261 179.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.83 142.01 46.61 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.62 -1.173 . . . . 37.86 108.044 179.518 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 10.1 t -134.84 145.64 48.5 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 108.525 -0.917 . . . . 42.29 108.525 175.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 45.6 tp -110.49 128.32 55.56 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 107.542 -1.281 . . . . 40.91 107.542 175.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 34.2 mt -124.86 121.65 61.64 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.549 0 N-CA-C 106.802 -1.555 . . . . 38.35 106.802 -176.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.27 135.42 37.54 Favored 'General case' 0 C--O 1.21 -0.993 0 N-CA-C 106.872 -1.529 . . . . 33.23 106.872 171.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 21.3 mt -126.09 119.43 54.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 107.602 -1.259 . . . . 37.24 107.602 179.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.97 135.95 33.18 Favored 'General case' 0 CA--C 1.51 -0.563 0 O-C-N 123.674 0.609 . . . . 37.85 109.536 179.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.35 6.74 59.76 Favored Glycine 0 C--O 1.215 -1.089 0 N-CA-C 118.525 2.17 . . . . 34.79 118.525 167.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' MET . . . . . . . . . . . . . 70.1 mtm -73.46 118.76 16.8 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 107.479 -1.304 . . . . 39.02 107.479 173.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 3.4 p -130.1 8.19 5.14 Favored 'General case' 0 C--O 1.208 -1.108 0 N-CA-C 112.682 0.623 . . . . 38.49 112.682 -173.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 26.8 p -154.79 154.18 32.39 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 121.662 -0.648 . . . . 31.73 110.201 -173.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.48 -35.15 80.01 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.552 -0.749 . . . . 29.06 110.665 -179.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 32.5 t -62.59 -44.7 95.67 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.758 -0.656 . . . . 43.19 112.761 -176.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 65.8 m -62.97 -40.0 96.39 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.179 0.437 . . . . 32.59 112.179 175.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.0 t -55.76 -52.35 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 121.041 0.448 . . . . 36.23 110.609 177.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -59.34 -41.72 89.84 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 114.523 -1.217 . . . . 59.25 111.405 178.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 23.4 m -60.47 -43.87 96.48 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 113.361 0.874 . . . . 38.03 113.361 176.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 54.6 mt -66.2 -48.76 80.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.063 -0.717 . . . . 32.85 109.063 -178.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -58.77 -48.59 80.7 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 116.088 -0.505 . . . . 35.53 111.427 177.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.64 -46.93 88.2 Favored Glycine 0 C--O 1.218 -0.885 0 O-C-N 123.153 0.283 . . . . 36.52 113.572 178.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.32 -44.75 28.49 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 117.952 0.876 . . . . 72.13 111.646 -176.197 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 39.8 mm -67.04 -40.5 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 N-CA-C 110.183 -0.302 . . . . 35.84 110.183 -177.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 92.8 p -57.0 -35.72 69.56 Favored 'General case' 0 C--O 1.206 -1.217 0 C-N-CA 120.08 -0.648 . . . . 30.27 111.773 179.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -69.23 -13.64 62.52 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 116.06 1.874 . . . . 49.12 116.06 -179.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 93.1 mt -66.73 142.19 57.48 Favored 'General case' 0 C--O 1.247 0.935 0 N-CA-C 108.02 -1.104 . . . . 33.67 108.02 -177.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -56.98 132.05 51.66 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.385 -0.825 . . . . 51.76 109.16 179.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.65 -0.17 84.6 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 115.698 1.039 . . . . 28.61 115.698 179.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' B' ' 201' ' ' HOH . 95.0 t -97.95 110.24 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 CA-C-N 118.14 0.97 . . . . 28.65 110.889 -179.072 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -74.09 -54.92 6.8 Favored 'General case' 0 CA--C 1.505 -0.771 0 N-CA-C 108.714 -0.847 . . . . 54.06 108.714 -177.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -152.35 154.63 36.02 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.87 -1.059 . . . . 61.19 110.554 -176.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 8.9 tt -140.98 128.82 22.72 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.622 0 N-CA-C 107.653 -1.24 . . . . 30.91 107.653 173.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 8.3 t -120.2 109.18 15.11 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 106.445 -1.687 . . . . 42.52 106.445 177.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 79.3 t -91.0 128.73 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 107.931 -1.137 . . . . 37.02 107.931 177.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 27.6 t -100.51 104.1 15.46 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.753 -0.832 . . . . 34.85 108.753 169.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 51.0 tp -58.0 -42.46 85.25 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.984 -0.553 . . . . 39.15 109.982 170.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.89 82.6 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.726 1.009 . . . . 43.24 113.726 179.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -93.35 -6.03 48.2 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 113.531 0.937 . . . . 67.73 113.531 -176.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.03 35.66 92.12 Favored Glycine 0 C--O 1.239 0.424 0 N-CA-C 114.021 0.368 . . . . 35.73 114.021 -177.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 70.4 p -135.01 162.53 32.18 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.36 0.6 . . . . 42.0 112.542 -176.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.78 135.73 48.78 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.997 -1.001 . . . . 35.99 108.765 169.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 39.9 m -106.7 129.19 54.63 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.378 -1.341 . . . . 37.43 107.378 170.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 25.2 t -125.88 126.86 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 N-CA-C 109.093 -0.706 . . . . 30.03 109.093 -174.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 30.4 tp -100.05 118.4 36.35 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 105.863 -1.903 . . . . 43.93 105.863 174.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 28.1 p90 -145.6 157.86 43.92 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-N 115.68 -0.691 . . . . 34.5 111.051 -166.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -90.52 109.92 37.49 Favored Pre-proline 0 C--O 1.24 0.595 0 CA-C-N 114.934 -1.03 . . . . 35.76 108.867 176.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.18 -13.69 28.48 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 N-CA-C 115.711 1.389 . . . . 39.2 115.711 -173.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.96 -21.34 60.88 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 123.561 0.538 . . . . 42.01 110.928 169.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 87.6 t -106.07 -37.82 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 112.451 0.537 . . . . 41.36 112.451 -175.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 18.9 tt -145.65 149.15 16.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.813 -0.44 . . . . 35.66 109.813 -174.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 86.6 p -109.63 159.61 30.93 Favored Pre-proline 0 N--CA 1.472 0.675 0 C-N-CA 123.165 0.586 . . . . 34.38 110.871 -179.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -57.51 -31.55 91.79 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 121.83 1.687 . . . . 35.83 114.28 173.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -72.31 -38.99 68.58 Favored 'General case' 0 CA--C 1.506 -0.733 0 O-C-N 124.112 0.883 . . . . 67.67 109.608 -178.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -63.07 -39.23 94.11 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.578 0.549 . . . . 56.31 112.068 172.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 52.3 mt -65.79 -42.84 90.23 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 112.222 0.453 . . . . 33.1 112.222 177.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -58.66 -49.82 76.12 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.748 1.219 . . . . 53.3 110.245 176.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.3 84.44 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 115.936 -0.575 . . . . 33.88 112.114 178.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.17 -39.53 82.55 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.927 -0.397 . . . . 31.38 109.927 -177.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.0 mt -65.65 -40.19 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.928 -0.578 . . . . 32.74 109.606 177.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -64.49 -35.87 82.34 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 118.077 -0.963 . . . . 49.22 112.411 175.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -60.82 -28.11 68.56 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 115.033 1.494 . . . . 47.36 115.033 172.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' MET . . . . . . . . . . . . . 90.8 mtp -75.5 -7.39 54.03 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.637 1.347 . . . . 46.78 114.637 171.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.46 18.08 17.65 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 123.604 0.621 . . . . 40.92 114.327 172.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -116.36 135.76 53.59 Favored 'General case' 0 CA--C 1.504 -0.794 0 N-CA-C 108.97 -0.752 . . . . 42.39 108.97 177.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -72.77 127.79 33.61 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 106.526 -1.657 . . . . 75.81 106.526 175.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.13 147.98 50.9 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.383 -0.599 . . . . 40.67 109.383 -173.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.9 m -140.81 136.94 32.94 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 108.874 -0.787 . . . . 46.0 108.874 173.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 52.3 t -73.26 125.69 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 N-CA-C 106.461 -1.681 . . . . 41.12 106.461 172.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' VAL . . . . . . . . . . . . . 52.1 t -102.77 -66.18 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.681 0 N-CA-C 108.348 -0.982 . . . . 63.17 108.348 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.478 0.96 0 C-N-CA 123.286 0.634 . . . . 69.96 112.133 -176.241 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' 9UX . . . . . 0.731 'MO1 ' ' O1 ' ' A' ' 101' ' ' 9UX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . 0.68 ' O ' ' O ' ' A' ' 26' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . 0.501 ' O ' ' N ' ' A' ' 2' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . 0.415 ' O ' ' O ' ' B' ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 204' ' ' HOH . 41.9 t . . . . . 0 N--CA 1.495 1.807 0 CA-C-O 119.528 -0.272 . . . . 74.44 110.591 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.45 156.89 18.95 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.568 0.543 . . . . 42.79 111.713 165.714 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.8 t -119.25 144.54 46.7 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.148 -0.686 . . . . 42.73 109.148 175.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.6 t -138.5 147.05 42.73 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.365 -1.346 . . . . 37.26 107.365 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.0 tp -105.44 125.68 51.26 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.599 -1.259 . . . . 44.53 107.599 172.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 77.5 mt -121.73 123.75 70.03 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 N-CA-C 108.794 -0.817 . . . . 36.7 108.794 -179.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.89 128.99 35.57 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 109.166 -0.679 . . . . 39.5 109.166 172.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 46.7 mt -125.76 125.28 68.14 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.752 0 N-CA-C 106.816 -1.55 . . . . 37.84 106.816 179.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.06 147.09 23.79 Favored 'General case' 0 CA--C 1.514 -0.432 0 O-C-N 123.822 0.701 . . . . 40.66 111.096 -177.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.82 15.63 81.45 Favored Glycine 0 N--CA 1.432 -1.575 0 N-CA-C 117.68 1.832 . . . . 38.83 117.68 175.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 72.2 mtm -76.08 112.78 12.89 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.44 -1.318 . . . . 39.77 107.44 171.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . 0.467 HG23 ' S1 ' ' A' ' 101' ' ' 9UX . 2.4 t -134.87 6.15 3.4 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.97 1.1 . . . . 49.76 113.97 -169.865 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.4 p -145.09 163.15 35.19 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-O 121.515 0.674 . . . . 39.94 110.697 170.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.25 -48.2 76.68 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 114.185 -1.371 . . . . 41.6 109.758 178.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.0 t -50.12 -40.9 47.49 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.201 1.556 . . . . 43.54 115.201 179.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.8 m -69.33 -43.39 73.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.002 -0.545 . . . . 37.8 110.985 177.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -60.43 -42.87 92.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 118.778 -1.169 . . . . 40.69 109.254 178.913 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -65.03 -39.28 93.13 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 113.822 1.045 . . . . 48.49 113.822 177.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.2 m -58.36 -49.54 76.88 Favored 'General case' 0 CA--C 1.504 -0.808 0 O-C-N 123.892 0.745 . . . . 37.2 111.228 172.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 60.5 mt -59.27 -48.89 85.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 O-C-N 124.024 0.828 . . . . 33.77 110.508 178.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -64.54 -42.09 95.93 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.618 -0.433 . . . . 47.82 110.268 -178.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.71 -49.66 76.19 Favored Glycine 0 N--CA 1.464 0.527 0 O-C-N 123.755 0.659 . . . . 42.6 112.421 179.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -49.47 62.32 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 115.625 -0.288 . . . . 68.75 110.38 -178.236 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.3 mm -67.9 -42.96 86.14 Favored 'Isoleucine or valine' 0 C--O 1.245 0.838 0 N-CA-C 111.925 0.343 . . . . 36.41 111.925 -175.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' SER . . . . . 0.68 ' O ' ' O ' ' A' ' 201' ' ' HOH . 50.9 p -60.76 -26.49 67.27 Favored 'General case' 0 C--O 1.209 -1.06 0 N-CA-C 113.323 0.86 . . . . 28.36 113.323 179.695 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -85.17 -8.11 58.75 Favored 'General case' 0 CA--C 1.497 -1.064 0 N-CA-C 114.344 1.238 . . . . 42.64 114.344 -179.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.38 143.28 57.25 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 118.783 -1.167 . . . . 33.04 110.377 175.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -56.96 133.43 54.81 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 108.086 -1.079 . . . . 56.54 108.086 176.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.09 -8.14 80.54 Favored Glycine 0 N--CA 1.434 -1.46 0 N-CA-C 116.486 1.354 . . . . 28.34 116.486 -178.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . 0.633 ' O ' ' O ' ' A' ' 201' ' ' HOH . 89.3 t -97.99 114.02 34.18 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.434 0 CA-C-N 119.023 1.412 . . . . 26.35 109.083 -177.492 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -85.0 -45.15 12.43 Favored 'General case' 0 N--CA 1.428 -1.565 0 CA-C-N 114.513 -1.221 . . . . 42.1 111.552 -176.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -152.19 150.07 29.43 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 120.538 -0.465 . . . . 57.95 110.787 -174.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.5 tt -143.92 133.0 19.55 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 O-C-N 123.565 0.54 . . . . 36.05 110.88 173.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.8 p -127.8 133.03 49.42 Favored 'General case' 0 C--O 1.214 -0.771 0 C-N-CA 120.139 -0.624 . . . . 42.59 109.502 168.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.9 t -104.91 137.31 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.331 0 N-CA-C 107.837 -1.171 . . . . 49.1 107.837 178.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.9 t -107.39 115.75 30.71 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 108.476 -0.935 . . . . 52.04 108.476 166.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.9 tp -65.41 -38.79 91.0 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 116.093 -0.503 . . . . 53.94 111.861 172.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.5 -47.72 77.86 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 113.54 0.941 . . . . 50.86 113.54 179.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -69.69 -29.23 66.61 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.305 0.854 . . . . 79.73 113.305 174.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.86 36.48 74.15 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 112.343 -0.303 . . . . 39.43 112.343 -167.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.2 p -127.31 159.17 35.2 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.389 0.614 . . . . 40.53 111.791 -177.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -124.29 130.01 51.76 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 106.071 -1.826 . . . . 32.91 106.071 166.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.0 m -102.82 126.17 49.85 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 106.593 -1.632 . . . . 34.9 106.593 172.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.8 t -123.28 128.91 75.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.784 -0.45 . . . . 29.87 109.784 -173.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.9 tp -99.49 118.35 35.88 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 107.475 -1.306 . . . . 35.71 107.475 172.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -143.05 161.64 37.63 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 122.248 1.023 . . . . 30.69 112.292 -169.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.2 t-20 -95.28 108.47 39.18 Favored Pre-proline 0 N--CA 1.439 -0.995 0 CA-C-N 114.389 -1.278 . . . . 32.32 109.09 176.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -64.91 -16.18 54.1 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 N-CA-C 116.713 1.774 . . . . 32.3 116.713 179.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.04 -23.91 67.32 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 118.8 0.727 . . . . 33.29 112.099 170.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.0 t -110.26 -40.82 4.33 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.875 0 N-CA-C 113.934 1.087 . . . . 39.8 113.934 -174.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.7 tt -144.69 152.38 15.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.268 -0.641 . . . . 30.8 109.268 -171.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.0 p -118.23 160.84 37.8 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.859 -0.61 . . . . 32.72 109.529 -174.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -57.08 -35.91 99.07 Favored 'Trans proline' 0 N--CA 1.484 0.948 0 N-CA-C 113.887 0.687 . . . . 31.22 113.887 171.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -61.89 -42.24 98.84 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 112.431 0.53 . . . . 53.89 112.431 177.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -70.08 -34.58 73.35 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.518 0.562 . . . . 43.89 112.518 176.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 62.3 mt -62.81 -48.02 80.93 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 120.694 -0.403 . . . . 30.53 110.735 173.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -55.85 -47.22 77.67 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 109.447 -0.575 . . . . 41.44 109.447 175.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.77 -41.64 87.09 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 112.107 0.41 . . . . 30.16 112.107 177.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.24 96.11 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 119.594 -0.842 . . . . 31.15 111.358 178.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.7 mt -61.47 -43.64 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-O 121.426 0.632 . . . . 34.28 109.84 176.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -66.88 -35.18 79.45 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 113.99 1.108 . . . . 47.0 113.99 176.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -61.4 -30.32 70.48 Favored 'General case' 0 C--O 1.207 -1.136 0 CA-C-N 119.857 1.208 . . . . 56.89 113.518 169.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 87.8 mtp -71.94 -14.6 61.96 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 114.333 1.235 . . . . 55.14 114.333 173.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.7 19.04 9.48 Favored Glycine 0 C--O 1.215 -1.033 0 N-CA-C 116.013 1.165 . . . . 40.85 116.013 171.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -116.42 138.6 51.23 Favored 'General case' 0 CA--C 1.503 -0.848 0 N-CA-C 107.172 -1.418 . . . . 39.07 107.172 176.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -66.97 137.6 56.64 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 106.786 -1.561 . . . . 82.96 106.786 171.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -144.32 160.42 41.05 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-O 121.546 0.689 . . . . 36.45 110.914 179.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.3 p -156.65 144.28 19.2 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 114.977 -1.011 . . . . 42.96 109.1 172.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.1 t -75.97 129.18 37.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 106.809 -1.552 . . . . 37.18 106.809 179.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 68.4 t -90.13 -58.03 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 O-C-N 124.123 0.889 . . . . 56.96 109.408 178.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.7 p . . . . . 0 N--CA 1.467 0.406 0 CA-C-N 115.961 -0.563 . . . . 73.74 109.981 -175.268 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 120.647 0.261 . . . . 78.18 111.654 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 5.7 m -89.59 153.92 20.39 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.749 -0.659 . . . . 62.97 112.291 175.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 72.3 m -107.32 159.57 16.27 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 114.848 -1.069 . . . . 43.42 109.261 179.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.83 142.01 46.61 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.62 -1.173 . . . . 37.86 108.044 179.518 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 10.1 t -134.84 145.64 48.5 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 108.525 -0.917 . . . . 42.29 108.525 175.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 45.6 tp -110.49 128.32 55.56 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 107.542 -1.281 . . . . 40.91 107.542 175.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 34.2 mt -124.86 121.65 61.64 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.549 0 N-CA-C 106.802 -1.555 . . . . 38.35 106.802 -176.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.27 135.42 37.54 Favored 'General case' 0 C--O 1.21 -0.993 0 N-CA-C 106.872 -1.529 . . . . 33.23 106.872 171.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 21.3 mt -126.09 119.43 54.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 107.602 -1.259 . . . . 37.24 107.602 179.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.97 135.95 33.18 Favored 'General case' 0 CA--C 1.51 -0.563 0 O-C-N 123.674 0.609 . . . . 37.85 109.536 179.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.35 6.74 59.76 Favored Glycine 0 C--O 1.215 -1.089 0 N-CA-C 118.525 2.17 . . . . 34.79 118.525 167.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' MET . . . . . . . . . . . . . 70.1 mtm -73.46 118.76 16.8 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 107.479 -1.304 . . . . 39.02 107.479 173.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 3.4 p -130.1 8.19 5.14 Favored 'General case' 0 C--O 1.208 -1.108 0 N-CA-C 112.682 0.623 . . . . 38.49 112.682 -173.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 26.8 p -154.79 154.18 32.39 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 121.662 -0.648 . . . . 31.73 110.201 -173.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.48 -35.15 80.01 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.552 -0.749 . . . . 29.06 110.665 -179.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 32.5 t -62.59 -44.7 95.67 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.758 -0.656 . . . . 43.19 112.761 -176.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 65.8 m -62.97 -40.0 96.39 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.179 0.437 . . . . 32.59 112.179 175.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.0 t -55.76 -52.35 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 121.041 0.448 . . . . 36.23 110.609 177.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' HIS . . . . . 0.514 ' HB3' ' O ' ' B' ' 232' ' ' HOH . 37.0 m80 -59.34 -41.72 89.84 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 114.523 -1.217 . . . . 59.25 111.405 178.466 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 23.4 m -60.47 -43.87 96.48 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 113.361 0.874 . . . . 38.03 113.361 176.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 54.6 mt -66.2 -48.76 80.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.063 -0.717 . . . . 32.85 109.063 -178.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -58.77 -48.59 80.7 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 116.088 -0.505 . . . . 35.53 111.427 177.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.64 -46.93 88.2 Favored Glycine 0 C--O 1.218 -0.885 0 O-C-N 123.153 0.283 . . . . 36.52 113.572 178.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.32 -44.75 28.49 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 117.952 0.876 . . . . 72.13 111.646 -176.197 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 39.8 mm -67.04 -40.5 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 N-CA-C 110.183 -0.302 . . . . 35.84 110.183 -177.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 92.8 p -57.0 -35.72 69.56 Favored 'General case' 0 C--O 1.206 -1.217 0 C-N-CA 120.08 -0.648 . . . . 30.27 111.773 179.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -69.23 -13.64 62.52 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 116.06 1.874 . . . . 49.12 116.06 -179.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 93.1 mt -66.73 142.19 57.48 Favored 'General case' 0 C--O 1.247 0.935 0 N-CA-C 108.02 -1.104 . . . . 33.67 108.02 -177.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -56.98 132.05 51.66 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.385 -0.825 . . . . 51.76 109.16 179.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.65 -0.17 84.6 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 115.698 1.039 . . . . 28.61 115.698 179.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' B' ' 201' ' ' HOH . 95.0 t -97.95 110.24 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 CA-C-N 118.14 0.97 . . . . 28.65 110.889 -179.072 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -74.09 -54.92 6.8 Favored 'General case' 0 CA--C 1.505 -0.771 0 N-CA-C 108.714 -0.847 . . . . 54.06 108.714 -177.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -152.35 154.63 36.02 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.87 -1.059 . . . . 61.19 110.554 -176.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 8.9 tt -140.98 128.82 22.72 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.622 0 N-CA-C 107.653 -1.24 . . . . 30.91 107.653 173.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 8.3 t -120.2 109.18 15.11 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 106.445 -1.687 . . . . 42.52 106.445 177.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 79.3 t -91.0 128.73 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 107.931 -1.137 . . . . 37.02 107.931 177.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 27.6 t -100.51 104.1 15.46 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.753 -0.832 . . . . 34.85 108.753 169.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 51.0 tp -58.0 -42.46 85.25 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.984 -0.553 . . . . 39.15 109.982 170.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.89 82.6 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.726 1.009 . . . . 43.24 113.726 179.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -93.35 -6.03 48.2 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 113.531 0.937 . . . . 67.73 113.531 -176.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.03 35.66 92.12 Favored Glycine 0 C--O 1.239 0.424 0 N-CA-C 114.021 0.368 . . . . 35.73 114.021 -177.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 70.4 p -135.01 162.53 32.18 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.36 0.6 . . . . 42.0 112.542 -176.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.78 135.73 48.78 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.997 -1.001 . . . . 35.99 108.765 169.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 39.9 m -106.7 129.19 54.63 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.378 -1.341 . . . . 37.43 107.378 170.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 25.2 t -125.88 126.86 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 N-CA-C 109.093 -0.706 . . . . 30.03 109.093 -174.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 30.4 tp -100.05 118.4 36.35 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 105.863 -1.903 . . . . 43.93 105.863 174.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 28.1 p90 -145.6 157.86 43.92 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-N 115.68 -0.691 . . . . 34.5 111.051 -166.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -90.52 109.92 37.49 Favored Pre-proline 0 C--O 1.24 0.595 0 CA-C-N 114.934 -1.03 . . . . 35.76 108.867 176.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.18 -13.69 28.48 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 N-CA-C 115.711 1.389 . . . . 39.2 115.711 -173.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.96 -21.34 60.88 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 123.561 0.538 . . . . 42.01 110.928 169.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 87.6 t -106.07 -37.82 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 112.451 0.537 . . . . 41.36 112.451 -175.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 18.9 tt -145.65 149.15 16.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.813 -0.44 . . . . 35.66 109.813 -174.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 86.6 p -109.63 159.61 30.93 Favored Pre-proline 0 N--CA 1.472 0.675 0 C-N-CA 123.165 0.586 . . . . 34.38 110.871 -179.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -57.51 -31.55 91.79 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 121.83 1.687 . . . . 35.83 114.28 173.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -72.31 -38.99 68.58 Favored 'General case' 0 CA--C 1.506 -0.733 0 O-C-N 124.112 0.883 . . . . 67.67 109.608 -178.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -63.07 -39.23 94.11 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.578 0.549 . . . . 56.31 112.068 172.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 52.3 mt -65.79 -42.84 90.23 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 112.222 0.453 . . . . 33.1 112.222 177.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -58.66 -49.82 76.12 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.748 1.219 . . . . 53.3 110.245 176.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.3 84.44 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 115.936 -0.575 . . . . 33.88 112.114 178.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.17 -39.53 82.55 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.927 -0.397 . . . . 31.38 109.927 -177.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.0 mt -65.65 -40.19 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.928 -0.578 . . . . 32.74 109.606 177.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' B' ' 66' ' ' PHE . 96.1 mt-10 -64.49 -35.87 82.34 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 118.077 -0.963 . . . . 49.22 112.411 175.356 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -60.82 -28.11 68.56 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 115.033 1.494 . . . . 47.36 115.033 172.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' MET . . . . . . . . . . . . . 90.8 mtp -75.5 -7.39 54.03 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.637 1.347 . . . . 46.78 114.637 171.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.46 18.08 17.65 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 123.604 0.621 . . . . 40.92 114.327 172.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' PHE . . . . . 0.457 ' O ' ' HA ' ' B' ' 62' ' ' GLU . 86.3 m-85 -116.36 135.76 53.59 Favored 'General case' 0 CA--C 1.504 -0.794 0 N-CA-C 108.97 -0.752 . . . . 42.39 108.97 177.064 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -72.77 127.79 33.61 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 106.526 -1.657 . . . . 75.81 106.526 175.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.13 147.98 50.9 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.383 -0.599 . . . . 40.67 109.383 -173.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.9 m -140.81 136.94 32.94 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 108.874 -0.787 . . . . 46.0 108.874 173.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 52.3 t -73.26 125.69 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 N-CA-C 106.461 -1.681 . . . . 41.12 106.461 172.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' VAL . . . . . . . . . . . . . 52.1 t -102.77 -66.18 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.681 0 N-CA-C 108.348 -0.982 . . . . 63.17 108.348 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.478 0.96 0 C-N-CA 123.286 0.634 . . . . 69.96 112.133 -176.241 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' 9UX . . . . . 0.731 'MO1 ' ' O1 ' ' A' ' 101' ' ' 9UX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . 0.68 ' O ' ' O ' ' A' ' 26' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . 0.501 ' O ' ' N ' ' A' ' 2' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . 0.462 ' O ' ' HB2' ' A' ' 2' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . 0.415 ' O ' ' O ' ' B' ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 232' ' ' HOH . . . . . 0.514 ' O ' ' HB3' ' B' ' 19' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 204' ' ' HOH . 41.9 t . . . . . 0 N--CA 1.495 1.807 0 CA-C-O 119.528 -0.272 . . . . 74.44 110.591 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.45 156.89 18.95 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.568 0.543 . . . . 42.79 111.713 165.714 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.8 t -119.25 144.54 46.7 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.148 -0.686 . . . . 42.73 109.148 175.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.6 t -138.5 147.05 42.73 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.365 -1.346 . . . . 37.26 107.365 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.0 tp -105.44 125.68 51.26 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.599 -1.259 . . . . 44.53 107.599 172.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 77.5 mt -121.73 123.75 70.03 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 N-CA-C 108.794 -0.817 . . . . 36.7 108.794 -179.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.89 128.99 35.57 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 109.166 -0.679 . . . . 39.5 109.166 172.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 46.7 mt -125.76 125.28 68.14 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.752 0 N-CA-C 106.816 -1.55 . . . . 37.84 106.816 179.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.06 147.09 23.79 Favored 'General case' 0 CA--C 1.514 -0.432 0 O-C-N 123.822 0.701 . . . . 40.66 111.096 -177.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.82 15.63 81.45 Favored Glycine 0 N--CA 1.432 -1.575 0 N-CA-C 117.68 1.832 . . . . 38.83 117.68 175.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 72.2 mtm -76.08 112.78 12.89 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.44 -1.318 . . . . 39.77 107.44 171.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . 0.467 HG23 ' S1 ' ' A' ' 101' ' ' 9UX . 2.4 t -134.87 6.15 3.4 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.97 1.1 . . . . 49.76 113.97 -169.865 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.4 p -145.09 163.15 35.19 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-O 121.515 0.674 . . . . 39.94 110.697 170.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.25 -48.2 76.68 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 114.185 -1.371 . . . . 41.6 109.758 178.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.0 t -50.12 -40.9 47.49 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.201 1.556 . . . . 43.54 115.201 179.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.8 m -69.33 -43.39 73.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.002 -0.545 . . . . 37.8 110.985 177.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -60.43 -42.87 92.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 118.778 -1.169 . . . . 40.69 109.254 178.913 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -65.03 -39.28 93.13 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 113.822 1.045 . . . . 48.49 113.822 177.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.2 m -58.36 -49.54 76.88 Favored 'General case' 0 CA--C 1.504 -0.808 0 O-C-N 123.892 0.745 . . . . 37.2 111.228 172.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 60.5 mt -59.27 -48.89 85.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 O-C-N 124.024 0.828 . . . . 33.77 110.508 178.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -64.54 -42.09 95.93 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.618 -0.433 . . . . 47.82 110.268 -178.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.71 -49.66 76.19 Favored Glycine 0 N--CA 1.464 0.527 0 O-C-N 123.755 0.659 . . . . 42.6 112.421 179.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -49.47 62.32 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 115.625 -0.288 . . . . 68.75 110.38 -178.236 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.3 mm -67.9 -42.96 86.14 Favored 'Isoleucine or valine' 0 C--O 1.245 0.838 0 N-CA-C 111.925 0.343 . . . . 36.41 111.925 -175.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' SER . . . . . 0.68 ' O ' ' O ' ' A' ' 201' ' ' HOH . 50.9 p -60.76 -26.49 67.27 Favored 'General case' 0 C--O 1.209 -1.06 0 N-CA-C 113.323 0.86 . . . . 28.36 113.323 179.695 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -85.17 -8.11 58.75 Favored 'General case' 0 CA--C 1.497 -1.064 0 N-CA-C 114.344 1.238 . . . . 42.64 114.344 -179.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.38 143.28 57.25 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 118.783 -1.167 . . . . 33.04 110.377 175.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -56.96 133.43 54.81 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 108.086 -1.079 . . . . 56.54 108.086 176.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 89.09 -8.14 80.54 Favored Glycine 0 N--CA 1.434 -1.46 0 N-CA-C 116.486 1.354 . . . . 28.34 116.486 -178.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.633 ' O ' ' O ' ' A' ' 201' ' ' HOH . 89.3 t -97.99 114.02 34.18 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.434 0 CA-C-N 119.023 1.412 . . . . 26.35 109.083 -177.492 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -85.0 -45.15 12.43 Favored 'General case' 0 N--CA 1.428 -1.565 0 CA-C-N 114.513 -1.221 . . . . 42.1 111.552 -176.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -152.19 150.07 29.43 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 120.538 -0.465 . . . . 57.95 110.787 -174.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.5 tt -143.92 133.0 19.55 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 O-C-N 123.565 0.54 . . . . 36.05 110.88 173.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.8 p -127.8 133.03 49.42 Favored 'General case' 0 C--O 1.214 -0.771 0 C-N-CA 120.139 -0.624 . . . . 42.59 109.502 168.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 54.9 t -104.91 137.31 34.79 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.331 0 N-CA-C 107.837 -1.171 . . . . 49.1 107.837 178.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.9 t -107.39 115.75 30.71 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 108.476 -0.935 . . . . 52.04 108.476 166.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.9 tp -65.41 -38.79 91.0 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 116.093 -0.503 . . . . 53.94 111.861 172.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.5 -47.72 77.86 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 113.54 0.941 . . . . 50.86 113.54 179.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -69.69 -29.23 66.61 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.305 0.854 . . . . 79.73 113.305 174.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.86 36.48 74.15 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 112.343 -0.303 . . . . 39.43 112.343 -167.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.2 p -127.31 159.17 35.2 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.389 0.614 . . . . 40.53 111.791 -177.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -124.29 130.01 51.76 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 106.071 -1.826 . . . . 32.91 106.071 166.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.0 m -102.82 126.17 49.85 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 106.593 -1.632 . . . . 34.9 106.593 172.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.8 t -123.28 128.91 75.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.784 -0.45 . . . . 29.87 109.784 -173.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.9 tp -99.49 118.35 35.88 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 107.475 -1.306 . . . . 35.71 107.475 172.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -143.05 161.64 37.63 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 122.248 1.023 . . . . 30.69 112.292 -169.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.2 t-20 -95.28 108.47 39.18 Favored Pre-proline 0 N--CA 1.439 -0.995 0 CA-C-N 114.389 -1.278 . . . . 32.32 109.09 176.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -64.91 -16.18 54.1 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 N-CA-C 116.713 1.774 . . . . 32.3 116.713 179.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.04 -23.91 67.32 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 118.8 0.727 . . . . 33.29 112.099 170.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.0 t -110.26 -40.82 4.33 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.875 0 N-CA-C 113.934 1.087 . . . . 39.8 113.934 -174.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.7 tt -144.69 152.38 15.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.268 -0.641 . . . . 30.8 109.268 -171.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.0 p -118.23 160.84 37.8 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.859 -0.61 . . . . 32.72 109.529 -174.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -57.08 -35.91 99.07 Favored 'Trans proline' 0 N--CA 1.484 0.948 0 N-CA-C 113.887 0.687 . . . . 31.22 113.887 171.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -61.89 -42.24 98.84 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 112.431 0.53 . . . . 53.89 112.431 177.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -70.08 -34.58 73.35 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.518 0.562 . . . . 43.89 112.518 176.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 62.3 mt -62.81 -48.02 80.93 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 120.694 -0.403 . . . . 30.53 110.735 173.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -55.85 -47.22 77.67 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 109.447 -0.575 . . . . 41.44 109.447 175.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.77 -41.64 87.09 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 112.107 0.41 . . . . 30.16 112.107 177.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.24 96.11 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 119.594 -0.842 . . . . 31.15 111.358 178.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 36.7 mt -61.47 -43.64 97.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-O 121.426 0.632 . . . . 34.28 109.84 176.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -66.88 -35.18 79.45 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 113.99 1.108 . . . . 47.0 113.99 176.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -61.4 -30.32 70.48 Favored 'General case' 0 C--O 1.207 -1.136 0 CA-C-N 119.857 1.208 . . . . 56.89 113.518 169.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 87.8 mtp -71.94 -14.6 61.96 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 114.333 1.235 . . . . 55.14 114.333 173.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.7 19.04 9.48 Favored Glycine 0 C--O 1.215 -1.033 0 N-CA-C 116.013 1.165 . . . . 40.85 116.013 171.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -116.42 138.6 51.23 Favored 'General case' 0 CA--C 1.503 -0.848 0 N-CA-C 107.172 -1.418 . . . . 39.07 107.172 176.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -66.97 137.6 56.64 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 106.786 -1.561 . . . . 82.96 106.786 171.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -144.32 160.42 41.05 Favored 'General case' 0 CA--C 1.498 -1.049 0 CA-C-O 121.546 0.689 . . . . 36.45 110.914 179.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.3 p -156.65 144.28 19.2 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 114.977 -1.011 . . . . 42.96 109.1 172.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.1 t -75.97 129.18 37.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 106.809 -1.552 . . . . 37.18 106.809 179.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 68.4 t -90.13 -58.03 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 O-C-N 124.123 0.889 . . . . 56.96 109.408 178.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.7 p . . . . . 0 N--CA 1.467 0.406 0 CA-C-N 115.961 -0.563 . . . . 73.74 109.981 -175.268 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' THR . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 120.647 0.261 . . . . 78.18 111.654 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 5.7 m -89.59 153.92 20.39 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.749 -0.659 . . . . 62.97 112.291 175.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 72.3 m -107.32 159.57 16.27 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 114.848 -1.069 . . . . 43.42 109.261 179.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.83 142.01 46.61 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.62 -1.173 . . . . 37.86 108.044 179.518 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 10.1 t -134.84 145.64 48.5 Favored 'General case' 0 C--O 1.212 -0.874 0 N-CA-C 108.525 -0.917 . . . . 42.29 108.525 175.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 45.6 tp -110.49 128.32 55.56 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 107.542 -1.281 . . . . 40.91 107.542 175.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 34.2 mt -124.86 121.65 61.64 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.549 0 N-CA-C 106.802 -1.555 . . . . 38.35 106.802 -176.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.27 135.42 37.54 Favored 'General case' 0 C--O 1.21 -0.993 0 N-CA-C 106.872 -1.529 . . . . 33.23 106.872 171.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 21.3 mt -126.09 119.43 54.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 107.602 -1.259 . . . . 37.24 107.602 179.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.97 135.95 33.18 Favored 'General case' 0 CA--C 1.51 -0.563 0 O-C-N 123.674 0.609 . . . . 37.85 109.536 179.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.35 6.74 59.76 Favored Glycine 0 C--O 1.215 -1.089 0 N-CA-C 118.525 2.17 . . . . 34.79 118.525 167.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' MET . . . . . . . . . . . . . 70.1 mtm -73.46 118.76 16.8 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 107.479 -1.304 . . . . 39.02 107.479 173.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 3.4 p -130.1 8.19 5.14 Favored 'General case' 0 C--O 1.208 -1.108 0 N-CA-C 112.682 0.623 . . . . 38.49 112.682 -173.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 26.8 p -154.79 154.18 32.39 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 121.662 -0.648 . . . . 31.73 110.201 -173.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.48 -35.15 80.01 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.552 -0.749 . . . . 29.06 110.665 -179.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 32.5 t -62.59 -44.7 95.67 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.758 -0.656 . . . . 43.19 112.761 -176.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 65.8 m -62.97 -40.0 96.39 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 112.179 0.437 . . . . 32.59 112.179 175.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.0 t -55.76 -52.35 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 121.041 0.448 . . . . 36.23 110.609 177.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' HIS . . . . . 0.514 ' HB3' ' O ' ' B' ' 232' ' ' HOH . 37.0 m80 -59.34 -41.72 89.84 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-N 114.523 -1.217 . . . . 59.25 111.405 178.466 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 23.4 m -60.47 -43.87 96.48 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 113.361 0.874 . . . . 38.03 113.361 176.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ILE . . . . . . . . . . . . . 54.6 mt -66.2 -48.76 80.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.063 -0.717 . . . . 32.85 109.063 -178.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -58.77 -48.59 80.7 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-N 116.088 -0.505 . . . . 35.53 111.427 177.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -56.64 -46.93 88.2 Favored Glycine 0 C--O 1.218 -0.885 0 O-C-N 123.153 0.283 . . . . 36.52 113.572 178.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.32 -44.75 28.49 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 117.952 0.876 . . . . 72.13 111.646 -176.197 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 39.8 mm -67.04 -40.5 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 N-CA-C 110.183 -0.302 . . . . 35.84 110.183 -177.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 92.8 p -57.0 -35.72 69.56 Favored 'General case' 0 C--O 1.206 -1.217 0 C-N-CA 120.08 -0.648 . . . . 30.27 111.773 179.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -69.23 -13.64 62.52 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 116.06 1.874 . . . . 49.12 116.06 -179.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 93.1 mt -66.73 142.19 57.48 Favored 'General case' 0 C--O 1.247 0.935 0 N-CA-C 108.02 -1.104 . . . . 33.67 108.02 -177.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -56.98 132.05 51.66 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.385 -0.825 . . . . 51.76 109.16 179.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.65 -0.17 84.6 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 115.698 1.039 . . . . 28.61 115.698 179.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.415 ' O ' ' O ' ' B' ' 201' ' ' HOH . 95.0 t -97.95 110.24 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 CA-C-N 118.14 0.97 . . . . 28.65 110.889 -179.072 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -74.09 -54.92 6.8 Favored 'General case' 0 CA--C 1.505 -0.771 0 N-CA-C 108.714 -0.847 . . . . 54.06 108.714 -177.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -152.35 154.63 36.02 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.87 -1.059 . . . . 61.19 110.554 -176.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 8.9 tt -140.98 128.82 22.72 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.622 0 N-CA-C 107.653 -1.24 . . . . 30.91 107.653 173.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 8.3 t -120.2 109.18 15.11 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 106.445 -1.687 . . . . 42.52 106.445 177.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 79.3 t -91.0 128.73 42.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 107.931 -1.137 . . . . 37.02 107.931 177.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 27.6 t -100.51 104.1 15.46 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.753 -0.832 . . . . 34.85 108.753 169.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 51.0 tp -58.0 -42.46 85.25 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.984 -0.553 . . . . 39.15 109.982 170.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.89 82.6 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.726 1.009 . . . . 43.24 113.726 179.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -93.35 -6.03 48.2 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 113.531 0.937 . . . . 67.73 113.531 -176.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.03 35.66 92.12 Favored Glycine 0 C--O 1.239 0.424 0 N-CA-C 114.021 0.368 . . . . 35.73 114.021 -177.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 70.4 p -135.01 162.53 32.18 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.36 0.6 . . . . 42.0 112.542 -176.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.78 135.73 48.78 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.997 -1.001 . . . . 35.99 108.765 169.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 39.9 m -106.7 129.19 54.63 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 107.378 -1.341 . . . . 37.43 107.378 170.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 25.2 t -125.88 126.86 70.64 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 N-CA-C 109.093 -0.706 . . . . 30.03 109.093 -174.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 30.4 tp -100.05 118.4 36.35 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 105.863 -1.903 . . . . 43.93 105.863 174.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 28.1 p90 -145.6 157.86 43.92 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-N 115.68 -0.691 . . . . 34.5 111.051 -166.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -90.52 109.92 37.49 Favored Pre-proline 0 C--O 1.24 0.595 0 CA-C-N 114.934 -1.03 . . . . 35.76 108.867 176.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.18 -13.69 28.48 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 N-CA-C 115.711 1.389 . . . . 39.2 115.711 -173.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.96 -21.34 60.88 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 123.561 0.538 . . . . 42.01 110.928 169.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 87.6 t -106.07 -37.82 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 112.451 0.537 . . . . 41.36 112.451 -175.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 18.9 tt -145.65 149.15 16.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 109.813 -0.44 . . . . 35.66 109.813 -174.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 86.6 p -109.63 159.61 30.93 Favored Pre-proline 0 N--CA 1.472 0.675 0 C-N-CA 123.165 0.586 . . . . 34.38 110.871 -179.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -57.51 -31.55 91.79 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 121.83 1.687 . . . . 35.83 114.28 173.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -72.31 -38.99 68.58 Favored 'General case' 0 CA--C 1.506 -0.733 0 O-C-N 124.112 0.883 . . . . 67.67 109.608 -178.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -63.07 -39.23 94.11 Favored 'General case' 0 C--O 1.218 -0.584 0 O-C-N 123.578 0.549 . . . . 56.31 112.068 172.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 52.3 mt -65.79 -42.84 90.23 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 112.222 0.453 . . . . 33.1 112.222 177.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -58.66 -49.82 76.12 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.748 1.219 . . . . 53.3 110.245 176.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.3 84.44 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 115.936 -0.575 . . . . 33.88 112.114 178.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.17 -39.53 82.55 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.927 -0.397 . . . . 31.38 109.927 -177.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.0 mt -65.65 -40.19 87.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.928 -0.578 . . . . 32.74 109.606 177.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' B' ' 66' ' ' PHE . 96.1 mt-10 -64.49 -35.87 82.34 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 118.077 -0.963 . . . . 49.22 112.411 175.356 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -60.82 -28.11 68.56 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 115.033 1.494 . . . . 47.36 115.033 172.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' MET . . . . . . . . . . . . . 90.8 mtp -75.5 -7.39 54.03 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.637 1.347 . . . . 46.78 114.637 171.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.46 18.08 17.65 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 123.604 0.621 . . . . 40.92 114.327 172.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.457 ' O ' ' HA ' ' B' ' 62' ' ' GLU . 86.3 m-85 -116.36 135.76 53.59 Favored 'General case' 0 CA--C 1.504 -0.794 0 N-CA-C 108.97 -0.752 . . . . 42.39 108.97 177.064 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -72.77 127.79 33.61 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 106.526 -1.657 . . . . 75.81 106.526 175.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.13 147.98 50.9 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.383 -0.599 . . . . 40.67 109.383 -173.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.9 m -140.81 136.94 32.94 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 108.874 -0.787 . . . . 46.0 108.874 173.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 52.3 t -73.26 125.69 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 N-CA-C 106.461 -1.681 . . . . 41.12 106.461 172.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' VAL . . . . . . . . . . . . . 52.1 t -102.77 -66.18 1.23 Allowed 'Isoleucine or valine' 0 C--O 1.242 0.681 0 N-CA-C 108.348 -0.982 . . . . 63.17 108.348 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.478 0.96 0 C-N-CA 123.286 0.634 . . . . 69.96 112.133 -176.241 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' 9UX . . . . . 0.731 'MO1 ' ' O1 ' ' A' ' 101' ' ' 9UX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . 0.68 ' O ' ' O ' ' A' ' 26' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . 0.501 ' O ' ' N ' ' A' ' 2' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . 0.462 ' O ' ' HB2' ' A' ' 2' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . 0.415 ' O ' ' O ' ' B' ' 31' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 232' ' ' HOH . . . . . 0.514 ' O ' ' HB3' ' B' ' 19' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_