data_6w40_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 6w40 _Structure_validation_residue.Date_analyzed 2020-04-03 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 ' 0' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 208' ' ' HOH . . . . . . . . 0 N--CA 1.45 -0.37 0 CA-C-O 120.748 0.082 . . . . 66.94 113.025 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.8 -24.64 64.43 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 112.369 0.507 . . . . 84.03 112.369 179.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -74.18 -52.65 11.82 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 118.035 0.38 . . . . 80.35 111.608 -177.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -64.89 -37.13 86.6 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.992 -0.683 . . . . 62.5 111.161 -177.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -57.89 -46.61 84.64 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.707 -0.397 . . . . 77.31 110.953 176.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . 0.734 ' NZ ' ' OD2' ' A' ' 9' ' ' ASP . 22.1 tptp -58.98 -37.87 77.82 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.85 -0.34 . . . . 54.25 111.185 176.92 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -72.44 -37.95 68.44 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.128 -0.629 . . . . 74.68 111.343 -179.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.3 mp -59.55 -38.06 80.07 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.557 -0.457 . . . . 47.43 110.996 173.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -68.55 -41.63 79.51 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.63 -0.428 . . . . 68.84 111.27 179.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASP . . . . . 0.734 ' OD2' ' NZ ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -58.06 -47.53 82.87 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.787 -0.365 . . . . 61.88 111.207 178.609 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 72.0 mmm -61.22 -41.9 97.66 Favored 'General case' 0 C--O 1.237 0.416 0 O-C-N 122.144 -0.348 . . . . 85.43 111.554 -179.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 55.3 mtp -63.37 -30.09 71.28 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.242 -0.583 . . . . 66.58 111.748 178.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -67.65 -44.81 77.02 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 119.937 -0.705 . . . . 72.81 110.803 174.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.1 mm -62.06 -43.36 97.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-O 120.939 0.4 . . . . 53.11 110.737 -175.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 19' ' ' MET . 32.9 m -69.39 -33.32 56.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 C-N-CA 120.114 -0.634 . . . . 60.2 110.977 -175.098 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.0 mt -73.54 -44.29 53.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 C-N-CA 119.856 -0.738 . . . . 57.92 110.555 -178.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -75.13 -52.57 10.65 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 121.866 -0.521 . . . . 72.98 111.735 -175.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.45 9.5 23.32 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 113.486 0.921 . . . . 66.0 113.486 -165.995 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -132.89 -78.73 0.49 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-N 118.517 0.599 . . . . 71.75 110.434 178.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 14' ' ' VAL . 19.9 ttm -48.1 92.59 0.01 OUTLIER 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.014 0.526 . . . . 84.46 110.477 179.087 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' THR . . . . . 0.541 ' OG1' ' N ' ' A' ' 21' ' ' GLY . 2.6 t 28.26 -135.12 0.01 OUTLIER 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.581 1.552 . . . . 98.34 111.156 -165.022 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLY . . . . . 0.541 ' N ' ' OG1' ' A' ' 20' ' ' THR . . . -82.62 -59.11 2.28 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 109.36 -1.496 . . . . 96.0 109.36 168.411 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 t0 50.97 28.62 3.92 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 123.368 0.667 . . . . 82.04 111.551 -178.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -71.81 -9.51 58.41 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.289 0.478 . . . . 67.54 112.289 175.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.72 -28.78 68.7 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.447 -0.501 . . . . 80.53 111.06 167.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.02 6.39 9.5 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.958 0.725 . . . . 61.12 112.958 177.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -63.89 -25.23 68.06 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 118.126 0.421 . . . . 54.21 112.069 175.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -71.33 -36.6 71.62 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.821 -0.352 . . . . 68.77 111.429 -177.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -76.95 -16.73 59.26 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 112.859 0.689 . . . . 94.74 112.859 -176.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 30.8 mtm -107.46 -3.69 19.23 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 113.015 0.746 . . . . 69.37 113.015 179.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.02 133.91 34.23 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 118.417 0.553 . . . . 49.8 110.484 -178.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.66 144.17 89.64 Favored Pre-proline 0 C--O 1.235 0.306 0 N-CA-C 109.36 -0.607 . . . . 54.55 109.36 171.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -53.54 -29.65 50.86 Favored 'Trans proline' 0 C--O 1.239 0.531 0 N-CA-C 113.654 0.598 . . . . 51.02 113.654 176.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -109.48 39.35 2.11 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 123.448 0.699 . . . . 49.67 111.214 178.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.46 140.07 20.12 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 CA-C-O 121.288 0.566 . . . . 41.44 109.789 -179.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -103.65 148.48 25.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.262 0.553 . . . . 51.48 110.17 175.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -144.01 122.37 12.34 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 108.486 -0.931 . . . . 48.36 108.486 -176.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -129.41 129.01 44.15 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.402 -0.592 . . . . 66.78 109.402 174.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.2 t -110.71 133.84 54.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 108.203 -1.036 . . . . 44.02 108.203 -179.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASP . . . . . 0.419 ' OD1' ' ND1' ' A' ' 44' ' ' HIS . 70.3 m-20 -116.46 98.47 6.58 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.646 -1.242 . . . . 57.7 107.646 177.192 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.6 t -114.98 92.8 2.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 106.527 -1.656 . . . . 52.3 106.527 177.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.84 -123.39 18.67 Favored Glycine 0 C--O 1.238 0.393 0 N-CA-C 110.436 -1.066 . . . . 54.45 110.436 -179.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -95.72 -1.18 50.48 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 112.824 0.676 . . . . 66.15 112.824 178.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -90.55 130.1 36.63 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 108.996 -0.742 . . . . 96.99 108.996 174.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' HIS . . . . . 0.419 ' ND1' ' OD1' ' A' ' 39' ' ' ASP . 82.2 m-70 -129.86 116.13 18.24 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 108.876 -0.787 . . . . 64.12 108.876 -177.074 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 53.2 mt -106.34 142.91 18.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 108.561 -0.903 . . . . 50.22 108.561 -175.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -136.19 123.29 21.61 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 108.725 -0.842 . . . . 60.38 108.725 177.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -126.87 153.53 45.59 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.488 -0.56 . . . . 77.78 109.488 178.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -139.79 146.6 39.65 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.669 -0.696 . . . . 51.63 109.601 178.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.79 145.47 19.0 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.565 -0.743 . . . . 42.74 111.748 -176.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -63.44 -37.97 89.35 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 117.67 0.735 . . . . 69.43 111.582 -173.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -74.89 -39.65 61.37 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.372 -0.531 . . . . 71.15 111.915 -176.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.54 -37.88 89.08 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.273 -0.571 . . . . 91.36 111.321 176.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.3 t -71.7 -46.6 61.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 120.936 0.398 . . . . 48.64 110.588 -176.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.8 t -61.81 -43.61 97.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 O-C-N 121.985 -0.447 . . . . 47.74 110.69 -176.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -62.79 -40.24 96.71 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.21 -0.596 . . . . 91.01 111.31 178.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -71.58 -43.92 65.43 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.141 -0.623 . . . . 63.14 111.195 -179.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.33 -38.58 87.39 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.475 -0.49 . . . . 52.02 111.275 178.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 35.0 mt -63.84 -41.35 92.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 120.869 0.366 . . . . 53.79 110.542 179.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -64.06 -39.11 93.34 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.954 -0.699 . . . . 75.5 111.151 176.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 23.6 tp -60.33 -44.83 95.14 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.783 -0.367 . . . . 58.27 110.989 178.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.5 mt -69.78 -30.15 67.64 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.638 -0.425 . . . . 53.29 111.727 179.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -68.51 -33.96 75.05 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.441 -0.504 . . . . 68.02 111.734 178.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -70.74 -30.01 66.42 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.21 -0.596 . . . . 49.31 111.753 -177.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 10.8 m-90 -103.29 -2.32 27.33 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 112.924 0.712 . . . . 50.71 112.924 177.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ARG . . . . . 0.611 ' NH1' ' O ' ' A' ' 201' ' ' HOH . 83.0 mtt180 54.47 49.96 17.16 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.897 0.856 . . . . 52.61 110.754 -178.048 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.7 t -74.7 129.04 36.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 115.395 -0.82 . . . . 54.01 110.02 -171.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -98.27 -48.6 5.01 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.083 -0.508 . . . . 75.11 111.894 168.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -153.58 -165.61 2.19 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 107.898 -1.149 . . . . 72.16 107.898 175.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 80.1 mt -127.48 111.49 25.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 N-CA-C 108.004 -1.11 . . . . 67.47 108.004 -177.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.0 tpp85 -67.45 105.29 1.77 Allowed 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.854 -0.795 . . . . 80.78 108.854 173.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 86.7 mt -83.31 133.02 30.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 N-CA-C 109.902 -0.407 . . . . 67.68 109.902 -168.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' HIS . . . . . 0.403 ' ND1' ' O ' ' A' ' 202' ' ' HOH . 52.5 m170 -99.96 -42.33 6.82 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 112.719 0.636 . . . . 67.57 112.719 173.731 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -154.97 150.38 27.3 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.088 -0.708 . . . . 74.51 109.088 177.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.6 mt -140.07 136.33 37.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 108.703 -0.851 . . . . 56.33 108.703 -179.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -126.76 134.24 50.66 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 108.993 -0.743 . . . . 66.53 108.993 174.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.8 tp -107.72 110.85 22.78 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.94 -1.133 . . . . 55.31 107.94 177.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.3 mt -119.16 84.71 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 108.958 -0.756 . . . . 48.11 108.958 -176.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.14 -103.6 0.96 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.105 -0.569 . . . . 51.5 112.818 -178.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.9 p-10 -106.83 15.36 25.61 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.289 0.478 . . . . 57.6 112.289 -178.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LYS . . . . . 0.5 ' NZ ' ' O ' ' A' ' 203' ' ' HOH . 37.7 ttmt -120.64 131.0 54.38 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.859 0.464 . . . . 52.52 109.841 -174.778 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.2 tp -101.77 130.69 48.25 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.954 -0.758 . . . . 56.4 108.954 171.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.83 119.73 58.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 N-CA-C 107.847 -1.168 . . . . 42.71 107.847 177.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 92.3 t -123.69 131.61 72.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 108.695 -0.854 . . . . 41.29 108.695 -177.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -117.01 125.83 51.97 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 107.876 -1.157 . . . . 80.13 107.876 167.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -160.97 -154.84 7.56 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.941 -0.647 . . . . 52.44 114.383 -175.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ARG . . . . . 0.41 ' NH1' ' OD1' ' A' ' 99' ' ' ASP . 30.8 ttt85 -148.41 142.03 25.5 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 107.943 -1.132 . . . . 89.1 107.943 -174.483 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -63.39 140.76 58.91 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 120.282 -0.567 . . . . 63.46 111.125 -174.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -104.15 93.18 4.7 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 106.285 -1.746 . . . . 77.23 106.285 168.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.0 p -94.12 168.17 11.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.992 0.901 . . . . 62.44 110.909 -174.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 91.8 p -92.69 3.9 54.72 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.258 -0.883 . . . . 67.74 112.763 176.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -65.11 162.69 16.41 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.9 0.857 . . . . 74.63 110.535 177.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -75.67 4.55 43.29 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 115.754 1.062 . . . . 77.45 115.754 179.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -159.19 -150.25 0.23 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-N 118.227 1.014 . . . . 84.77 108.416 -178.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -111.83 27.56 9.54 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 112.387 0.514 . . . . 75.46 112.387 -176.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.1 t -69.83 -26.15 64.1 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 113.077 0.769 . . . . 83.04 113.077 -175.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -125.14 28.8 6.27 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 118.606 0.639 . . . . 70.11 111.712 -175.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -93.94 67.94 3.77 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 122.439 1.114 . . . . 78.33 109.262 177.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -77.83 150.84 34.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.235 -0.893 . . . . 72.12 110.766 -178.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ASP . . . . . 0.41 ' OD1' ' NH1' ' A' ' 86' ' ' ARG . 22.8 m-20 -68.74 141.27 55.3 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.503 -0.771 . . . . 72.14 110.304 177.794 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.4 p -142.17 140.59 29.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 109.045 -0.724 . . . . 47.12 109.045 -174.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -116.83 132.66 56.64 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 108.156 -1.053 . . . . 64.83 108.156 170.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.3 mp -125.22 133.98 52.52 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.592 -0.521 . . . . 48.17 109.592 -177.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 82.7 mt -124.02 119.38 56.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 N-CA-C 107.787 -1.19 . . . . 53.5 107.787 178.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.4 t -120.01 123.51 70.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 108.134 -1.061 . . . . 44.43 108.134 -176.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 59.5 mt -106.04 124.34 61.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 N-CA-C 107.842 -1.17 . . . . 46.2 107.842 178.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.2 t -108.88 122.99 64.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 N-CA-C 108.173 -1.047 . . . . 45.36 108.173 -177.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 86.4 t -128.34 120.7 53.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 108.066 -1.087 . . . . 36.63 108.066 179.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.3 t70 55.41 46.29 23.57 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.815 0.817 . . . . 70.17 111.281 177.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 72.54 1.78 53.58 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 115.975 1.15 . . . . 44.65 115.975 177.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -121.72 149.35 43.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 118.764 1.282 . . . . 59.07 109.868 179.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 65.8 mt -73.98 112.94 11.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 N-CA-C 107.963 -1.125 . . . . 44.16 107.963 178.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -93.64 -28.28 16.08 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 112.867 0.691 . . . . 42.35 112.867 -178.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -150.38 137.55 19.46 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 118.392 0.542 . . . . 81.95 109.978 -179.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.9 t -126.92 131.8 70.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 108.066 -1.087 . . . . 36.77 108.066 174.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -123.45 133.94 53.99 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.705 -0.85 . . . . 50.28 108.705 172.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 61.7 mt -130.88 124.7 56.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 108.097 -1.075 . . . . 41.4 108.097 -178.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 71.5 mt -122.56 122.06 65.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 N-CA-C 107.848 -1.167 . . . . 46.47 107.848 -178.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.7 mt -121.75 125.74 73.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 108.355 -0.98 . . . . 52.7 108.355 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ARG . . . . . 0.498 ' NH2' ' O ' ' A' ' 205' ' ' HOH . 25.0 mtm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.386 . . . . 89.13 110.375 174.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.608 0.242 . . . . 73.99 110.943 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -64.39 -39.73 94.43 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.374 -0.53 . . . . 70.11 111.133 177.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 36.9 tp -58.98 -43.98 91.51 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.625 -0.43 . . . . 57.72 111.167 -179.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -61.94 -49.43 76.17 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.497 -0.481 . . . . 79.03 111.014 178.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -63.78 -40.35 96.47 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.315 -0.554 . . . . 89.14 111.328 -179.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 32.6 mmt -62.39 -45.3 93.77 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.335 -0.546 . . . . 102.4 111.08 179.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 25.5 mmt -63.54 -36.51 84.01 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.168 -0.613 . . . . 60.86 111.132 178.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -70.5 -42.98 70.62 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.415 -0.514 . . . . 81.95 111.25 179.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.1 mt -58.58 -40.51 79.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 C-N-CA 120.479 -0.489 . . . . 66.65 110.136 176.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 16.6 t -57.55 -41.6 79.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 120.912 0.387 . . . . 63.43 110.793 178.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 30.7 mm -66.7 -35.99 76.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 120.416 -0.514 . . . . 60.29 110.595 -178.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -67.91 0.87 3.04 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 113.171 0.804 . . . . 78.9 113.171 -178.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -84.32 9.42 13.12 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 118.906 0.776 . . . . 83.63 112.436 168.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -72.93 -3.08 23.63 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 123.253 0.621 . . . . 75.9 112.447 163.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -148.86 67.14 1.05 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 122.597 1.189 . . . . 73.85 108.963 -167.517 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 37.7 p -131.21 27.55 4.8 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 121.25 -0.906 . . . . 70.92 111.124 176.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.42 -55.54 2.42 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.345 -0.455 . . . . 85.82 113.001 -179.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -122.39 163.41 19.83 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.417 0.627 . . . . 102.81 109.743 -179.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 80.0 m95 -87.28 26.4 1.22 Allowed 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.593 -0.73 . . . . 85.08 112.744 -179.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -71.34 -29.5 65.07 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.482 -0.487 . . . . 80.85 111.739 177.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.55 -34.29 31.2 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.581 -0.448 . . . . 73.55 112.004 -178.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -69.21 -34.04 74.25 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.008 -0.677 . . . . 74.95 111.464 174.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -65.98 -41.25 91.39 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.925 -0.31 . . . . 80.29 111.323 -177.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 26.2 pt-20 -73.69 -17.62 61.11 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.449 0.537 . . . . 77.99 112.449 -178.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 30.5 mtm -101.74 -18.84 15.62 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 113.641 0.978 . . . . 71.1 113.641 -179.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.72 135.18 40.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 118.392 0.542 . . . . 49.23 110.879 -175.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -57.57 140.67 80.01 Favored Pre-proline 0 C--O 1.236 0.362 0 N-CA-C 108.802 -0.814 . . . . 47.55 108.802 166.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -55.82 -27.1 60.65 Favored 'Trans proline' 0 C--O 1.237 0.454 0 CA-C-N 118.718 0.578 . . . . 49.48 113.243 178.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -103.68 34.13 3.11 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.039 0.536 . . . . 49.23 112.19 176.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -64.2 140.51 19.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 121.445 0.64 . . . . 42.38 109.776 -178.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -100.99 146.32 27.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.874 -0.603 . . . . 57.62 109.738 175.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -135.68 125.05 24.8 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.626 -0.879 . . . . 39.51 108.626 178.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -127.32 136.67 52.24 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.95 -0.389 . . . . 45.59 109.95 -179.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 61.1 t -130.35 114.29 28.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 106.967 -1.494 . . . . 40.87 106.967 173.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ASP . . . . . 0.456 ' OD1' ' ND1' ' B' ' 44' ' ' HIS . 72.6 m-20 -114.34 106.37 14.24 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 108.441 -0.948 . . . . 48.18 108.441 -177.195 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 24.3 t -122.48 87.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 106.513 -1.662 . . . . 51.22 106.513 179.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 61.8 -104.81 0.78 Allowed Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 116.361 -0.382 . . . . 61.38 113.469 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -87.14 -28.93 22.18 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 112.896 0.702 . . . . 69.52 112.896 179.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -82.68 120.42 25.55 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.758 -0.46 . . . . 86.3 109.758 -177.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' HIS . . . . . 0.456 ' ND1' ' OD1' ' B' ' 39' ' ' ASP . 89.7 m-70 -121.44 113.45 19.87 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.315 -0.994 . . . . 55.16 108.315 178.306 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 64.8 mt -98.73 132.86 43.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 N-CA-C 108.373 -0.973 . . . . 51.39 108.373 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -135.85 120.47 18.28 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.661 -0.866 . . . . 63.85 108.661 -178.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 20.6 mmt85 -132.22 135.9 46.63 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 108.983 -0.747 . . . . 74.63 108.983 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -131.1 129.31 41.72 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.155 -0.683 . . . . 49.59 109.155 -180.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 115.79 134.67 5.56 Favored Glycine 0 N--CA 1.462 0.432 0 N-CA-C 108.866 -1.694 . . . . 41.25 108.866 -177.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -58.7 -38.5 78.39 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.587 -0.445 . . . . 68.59 111.416 -175.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -71.22 -44.12 65.99 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.224 -0.59 . . . . 69.75 111.182 -179.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -67.89 -28.74 67.77 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.237 -0.585 . . . . 58.52 111.919 -178.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.8 t -73.91 -41.7 53.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 C-N-CA 120.258 -0.577 . . . . 53.52 110.745 -178.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 71.5 t -63.22 -40.31 88.57 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 O-C-N 121.877 -0.514 . . . . 65.34 110.655 -178.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -66.71 -26.18 66.89 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 119.873 -0.731 . . . . 79.9 111.502 178.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -73.88 -38.17 64.49 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 119.979 -0.688 . . . . 68.82 110.86 174.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.61 -37.43 86.57 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.731 -0.387 . . . . 81.05 111.313 177.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 80.4 mt -62.51 -44.78 99.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.098 0.475 . . . . 79.16 110.412 177.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 58.8 ttt85 -74.26 -28.49 61.24 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 121.921 -0.487 . . . . 114.79 111.835 -178.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.9 tp -92.59 -61.28 1.63 Allowed 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.287 0.477 . . . . 87.75 112.287 -172.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -67.22 -31.11 71.25 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 112.226 0.454 . . . . 92.75 112.226 -169.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.18 -58.98 3.84 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.487 -0.485 . . . . 96.04 111.352 -174.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -69.68 -23.67 63.48 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.231 -0.588 . . . . 90.75 112.4 -177.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -65.05 123.8 20.43 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 118.246 0.476 . . . . 83.38 109.928 174.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -103.21 96.73 6.97 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.226 -1.027 . . . . 103.31 108.226 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 19.8 m -95.67 141.56 15.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 109.001 -0.74 . . . . 70.81 109.001 -178.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -152.03 150.93 30.5 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.493 -0.928 . . . . 93.38 108.493 -179.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 51.9 t30 53.3 63.45 2.22 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 122.212 1.006 . . . . 64.32 110.991 179.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 58.5 mt -82.61 121.23 35.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 114.952 -1.022 . . . . 50.31 108.69 179.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' ARG . . . . . 0.42 ' NH2' ' OD2' ' B' ' 97' ' ' ASP . 24.3 mtm180 -117.33 134.35 54.92 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 108.971 -0.752 . . . . 56.8 108.971 -178.306 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 40.7 mm -102.69 121.09 53.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 108.397 -0.964 . . . . 41.08 108.397 -178.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -102.2 -28.97 11.98 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 113.655 0.983 . . . . 49.37 113.655 -177.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -157.36 139.42 14.37 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 118.642 0.655 . . . . 62.04 109.333 -175.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 76.3 mt -134.89 127.51 48.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 107.865 -1.161 . . . . 45.3 107.865 174.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -135.65 131.15 35.39 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.513 -0.551 . . . . 55.66 109.513 -179.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -110.7 112.3 24.08 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 107.744 -1.206 . . . . 51.18 107.744 177.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 11.7 mt -122.86 81.34 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 109.344 -0.613 . . . . 46.1 109.344 -178.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.94 -114.98 5.3 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.019 -0.61 . . . . 40.03 112.816 -179.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -91.44 1.21 57.29 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 113.166 0.802 . . . . 57.28 113.166 -179.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -115.23 134.58 55.01 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 118.399 0.545 . . . . 51.17 109.866 -176.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 38.7 tp -115.72 128.93 56.25 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 108.673 -0.862 . . . . 48.85 108.673 173.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 97.2 t -118.56 121.81 67.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 108.08 -1.081 . . . . 42.24 108.08 -178.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 59.8 t -121.67 127.91 75.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 108.171 -1.048 . . . . 41.54 108.171 178.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -118.42 134.58 54.94 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.971 -0.751 . . . . 63.52 108.971 177.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' GLY . . . . . . . . . . . . . . . -161.1 -159.49 10.04 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.349 -0.929 . . . . 38.71 113.108 -176.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' ARG . . . . . 0.482 ' NH1' ' OD1' ' B' ' 99' ' ' ASP . 60.3 ttt85 -155.8 131.53 9.77 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 108.77 -0.826 . . . . 58.46 108.77 -174.393 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -132.44 169.39 16.61 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.621 0.724 . . . . 55.51 109.646 178.887 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -111.06 109.15 19.12 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 108.141 -1.059 . . . . 75.4 108.141 178.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 8.8 t -98.3 155.23 17.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.154 0.502 . . . . 49.32 109.803 177.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 23.7 m -144.86 147.33 32.69 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.372 0.606 . . . . 55.76 110.513 -173.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -129.3 103.91 7.21 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 105.952 -1.87 . . . . 50.86 105.952 166.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 67.42 -130.49 29.09 Favored Glycine 0 C--O 1.236 0.221 0 C-N-CA 119.674 -1.25 . . . . 58.35 110.355 -174.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -78.97 -37.77 38.64 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.551 -0.46 . . . . 72.45 111.821 178.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -64.05 141.59 58.72 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.246 0.546 . . . . 69.75 110.547 -178.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 36.3 t -156.41 155.78 32.71 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.117 -0.697 . . . . 64.27 109.117 -175.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -160.73 157.38 26.86 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.35 -0.841 . . . . 58.8 108.88 177.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' ASP . . . . . 0.42 ' OD2' ' NH2' ' B' ' 70' ' ' ARG . 4.0 m-20 -98.47 148.23 23.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.297 -0.865 . . . . 72.03 109.937 176.785 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -148.85 151.22 34.36 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.742 -0.663 . . . . 55.27 109.349 -177.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' ASP . . . . . 0.482 ' OD1' ' NH1' ' B' ' 86' ' ' ARG . 74.2 m-20 -83.79 136.34 34.18 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.561 -0.745 . . . . 70.32 110.289 179.119 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 12.1 p -128.82 147.18 33.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 N-CA-C 108.791 -0.818 . . . . 41.6 108.791 -174.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -130.57 121.55 25.89 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.586 -0.894 . . . . 57.52 108.586 176.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 65.7 tp -106.75 126.63 52.53 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.431 -0.581 . . . . 42.86 109.431 179.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 36.1 mt -126.93 125.51 66.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 108.131 -1.063 . . . . 42.19 108.131 179.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 54.6 t -135.01 126.14 46.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 108.546 -0.909 . . . . 41.18 108.546 -179.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 65.4 mt -113.48 126.33 70.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 108.162 -1.051 . . . . 36.23 108.162 179.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 77.2 t -114.15 116.97 54.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 N-CA-C 108.163 -1.051 . . . . 49.19 108.163 -178.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 90.1 t -107.96 113.45 43.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 107.785 -1.191 . . . . 42.98 107.785 -179.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 39.4 t0 57.08 46.23 19.52 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.609 0.719 . . . . 67.36 111.371 177.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.69 0.88 82.04 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 115.801 1.08 . . . . 51.56 115.801 176.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -117.98 143.1 46.67 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 118.721 1.261 . . . . 58.79 109.983 -179.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 59.9 mt -73.32 118.87 19.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 N-CA-C 108.809 -0.811 . . . . 45.24 108.809 179.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -103.4 -32.79 9.35 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 113.544 0.942 . . . . 39.54 113.544 -178.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -145.29 132.75 20.75 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 118.491 0.587 . . . . 44.66 109.503 -177.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 86.0 t -128.8 119.35 49.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 107.474 -1.306 . . . . 37.82 107.474 172.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -126.58 131.28 51.55 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.562 -0.533 . . . . 41.78 109.562 179.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 57.4 mt -117.63 119.86 62.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 107.657 -1.238 . . . . 40.93 107.657 176.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 40.5 mt -113.6 125.9 70.96 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 N-CA-C 108.367 -0.975 . . . . 43.05 108.367 -179.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 60.8 mt -121.87 116.61 49.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 N-CA-C 107.779 -1.193 . . . . 46.8 107.779 178.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.389 -0.369 . . . . 58.96 111.768 -179.294 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . 0.611 ' O ' ' NH1' ' A' ' 65' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . 0.403 ' O ' ' ND1' ' A' ' 72' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . 0.5 ' O ' ' NZ ' ' A' ' 80' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . 0.498 ' O ' ' NH2' ' A' ' 119' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.468 ' O ' ' N ' ' A' ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' 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 build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 CA-C-O 120.748 0.082 . . . . 66.94 113.025 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.8 -24.64 64.43 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 112.369 0.507 . . . . 84.03 112.369 179.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -74.18 -52.65 11.82 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 118.035 0.38 . . . . 80.35 111.608 -177.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -64.89 -37.13 86.6 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.992 -0.683 . . . . 62.5 111.161 -177.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -57.89 -46.61 84.64 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.707 -0.397 . . . . 77.31 110.953 176.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . 0.734 ' NZ ' ' OD2' ' A' ' 9' ' ' ASP . 22.1 tptp -58.98 -37.87 77.82 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.85 -0.34 . . . . 54.25 111.185 176.92 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' HIS . . . . . 0.514 ' NE2' ' HG3' ' B' ' 12' ' ' GLU . 2.8 t60 -72.44 -37.95 68.44 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.128 -0.629 . . . . 74.68 111.343 -179.202 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.3 mp -59.55 -38.06 80.07 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.557 -0.457 . . . . 47.43 110.996 173.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ARG . . . . . 0.511 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 4.0 mtp180 -68.55 -41.63 79.51 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.63 -0.428 . . . . 68.84 111.27 179.14 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASP . . . . . 0.734 ' OD2' ' NZ ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -58.06 -47.53 82.87 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.787 -0.365 . . . . 61.88 111.207 178.609 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 72.0 mmm -61.22 -41.9 97.66 Favored 'General case' 0 C--O 1.237 0.416 0 O-C-N 122.144 -0.348 . . . . 85.43 111.554 -179.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 55.3 mtp -63.37 -30.09 71.28 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.242 -0.583 . . . . 66.58 111.748 178.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 36.6 mm-40 -67.65 -44.81 77.02 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 119.937 -0.705 . . . . 72.81 110.803 174.757 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 9' ' ' ASP . 20.1 mm -62.06 -43.36 97.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-O 120.939 0.4 . . . . 53.11 110.737 -175.487 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.9 m -69.39 -33.32 56.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 C-N-CA 120.114 -0.634 . . . . 60.2 110.977 -175.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ILE . . . . . 0.407 HG12 ' HE3' ' A' ' 19' ' ' MET . 2.0 mt -73.54 -44.29 53.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 C-N-CA 119.856 -0.738 . . . . 57.92 110.555 -178.455 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 12.1 mmmm -75.13 -52.57 10.65 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 121.866 -0.521 . . . . 72.98 111.735 -175.66 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . 0.671 ' HB3' HD11 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -110.45 9.5 23.32 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 113.486 0.921 . . . . 66.0 113.486 -165.995 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 18' ' ' PHE . . . . . 0.472 ' HB2' ' SD ' ' B' ' 19' ' ' MET . 3.1 t80 -132.89 -78.73 0.49 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-N 118.517 0.599 . . . . 71.75 110.434 178.286 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' MET . . . . . 0.407 ' HE3' HG12 ' A' ' 15' ' ' ILE . 19.9 ttm -48.1 92.59 0.01 OUTLIER 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.014 0.526 . . . . 84.46 110.477 179.087 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' THR . . . . . 0.541 ' OG1' ' N ' ' A' ' 21' ' ' GLY . 2.6 t 28.26 -135.12 0.01 OUTLIER 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.581 1.552 . . . . 98.34 111.156 -165.022 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLY . . . . . 0.541 ' N ' ' OG1' ' A' ' 20' ' ' THR . . . -82.62 -59.11 2.28 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 109.36 -1.496 . . . . 96.0 109.36 168.411 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 t0 50.97 28.62 3.92 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 123.368 0.667 . . . . 82.04 111.551 -178.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -71.81 -9.51 58.41 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.289 0.478 . . . . 67.54 112.289 175.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.72 -28.78 68.7 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.447 -0.501 . . . . 80.53 111.06 167.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . 0.445 ' O ' ' HG2' ' A' ' 28' ' ' GLU . . . -79.02 6.39 9.5 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.958 0.725 . . . . 61.12 112.958 177.4 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -63.89 -25.23 68.06 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 118.126 0.421 . . . . 54.21 112.069 175.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -71.33 -36.6 71.62 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.821 -0.352 . . . . 68.77 111.429 -177.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 21.8 pt-20 -76.95 -16.73 59.26 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 112.859 0.689 . . . . 94.74 112.859 -176.856 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 30.8 mtm -107.46 -3.69 19.23 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 113.015 0.746 . . . . 69.37 113.015 179.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.02 133.91 34.23 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 118.417 0.553 . . . . 49.8 110.484 -178.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.66 144.17 89.64 Favored Pre-proline 0 C--O 1.235 0.306 0 N-CA-C 109.36 -0.607 . . . . 54.55 109.36 171.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -53.54 -29.65 50.86 Favored 'Trans proline' 0 C--O 1.239 0.531 0 N-CA-C 113.654 0.598 . . . . 51.02 113.654 176.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -109.48 39.35 2.11 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 123.448 0.699 . . . . 49.67 111.214 178.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.46 140.07 20.12 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 CA-C-O 121.288 0.566 . . . . 41.44 109.789 -179.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -103.65 148.48 25.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.262 0.553 . . . . 51.48 110.17 175.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -144.01 122.37 12.34 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 108.486 -0.931 . . . . 48.36 108.486 -176.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -129.41 129.01 44.15 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.402 -0.592 . . . . 66.78 109.402 174.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.2 t -110.71 133.84 54.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 108.203 -1.036 . . . . 44.02 108.203 -179.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -116.46 98.47 6.58 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.646 -1.242 . . . . 57.7 107.646 177.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.6 t -114.98 92.8 2.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 106.527 -1.656 . . . . 52.3 106.527 177.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.84 -123.39 18.67 Favored Glycine 0 C--O 1.238 0.393 0 N-CA-C 110.436 -1.066 . . . . 54.45 110.436 -179.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -95.72 -1.18 50.48 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 112.824 0.676 . . . . 66.15 112.824 178.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -90.55 130.1 36.63 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 108.996 -0.742 . . . . 96.99 108.996 174.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -129.86 116.13 18.24 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 108.876 -0.787 . . . . 64.12 108.876 -177.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 53.2 mt -106.34 142.91 18.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 108.561 -0.903 . . . . 50.22 108.561 -175.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -136.19 123.29 21.61 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 108.725 -0.842 . . . . 60.38 108.725 177.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -126.87 153.53 45.59 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.488 -0.56 . . . . 77.78 109.488 178.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -139.79 146.6 39.65 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.669 -0.696 . . . . 51.63 109.601 178.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.79 145.47 19.0 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.565 -0.743 . . . . 42.74 111.748 -176.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -63.44 -37.97 89.35 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 117.67 0.735 . . . . 69.43 111.582 -173.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -74.89 -39.65 61.37 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.372 -0.531 . . . . 71.15 111.915 -176.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.54 -37.88 89.08 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.273 -0.571 . . . . 91.36 111.321 176.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.3 t -71.7 -46.6 61.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 120.936 0.398 . . . . 48.64 110.588 -176.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.8 t -61.81 -43.61 97.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 O-C-N 121.985 -0.447 . . . . 47.74 110.69 -176.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -62.79 -40.24 96.71 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.21 -0.596 . . . . 91.01 111.31 178.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -71.58 -43.92 65.43 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.141 -0.623 . . . . 63.14 111.195 -179.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.33 -38.58 87.39 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.475 -0.49 . . . . 52.02 111.275 178.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 35.0 mt -63.84 -41.35 92.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 120.869 0.366 . . . . 53.79 110.542 179.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -64.06 -39.11 93.34 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.954 -0.699 . . . . 75.5 111.151 176.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 23.6 tp -60.33 -44.83 95.14 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.783 -0.367 . . . . 58.27 110.989 178.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.5 mt -69.78 -30.15 67.64 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.638 -0.425 . . . . 53.29 111.727 179.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -68.51 -33.96 75.05 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.441 -0.504 . . . . 68.02 111.734 178.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -70.74 -30.01 66.42 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.21 -0.596 . . . . 49.31 111.753 -177.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 10.8 m-90 -103.29 -2.32 27.33 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 112.924 0.712 . . . . 50.71 112.924 177.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 54.47 49.96 17.16 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.897 0.856 . . . . 52.61 110.754 -178.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.7 t -74.7 129.04 36.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 115.395 -0.82 . . . . 54.01 110.02 -171.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -98.27 -48.6 5.01 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.083 -0.508 . . . . 75.11 111.894 168.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -153.58 -165.61 2.19 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 107.898 -1.149 . . . . 72.16 107.898 175.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 80.1 mt -127.48 111.49 25.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 N-CA-C 108.004 -1.11 . . . . 67.47 108.004 -177.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.0 tpp85 -67.45 105.29 1.77 Allowed 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.854 -0.795 . . . . 80.78 108.854 173.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ILE . . . . . 0.671 HD11 ' HB3' ' A' ' 17' ' ' LEU . 86.7 mt -83.31 133.02 30.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 N-CA-C 109.902 -0.407 . . . . 67.68 109.902 -168.51 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' HIS . . . . . 0.403 ' ND1' ' O ' ' A' ' 202' ' ' HOH . 52.5 m170 -99.96 -42.33 6.82 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 112.719 0.636 . . . . 67.57 112.719 173.731 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -154.97 150.38 27.3 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.088 -0.708 . . . . 74.51 109.088 177.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ILE . . . . . 0.612 HD11 HD13 ' A' ' 71' ' ' ILE . 10.6 mt -140.07 136.33 37.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 108.703 -0.851 . . . . 56.33 108.703 -179.911 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -126.76 134.24 50.66 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 108.993 -0.743 . . . . 66.53 108.993 174.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . 0.458 HD22 ' NZ ' ' B' ' 16' ' ' LYS . 1.8 tp -107.72 110.85 22.78 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.94 -1.133 . . . . 55.31 107.94 177.884 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.3 mt -119.16 84.71 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 108.958 -0.756 . . . . 48.11 108.958 -176.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.14 -103.6 0.96 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.105 -0.569 . . . . 51.5 112.818 -178.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.9 p-10 -106.83 15.36 25.61 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.289 0.478 . . . . 57.6 112.289 -178.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -120.64 131.0 54.38 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.859 0.464 . . . . 52.52 109.841 -174.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.2 tp -101.77 130.69 48.25 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.954 -0.758 . . . . 56.4 108.954 171.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.83 119.73 58.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 N-CA-C 107.847 -1.168 . . . . 42.71 107.847 177.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' VAL . . . . . 0.579 HG22 HG12 ' A' ' 74' ' ' ILE . 92.3 t -123.69 131.61 72.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 108.695 -0.854 . . . . 41.29 108.695 -177.515 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -117.01 125.83 51.97 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 107.876 -1.157 . . . . 80.13 107.876 167.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -160.97 -154.84 7.56 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.941 -0.647 . . . . 52.44 114.383 -175.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.8 ttt85 -148.41 142.03 25.5 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 107.943 -1.132 . . . . 89.1 107.943 -174.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -63.39 140.76 58.91 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 120.282 -0.567 . . . . 63.46 111.125 -174.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -104.15 93.18 4.7 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 106.285 -1.746 . . . . 77.23 106.285 168.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.0 p -94.12 168.17 11.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.992 0.901 . . . . 62.44 110.909 -174.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 91.8 p -92.69 3.9 54.72 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.258 -0.883 . . . . 67.74 112.763 176.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -65.11 162.69 16.41 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.9 0.857 . . . . 74.63 110.535 177.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -75.67 4.55 43.29 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 115.754 1.062 . . . . 77.45 115.754 179.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -159.19 -150.25 0.23 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-N 118.227 1.014 . . . . 84.77 108.416 -178.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -111.83 27.56 9.54 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 112.387 0.514 . . . . 75.46 112.387 -176.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.1 t -69.83 -26.15 64.1 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 113.077 0.769 . . . . 83.04 113.077 -175.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -125.14 28.8 6.27 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 118.606 0.639 . . . . 70.11 111.712 -175.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -93.94 67.94 3.77 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 122.439 1.114 . . . . 78.33 109.262 177.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -77.83 150.84 34.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.235 -0.893 . . . . 72.12 110.766 -178.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -68.74 141.27 55.3 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.503 -0.771 . . . . 72.14 110.304 177.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.4 p -142.17 140.59 29.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 109.045 -0.724 . . . . 47.12 109.045 -174.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -116.83 132.66 56.64 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 108.156 -1.053 . . . . 64.83 108.156 170.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.3 mp -125.22 133.98 52.52 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.592 -0.521 . . . . 48.17 109.592 -177.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 82.7 mt -124.02 119.38 56.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 N-CA-C 107.787 -1.19 . . . . 53.5 107.787 178.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.4 t -120.01 123.51 70.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 108.134 -1.061 . . . . 44.43 108.134 -176.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 59.5 mt -106.04 124.34 61.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 N-CA-C 107.842 -1.17 . . . . 46.2 107.842 178.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.2 t -108.88 122.99 64.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 N-CA-C 108.173 -1.047 . . . . 45.36 108.173 -177.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 86.4 t -128.34 120.7 53.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 108.066 -1.087 . . . . 36.63 108.066 179.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.3 t70 55.41 46.29 23.57 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.815 0.817 . . . . 70.17 111.281 177.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 72.54 1.78 53.58 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 115.975 1.15 . . . . 44.65 115.975 177.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -121.72 149.35 43.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 118.764 1.282 . . . . 59.07 109.868 179.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 65.8 mt -73.98 112.94 11.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 N-CA-C 107.963 -1.125 . . . . 44.16 107.963 178.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -93.64 -28.28 16.08 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 112.867 0.691 . . . . 42.35 112.867 -178.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -150.38 137.55 19.46 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 118.392 0.542 . . . . 81.95 109.978 -179.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.9 t -126.92 131.8 70.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 108.066 -1.087 . . . . 36.77 108.066 174.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -123.45 133.94 53.99 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.705 -0.85 . . . . 50.28 108.705 172.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 61.7 mt -130.88 124.7 56.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 108.097 -1.075 . . . . 41.4 108.097 -178.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 71.5 mt -122.56 122.06 65.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 N-CA-C 107.848 -1.167 . . . . 46.47 107.848 -178.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.7 mt -121.75 125.74 73.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 108.355 -0.98 . . . . 52.7 108.355 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ARG . . . . . 0.429 ' NH2' ' O ' ' A' ' 205' ' ' HOH . 25.0 mtm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.386 . . . . 89.13 110.375 174.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.608 0.242 . . . . 73.99 110.943 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -64.39 -39.73 94.43 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.374 -0.53 . . . . 70.11 111.133 177.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 36.9 tp -58.98 -43.98 91.51 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.625 -0.43 . . . . 57.72 111.167 -179.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -61.94 -49.43 76.17 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.497 -0.481 . . . . 79.03 111.014 178.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -63.78 -40.35 96.47 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.315 -0.554 . . . . 89.14 111.328 -179.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 32.6 mmt -62.39 -45.3 93.77 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.335 -0.546 . . . . 102.4 111.08 179.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' MET . . . . . 0.427 ' O ' HG12 ' B' ' 15' ' ' ILE . 25.5 mmt -63.54 -36.51 84.01 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.168 -0.613 . . . . 60.86 111.132 178.492 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' GLU . . . . . 0.514 ' HG3' ' NE2' ' A' ' 6' ' ' HIS . 41.5 mm-40 -70.5 -42.98 70.62 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.415 -0.514 . . . . 81.95 111.25 179.018 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ILE . . . . . 0.444 ' O ' HD22 ' B' ' 17' ' ' LEU . 69.1 mt -58.58 -40.51 79.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 C-N-CA 120.479 -0.489 . . . . 66.65 110.136 176.114 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 16.6 t -57.55 -41.6 79.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 120.912 0.387 . . . . 63.43 110.793 178.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ILE . . . . . 0.427 HG12 ' O ' ' B' ' 11' ' ' MET . 30.7 mm -66.7 -35.99 76.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 120.416 -0.514 . . . . 60.29 110.595 -178.753 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LYS . . . . . 0.458 ' NZ ' HD22 ' A' ' 76' ' ' LEU . 37.6 mtmm -67.91 0.87 3.04 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 113.171 0.804 . . . . 78.9 113.171 -178.013 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . 0.501 HD12 HG21 ' B' ' 20' ' ' THR . 1.1 mm? -84.32 9.42 13.12 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 118.906 0.776 . . . . 83.63 112.436 168.978 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -72.93 -3.08 23.63 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 123.253 0.621 . . . . 75.9 112.447 163.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' MET . . . . . 0.472 ' SD ' ' HB2' ' A' ' 18' ' ' PHE . 0.7 OUTLIER -148.86 67.14 1.05 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 122.597 1.189 . . . . 73.85 108.963 -167.517 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 20' ' ' THR . . . . . 0.501 HG21 HD12 ' B' ' 17' ' ' LEU . 37.7 p -131.21 27.55 4.8 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 121.25 -0.906 . . . . 70.92 111.124 176.552 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.42 -55.54 2.42 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.345 -0.455 . . . . 85.82 113.001 -179.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -122.39 163.41 19.83 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.417 0.627 . . . . 102.81 109.743 -179.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' TRP . . . . . 0.405 ' CZ2' ' HB3' ' B' ' 57' ' ' LEU . 80.0 m95 -87.28 26.4 1.22 Allowed 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.593 -0.73 . . . . 85.08 112.744 -179.811 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -71.34 -29.5 65.07 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.482 -0.487 . . . . 80.85 111.739 177.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.55 -34.29 31.2 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.581 -0.448 . . . . 73.55 112.004 -178.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -69.21 -34.04 74.25 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.008 -0.677 . . . . 74.95 111.464 174.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -65.98 -41.25 91.39 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.925 -0.31 . . . . 80.29 111.323 -177.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 26.2 pt-20 -73.69 -17.62 61.11 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.449 0.537 . . . . 77.99 112.449 -178.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 30.5 mtm -101.74 -18.84 15.62 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 113.641 0.978 . . . . 71.1 113.641 -179.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ALA . . . . . 0.455 ' HB3' ' HG3' ' B' ' 50' ' ' ARG . . . -75.72 135.18 40.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 118.392 0.542 . . . . 49.23 110.879 -175.58 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -57.57 140.67 80.01 Favored Pre-proline 0 C--O 1.236 0.362 0 N-CA-C 108.802 -0.814 . . . . 47.55 108.802 166.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -55.82 -27.1 60.65 Favored 'Trans proline' 0 C--O 1.237 0.454 0 CA-C-N 118.718 0.578 . . . . 49.48 113.243 178.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -103.68 34.13 3.11 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.039 0.536 . . . . 49.23 112.19 176.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -64.2 140.51 19.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 121.445 0.64 . . . . 42.38 109.776 -178.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -100.99 146.32 27.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.874 -0.603 . . . . 57.62 109.738 175.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -135.68 125.05 24.8 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.626 -0.879 . . . . 39.51 108.626 178.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLN . . . . . 0.447 ' HB2' ' HG3' ' B' ' 115' ' ' ARG . 30.4 mt-30 -127.32 136.67 52.24 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.95 -0.389 . . . . 45.59 109.95 -179.954 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 61.1 t -130.35 114.29 28.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 106.967 -1.494 . . . . 40.87 106.967 173.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -114.34 106.37 14.24 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 108.441 -0.948 . . . . 48.18 108.441 -177.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 24.3 t -122.48 87.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 106.513 -1.662 . . . . 51.22 106.513 179.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 61.8 -104.81 0.78 Allowed Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 116.361 -0.382 . . . . 61.38 113.469 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -87.14 -28.93 22.18 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 112.896 0.702 . . . . 69.52 112.896 179.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -82.68 120.42 25.55 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.758 -0.46 . . . . 86.3 109.758 -177.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -121.44 113.45 19.87 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.315 -0.994 . . . . 55.16 108.315 178.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 64.8 mt -98.73 132.86 43.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 N-CA-C 108.373 -0.973 . . . . 51.39 108.373 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -135.85 120.47 18.28 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.661 -0.866 . . . . 63.85 108.661 -178.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 20.6 mmt85 -132.22 135.9 46.63 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 108.983 -0.747 . . . . 74.63 108.983 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -131.1 129.31 41.72 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.155 -0.683 . . . . 49.59 109.155 -180.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 115.79 134.67 5.56 Favored Glycine 0 N--CA 1.462 0.432 0 N-CA-C 108.866 -1.694 . . . . 41.25 108.866 -177.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ARG . . . . . 0.455 ' HG3' ' HB3' ' B' ' 30' ' ' ALA . 14.8 ttm180 -58.7 -38.5 78.39 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.587 -0.445 . . . . 68.59 111.416 -175.634 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -71.22 -44.12 65.99 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.224 -0.59 . . . . 69.75 111.182 -179.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -67.89 -28.74 67.77 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.237 -0.585 . . . . 58.52 111.919 -178.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.8 t -73.91 -41.7 53.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 C-N-CA 120.258 -0.577 . . . . 53.52 110.745 -178.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 71.5 t -63.22 -40.31 88.57 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 O-C-N 121.877 -0.514 . . . . 65.34 110.655 -178.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -66.71 -26.18 66.89 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 119.873 -0.731 . . . . 79.9 111.502 178.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -73.88 -38.17 64.49 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 119.979 -0.688 . . . . 68.82 110.86 174.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' LEU . . . . . 0.405 ' HB3' ' CZ2' ' B' ' 23' ' ' TRP . 88.4 mt -65.61 -37.43 86.57 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.731 -0.387 . . . . 81.05 111.313 177.886 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 80.4 mt -62.51 -44.78 99.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.098 0.475 . . . . 79.16 110.412 177.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 58.8 ttt85 -74.26 -28.49 61.24 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 121.921 -0.487 . . . . 114.79 111.835 -178.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.9 tp -92.59 -61.28 1.63 Allowed 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.287 0.477 . . . . 87.75 112.287 -172.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -67.22 -31.11 71.25 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 112.226 0.454 . . . . 92.75 112.226 -169.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.18 -58.98 3.84 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.487 -0.485 . . . . 96.04 111.352 -174.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -69.68 -23.67 63.48 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.231 -0.588 . . . . 90.75 112.4 -177.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -65.05 123.8 20.43 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 118.246 0.476 . . . . 83.38 109.928 174.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -103.21 96.73 6.97 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.226 -1.027 . . . . 103.31 108.226 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 19.8 m -95.67 141.56 15.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 109.001 -0.74 . . . . 70.81 109.001 -178.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -152.03 150.93 30.5 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.493 -0.928 . . . . 93.38 108.493 -179.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 51.9 t30 53.3 63.45 2.22 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 122.212 1.006 . . . . 64.32 110.991 179.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 58.5 mt -82.61 121.23 35.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 114.952 -1.022 . . . . 50.31 108.69 179.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -117.33 134.35 54.92 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 108.971 -0.752 . . . . 56.8 108.971 -178.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 40.7 mm -102.69 121.09 53.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 108.397 -0.964 . . . . 41.08 108.397 -178.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -102.2 -28.97 11.98 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 113.655 0.983 . . . . 49.37 113.655 -177.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -157.36 139.42 14.37 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 118.642 0.655 . . . . 62.04 109.333 -175.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 76.3 mt -134.89 127.51 48.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 107.865 -1.161 . . . . 45.3 107.865 174.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -135.65 131.15 35.39 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.513 -0.551 . . . . 55.66 109.513 -179.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -110.7 112.3 24.08 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 107.744 -1.206 . . . . 51.18 107.744 177.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 11.7 mt -122.86 81.34 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 109.344 -0.613 . . . . 46.1 109.344 -178.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.94 -114.98 5.3 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.019 -0.61 . . . . 40.03 112.816 -179.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -91.44 1.21 57.29 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 113.166 0.802 . . . . 57.28 113.166 -179.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -115.23 134.58 55.01 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 118.399 0.545 . . . . 51.17 109.866 -176.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 38.7 tp -115.72 128.93 56.25 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 108.673 -0.862 . . . . 48.85 108.673 173.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 97.2 t -118.56 121.81 67.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 108.08 -1.081 . . . . 42.24 108.08 -178.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 59.8 t -121.67 127.91 75.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 108.171 -1.048 . . . . 41.54 108.171 178.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -118.42 134.58 54.94 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.971 -0.751 . . . . 63.52 108.971 177.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' GLY . . . . . . . . . . . . . . . -161.1 -159.49 10.04 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.349 -0.929 . . . . 38.71 113.108 -176.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' ARG . . . . . 0.46 ' NH1' ' OD1' ' B' ' 99' ' ' ASP . 60.3 ttt85 -155.8 131.53 9.77 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 108.77 -0.826 . . . . 58.46 108.77 -174.393 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 87' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -132.44 169.39 16.61 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.621 0.724 . . . . 55.51 109.646 178.887 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -111.06 109.15 19.12 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 108.141 -1.059 . . . . 75.4 108.141 178.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 8.8 t -98.3 155.23 17.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.154 0.502 . . . . 49.32 109.803 177.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 23.7 m -144.86 147.33 32.69 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.372 0.606 . . . . 55.76 110.513 -173.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -129.3 103.91 7.21 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 105.952 -1.87 . . . . 50.86 105.952 166.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 67.42 -130.49 29.09 Favored Glycine 0 C--O 1.236 0.221 0 C-N-CA 119.674 -1.25 . . . . 58.35 110.355 -174.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -78.97 -37.77 38.64 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.551 -0.46 . . . . 72.45 111.821 178.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -64.05 141.59 58.72 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.246 0.546 . . . . 69.75 110.547 -178.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 36.3 t -156.41 155.78 32.71 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.117 -0.697 . . . . 64.27 109.117 -175.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -160.73 157.38 26.86 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.35 -0.841 . . . . 58.8 108.88 177.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -98.47 148.23 23.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.297 -0.865 . . . . 72.03 109.937 176.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -148.85 151.22 34.36 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.742 -0.663 . . . . 55.27 109.349 -177.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' ASP . . . . . 0.46 ' OD1' ' NH1' ' B' ' 86' ' ' ARG . 74.2 m-20 -83.79 136.34 34.18 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.561 -0.745 . . . . 70.32 110.289 179.119 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 12.1 p -128.82 147.18 33.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 N-CA-C 108.791 -0.818 . . . . 41.6 108.791 -174.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -130.57 121.55 25.89 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.586 -0.894 . . . . 57.52 108.586 176.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 65.7 tp -106.75 126.63 52.53 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.431 -0.581 . . . . 42.86 109.431 179.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 36.1 mt -126.93 125.51 66.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 108.131 -1.063 . . . . 42.19 108.131 179.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 54.6 t -135.01 126.14 46.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 108.546 -0.909 . . . . 41.18 108.546 -179.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 65.4 mt -113.48 126.33 70.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 108.162 -1.051 . . . . 36.23 108.162 179.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 77.2 t -114.15 116.97 54.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 N-CA-C 108.163 -1.051 . . . . 49.19 108.163 -178.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 90.1 t -107.96 113.45 43.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 107.785 -1.191 . . . . 42.98 107.785 -179.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 39.4 t0 57.08 46.23 19.52 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.609 0.719 . . . . 67.36 111.371 177.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.69 0.88 82.04 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 115.801 1.08 . . . . 51.56 115.801 176.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -117.98 143.1 46.67 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 118.721 1.261 . . . . 58.79 109.983 -179.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 59.9 mt -73.32 118.87 19.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 N-CA-C 108.809 -0.811 . . . . 45.24 108.809 179.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -103.4 -32.79 9.35 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 113.544 0.942 . . . . 39.54 113.544 -178.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -145.29 132.75 20.75 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 118.491 0.587 . . . . 44.66 109.503 -177.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 86.0 t -128.8 119.35 49.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 107.474 -1.306 . . . . 37.82 107.474 172.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' ARG . . . . . 0.447 ' HG3' ' HB2' ' B' ' 37' ' ' GLN . 74.4 ttt180 -126.58 131.28 51.55 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.562 -0.533 . . . . 41.78 109.562 179.528 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 57.4 mt -117.63 119.86 62.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 107.657 -1.238 . . . . 40.93 107.657 176.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 40.5 mt -113.6 125.9 70.96 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 N-CA-C 108.367 -0.975 . . . . 43.05 108.367 -179.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 60.8 mt -121.87 116.61 49.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 N-CA-C 107.779 -1.193 . . . . 46.8 107.779 178.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.389 -0.369 . . . . 58.96 111.768 -179.294 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . 0.403 ' O ' ' ND1' ' A' ' 72' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . 0.429 ' O ' ' NH2' ' A' ' 119' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' 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 nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 CA-C-O 120.748 0.082 . . . . 66.94 113.025 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.8 -24.64 64.43 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 112.369 0.507 . . . . 84.03 112.369 179.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -74.18 -52.65 11.82 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 118.035 0.38 . . . . 80.35 111.608 -177.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -64.89 -37.13 86.6 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.992 -0.683 . . . . 62.5 111.161 -177.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -57.89 -46.61 84.64 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.707 -0.397 . . . . 77.31 110.953 176.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.734 ' NZ ' ' OD2' ' A' ' 9' ' ' ASP . 22.1 tptp -58.98 -37.87 77.82 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.85 -0.34 . . . . 54.25 111.185 176.92 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.514 ' NE2' ' HG3' ' B' ' 12' ' ' GLU . 2.8 t60 -72.44 -37.95 68.44 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.128 -0.629 . . . . 74.68 111.343 -179.202 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.3 mp -59.55 -38.06 80.07 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.557 -0.457 . . . . 47.43 110.996 173.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.511 ' O ' ' HG2' ' A' ' 12' ' ' GLU . 4.0 mtp180 -68.55 -41.63 79.51 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.63 -0.428 . . . . 68.84 111.27 179.14 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.734 ' OD2' ' NZ ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -58.06 -47.53 82.87 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.787 -0.365 . . . . 61.88 111.207 178.609 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 72.0 mmm -61.22 -41.9 97.66 Favored 'General case' 0 C--O 1.237 0.416 0 O-C-N 122.144 -0.348 . . . . 85.43 111.554 -179.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 55.3 mtp -63.37 -30.09 71.28 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.242 -0.583 . . . . 66.58 111.748 178.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 8' ' ' ARG . 36.6 mm-40 -67.65 -44.81 77.02 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 119.937 -0.705 . . . . 72.81 110.803 174.757 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 9' ' ' ASP . 20.1 mm -62.06 -43.36 97.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-O 120.939 0.4 . . . . 53.11 110.737 -175.487 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.9 m -69.39 -33.32 56.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 C-N-CA 120.114 -0.634 . . . . 60.2 110.977 -175.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.407 HG12 ' HE3' ' A' ' 19' ' ' MET . 2.0 mt -73.54 -44.29 53.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 C-N-CA 119.856 -0.738 . . . . 57.92 110.555 -178.455 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 12' ' ' GLU . 12.1 mmmm -75.13 -52.57 10.65 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 121.866 -0.521 . . . . 72.98 111.735 -175.66 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.671 ' HB3' HD11 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -110.45 9.5 23.32 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 113.486 0.921 . . . . 66.0 113.486 -165.995 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.472 ' HB2' ' SD ' ' B' ' 19' ' ' MET . 3.1 t80 -132.89 -78.73 0.49 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-N 118.517 0.599 . . . . 71.75 110.434 178.286 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . 0.407 ' HE3' HG12 ' A' ' 15' ' ' ILE . 19.9 ttm -48.1 92.59 0.01 OUTLIER 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.014 0.526 . . . . 84.46 110.477 179.087 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' THR . . . . . 0.541 ' OG1' ' N ' ' A' ' 21' ' ' GLY . 2.6 t 28.26 -135.12 0.01 OUTLIER 'General case' 0 C--O 1.236 0.373 0 C-N-CA 125.581 1.552 . . . . 98.34 111.156 -165.022 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.541 ' N ' ' OG1' ' A' ' 20' ' ' THR . . . -82.62 -59.11 2.28 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 109.36 -1.496 . . . . 96.0 109.36 168.411 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 t0 50.97 28.62 3.92 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 123.368 0.667 . . . . 82.04 111.551 -178.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -71.81 -9.51 58.41 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.289 0.478 . . . . 67.54 112.289 175.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -66.72 -28.78 68.7 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.447 -0.501 . . . . 80.53 111.06 167.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.445 ' O ' ' HG2' ' A' ' 28' ' ' GLU . . . -79.02 6.39 9.5 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.958 0.725 . . . . 61.12 112.958 177.4 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -63.89 -25.23 68.06 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 118.126 0.421 . . . . 54.21 112.069 175.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -71.33 -36.6 71.62 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.821 -0.352 . . . . 68.77 111.429 -177.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 21.8 pt-20 -76.95 -16.73 59.26 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 112.859 0.689 . . . . 94.74 112.859 -176.856 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 30.8 mtm -107.46 -3.69 19.23 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 113.015 0.746 . . . . 69.37 113.015 179.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.02 133.91 34.23 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 118.417 0.553 . . . . 49.8 110.484 -178.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.66 144.17 89.64 Favored Pre-proline 0 C--O 1.235 0.306 0 N-CA-C 109.36 -0.607 . . . . 54.55 109.36 171.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -53.54 -29.65 50.86 Favored 'Trans proline' 0 C--O 1.239 0.531 0 N-CA-C 113.654 0.598 . . . . 51.02 113.654 176.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -109.48 39.35 2.11 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 123.448 0.699 . . . . 49.67 111.214 178.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.46 140.07 20.12 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 CA-C-O 121.288 0.566 . . . . 41.44 109.789 -179.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 57.7 mttm -103.65 148.48 25.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.262 0.553 . . . . 51.48 110.17 175.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -144.01 122.37 12.34 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 108.486 -0.931 . . . . 48.36 108.486 -176.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -129.41 129.01 44.15 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.402 -0.592 . . . . 66.78 109.402 174.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.2 t -110.71 133.84 54.88 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 108.203 -1.036 . . . . 44.02 108.203 -179.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -116.46 98.47 6.58 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.646 -1.242 . . . . 57.7 107.646 177.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.6 t -114.98 92.8 2.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 106.527 -1.656 . . . . 52.3 106.527 177.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.84 -123.39 18.67 Favored Glycine 0 C--O 1.238 0.393 0 N-CA-C 110.436 -1.066 . . . . 54.45 110.436 -179.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -95.72 -1.18 50.48 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 112.824 0.676 . . . . 66.15 112.824 178.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -90.55 130.1 36.63 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 108.996 -0.742 . . . . 96.99 108.996 174.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -129.86 116.13 18.24 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 108.876 -0.787 . . . . 64.12 108.876 -177.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 53.2 mt -106.34 142.91 18.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 N-CA-C 108.561 -0.903 . . . . 50.22 108.561 -175.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -136.19 123.29 21.61 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 108.725 -0.842 . . . . 60.38 108.725 177.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -126.87 153.53 45.59 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.488 -0.56 . . . . 77.78 109.488 178.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -139.79 146.6 39.65 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.669 -0.696 . . . . 51.63 109.601 178.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.79 145.47 19.0 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.565 -0.743 . . . . 42.74 111.748 -176.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -63.44 -37.97 89.35 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 117.67 0.735 . . . . 69.43 111.582 -173.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -74.89 -39.65 61.37 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.372 -0.531 . . . . 71.15 111.915 -176.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -64.54 -37.88 89.08 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.273 -0.571 . . . . 91.36 111.321 176.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.3 t -71.7 -46.6 61.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 120.936 0.398 . . . . 48.64 110.588 -176.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.8 t -61.81 -43.61 97.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 O-C-N 121.985 -0.447 . . . . 47.74 110.69 -176.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -62.79 -40.24 96.71 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.21 -0.596 . . . . 91.01 111.31 178.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -71.58 -43.92 65.43 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.141 -0.623 . . . . 63.14 111.195 -179.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.33 -38.58 87.39 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.475 -0.49 . . . . 52.02 111.275 178.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 35.0 mt -63.84 -41.35 92.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 120.869 0.366 . . . . 53.79 110.542 179.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -64.06 -39.11 93.34 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.954 -0.699 . . . . 75.5 111.151 176.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 23.6 tp -60.33 -44.83 95.14 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.783 -0.367 . . . . 58.27 110.989 178.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.5 mt -69.78 -30.15 67.64 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.638 -0.425 . . . . 53.29 111.727 179.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -68.51 -33.96 75.05 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.441 -0.504 . . . . 68.02 111.734 178.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -70.74 -30.01 66.42 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.21 -0.596 . . . . 49.31 111.753 -177.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 10.8 m-90 -103.29 -2.32 27.33 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 112.924 0.712 . . . . 50.71 112.924 177.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 54.47 49.96 17.16 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.897 0.856 . . . . 52.61 110.754 -178.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.7 t -74.7 129.04 36.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 115.395 -0.82 . . . . 54.01 110.02 -171.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -98.27 -48.6 5.01 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.083 -0.508 . . . . 75.11 111.894 168.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -153.58 -165.61 2.19 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 107.898 -1.149 . . . . 72.16 107.898 175.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 80.1 mt -127.48 111.49 25.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.487 0 N-CA-C 108.004 -1.11 . . . . 67.47 108.004 -177.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.0 tpp85 -67.45 105.29 1.77 Allowed 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.854 -0.795 . . . . 80.78 108.854 173.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.671 HD11 ' HB3' ' A' ' 17' ' ' LEU . 86.7 mt -83.31 133.02 30.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 N-CA-C 109.902 -0.407 . . . . 67.68 109.902 -168.51 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.403 ' ND1' ' O ' ' A' ' 202' ' ' HOH . 52.5 m170 -99.96 -42.33 6.82 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 112.719 0.636 . . . . 67.57 112.719 173.731 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -154.97 150.38 27.3 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.088 -0.708 . . . . 74.51 109.088 177.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.612 HD11 HD13 ' A' ' 71' ' ' ILE . 10.6 mt -140.07 136.33 37.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 N-CA-C 108.703 -0.851 . . . . 56.33 108.703 -179.911 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -126.76 134.24 50.66 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 108.993 -0.743 . . . . 66.53 108.993 174.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.458 HD22 ' NZ ' ' B' ' 16' ' ' LYS . 1.8 tp -107.72 110.85 22.78 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.94 -1.133 . . . . 55.31 107.94 177.884 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.3 mt -119.16 84.71 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.373 0 N-CA-C 108.958 -0.756 . . . . 48.11 108.958 -176.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.14 -103.6 0.96 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.105 -0.569 . . . . 51.5 112.818 -178.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.9 p-10 -106.83 15.36 25.61 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.289 0.478 . . . . 57.6 112.289 -178.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -120.64 131.0 54.38 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.859 0.464 . . . . 52.52 109.841 -174.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.2 tp -101.77 130.69 48.25 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.954 -0.758 . . . . 56.4 108.954 171.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.83 119.73 58.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 N-CA-C 107.847 -1.168 . . . . 42.71 107.847 177.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.579 HG22 HG12 ' A' ' 74' ' ' ILE . 92.3 t -123.69 131.61 72.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 108.695 -0.854 . . . . 41.29 108.695 -177.515 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -117.01 125.83 51.97 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 107.876 -1.157 . . . . 80.13 107.876 167.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -160.97 -154.84 7.56 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.941 -0.647 . . . . 52.44 114.383 -175.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.8 ttt85 -148.41 142.03 25.5 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 107.943 -1.132 . . . . 89.1 107.943 -174.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -63.39 140.76 58.91 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 120.282 -0.567 . . . . 63.46 111.125 -174.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -104.15 93.18 4.7 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 106.285 -1.746 . . . . 77.23 106.285 168.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 44.0 p -94.12 168.17 11.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.992 0.901 . . . . 62.44 110.909 -174.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 91.8 p -92.69 3.9 54.72 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.258 -0.883 . . . . 67.74 112.763 176.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -65.11 162.69 16.41 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.9 0.857 . . . . 74.63 110.535 177.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -75.67 4.55 43.29 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 115.754 1.062 . . . . 77.45 115.754 179.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -159.19 -150.25 0.23 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-N 118.227 1.014 . . . . 84.77 108.416 -178.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -111.83 27.56 9.54 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 112.387 0.514 . . . . 75.46 112.387 -176.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.1 t -69.83 -26.15 64.1 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 113.077 0.769 . . . . 83.04 113.077 -175.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -125.14 28.8 6.27 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 118.606 0.639 . . . . 70.11 111.712 -175.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -93.94 67.94 3.77 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 122.439 1.114 . . . . 78.33 109.262 177.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -77.83 150.84 34.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.235 -0.893 . . . . 72.12 110.766 -178.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -68.74 141.27 55.3 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.503 -0.771 . . . . 72.14 110.304 177.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.4 p -142.17 140.59 29.37 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 109.045 -0.724 . . . . 47.12 109.045 -174.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -116.83 132.66 56.64 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 108.156 -1.053 . . . . 64.83 108.156 170.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.3 mp -125.22 133.98 52.52 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.592 -0.521 . . . . 48.17 109.592 -177.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 82.7 mt -124.02 119.38 56.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 N-CA-C 107.787 -1.19 . . . . 53.5 107.787 178.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.4 t -120.01 123.51 70.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 N-CA-C 108.134 -1.061 . . . . 44.43 108.134 -176.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 59.5 mt -106.04 124.34 61.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 N-CA-C 107.842 -1.17 . . . . 46.2 107.842 178.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.2 t -108.88 122.99 64.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 N-CA-C 108.173 -1.047 . . . . 45.36 108.173 -177.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 86.4 t -128.34 120.7 53.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 108.066 -1.087 . . . . 36.63 108.066 179.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 21.3 t70 55.41 46.29 23.57 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.815 0.817 . . . . 70.17 111.281 177.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 72.54 1.78 53.58 Favored Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 115.975 1.15 . . . . 44.65 115.975 177.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -121.72 149.35 43.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 118.764 1.282 . . . . 59.07 109.868 179.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 65.8 mt -73.98 112.94 11.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 N-CA-C 107.963 -1.125 . . . . 44.16 107.963 178.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -93.64 -28.28 16.08 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 112.867 0.691 . . . . 42.35 112.867 -178.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -150.38 137.55 19.46 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 118.392 0.542 . . . . 81.95 109.978 -179.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.9 t -126.92 131.8 70.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 108.066 -1.087 . . . . 36.77 108.066 174.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -123.45 133.94 53.99 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.705 -0.85 . . . . 50.28 108.705 172.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 61.7 mt -130.88 124.7 56.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 108.097 -1.075 . . . . 41.4 108.097 -178.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 71.5 mt -122.56 122.06 65.14 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 N-CA-C 107.848 -1.167 . . . . 46.47 107.848 -178.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 57.7 mt -121.75 125.74 73.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 108.355 -0.98 . . . . 52.7 108.355 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.429 ' NH2' ' O ' ' A' ' 205' ' ' HOH . 25.0 mtm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.386 . . . . 89.13 110.375 174.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.608 0.242 . . . . 73.99 110.943 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 51.3 t60 -64.39 -39.73 94.43 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.374 -0.53 . . . . 70.11 111.133 177.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 36.9 tp -58.98 -43.98 91.51 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.625 -0.43 . . . . 57.72 111.167 -179.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -61.94 -49.43 76.17 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.497 -0.481 . . . . 79.03 111.014 178.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -63.78 -40.35 96.47 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.315 -0.554 . . . . 89.14 111.328 -179.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 32.6 mmt -62.39 -45.3 93.77 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.335 -0.546 . . . . 102.4 111.08 179.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' MET . . . . . 0.427 ' O ' HG12 ' B' ' 15' ' ' ILE . 25.5 mmt -63.54 -36.51 84.01 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.168 -0.613 . . . . 60.86 111.132 178.492 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.514 ' HG3' ' NE2' ' A' ' 6' ' ' HIS . 41.5 mm-40 -70.5 -42.98 70.62 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.415 -0.514 . . . . 81.95 111.25 179.018 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.444 ' O ' HD22 ' B' ' 17' ' ' LEU . 69.1 mt -58.58 -40.51 79.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 C-N-CA 120.479 -0.489 . . . . 66.65 110.136 176.114 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 16.6 t -57.55 -41.6 79.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 120.912 0.387 . . . . 63.43 110.793 178.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.427 HG12 ' O ' ' B' ' 11' ' ' MET . 30.7 mm -66.7 -35.99 76.14 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 120.416 -0.514 . . . . 60.29 110.595 -178.753 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.458 ' NZ ' HD22 ' A' ' 76' ' ' LEU . 37.6 mtmm -67.91 0.87 3.04 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 113.171 0.804 . . . . 78.9 113.171 -178.013 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.501 HD12 HG21 ' B' ' 20' ' ' THR . 1.1 mm? -84.32 9.42 13.12 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 118.906 0.776 . . . . 83.63 112.436 168.978 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -72.93 -3.08 23.63 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 123.253 0.621 . . . . 75.9 112.447 163.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' MET . . . . . 0.472 ' SD ' ' HB2' ' A' ' 18' ' ' PHE . 0.7 OUTLIER -148.86 67.14 1.05 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 122.597 1.189 . . . . 73.85 108.963 -167.517 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' THR . . . . . 0.501 HG21 HD12 ' B' ' 17' ' ' LEU . 37.7 p -131.21 27.55 4.8 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 121.25 -0.906 . . . . 70.92 111.124 176.552 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.42 -55.54 2.42 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.345 -0.455 . . . . 85.82 113.001 -179.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -122.39 163.41 19.83 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.417 0.627 . . . . 102.81 109.743 -179.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.405 ' CZ2' ' HB3' ' B' ' 57' ' ' LEU . 80.0 m95 -87.28 26.4 1.22 Allowed 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.593 -0.73 . . . . 85.08 112.744 -179.811 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -71.34 -29.5 65.07 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.482 -0.487 . . . . 80.85 111.739 177.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.55 -34.29 31.2 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.581 -0.448 . . . . 73.55 112.004 -178.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -69.21 -34.04 74.25 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.008 -0.677 . . . . 74.95 111.464 174.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -65.98 -41.25 91.39 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.925 -0.31 . . . . 80.29 111.323 -177.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 26.2 pt-20 -73.69 -17.62 61.11 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.449 0.537 . . . . 77.99 112.449 -178.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 30.5 mtm -101.74 -18.84 15.62 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 113.641 0.978 . . . . 71.1 113.641 -179.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.455 ' HB3' ' HG3' ' B' ' 50' ' ' ARG . . . -75.72 135.18 40.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 118.392 0.542 . . . . 49.23 110.879 -175.58 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -57.57 140.67 80.01 Favored Pre-proline 0 C--O 1.236 0.362 0 N-CA-C 108.802 -0.814 . . . . 47.55 108.802 166.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -55.82 -27.1 60.65 Favored 'Trans proline' 0 C--O 1.237 0.454 0 CA-C-N 118.718 0.578 . . . . 49.48 113.243 178.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -103.68 34.13 3.11 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.039 0.536 . . . . 49.23 112.19 176.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -64.2 140.51 19.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-O 121.445 0.64 . . . . 42.38 109.776 -178.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -100.99 146.32 27.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.874 -0.603 . . . . 57.62 109.738 175.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -135.68 125.05 24.8 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.626 -0.879 . . . . 39.51 108.626 178.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.447 ' HB2' ' HG3' ' B' ' 115' ' ' ARG . 30.4 mt-30 -127.32 136.67 52.24 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.95 -0.389 . . . . 45.59 109.95 -179.954 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 61.1 t -130.35 114.29 28.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 106.967 -1.494 . . . . 40.87 106.967 173.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -114.34 106.37 14.24 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 108.441 -0.948 . . . . 48.18 108.441 -177.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 24.3 t -122.48 87.83 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 106.513 -1.662 . . . . 51.22 106.513 179.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 61.8 -104.81 0.78 Allowed Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 116.361 -0.382 . . . . 61.38 113.469 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -87.14 -28.93 22.18 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 112.896 0.702 . . . . 69.52 112.896 179.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -82.68 120.42 25.55 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.758 -0.46 . . . . 86.3 109.758 -177.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -121.44 113.45 19.87 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.315 -0.994 . . . . 55.16 108.315 178.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 64.8 mt -98.73 132.86 43.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 N-CA-C 108.373 -0.973 . . . . 51.39 108.373 177.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -135.85 120.47 18.28 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 108.661 -0.866 . . . . 63.85 108.661 -178.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 20.6 mmt85 -132.22 135.9 46.63 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 108.983 -0.747 . . . . 74.63 108.983 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 26.3 t60 -131.1 129.31 41.72 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.155 -0.683 . . . . 49.59 109.155 -180.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 115.79 134.67 5.56 Favored Glycine 0 N--CA 1.462 0.432 0 N-CA-C 108.866 -1.694 . . . . 41.25 108.866 -177.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.455 ' HG3' ' HB3' ' B' ' 30' ' ' ALA . 14.8 ttm180 -58.7 -38.5 78.39 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.587 -0.445 . . . . 68.59 111.416 -175.634 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -71.22 -44.12 65.99 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.224 -0.59 . . . . 69.75 111.182 -179.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mp0 -67.89 -28.74 67.77 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.237 -0.585 . . . . 58.52 111.919 -178.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.8 t -73.91 -41.7 53.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 C-N-CA 120.258 -0.577 . . . . 53.52 110.745 -178.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 71.5 t -63.22 -40.31 88.57 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 O-C-N 121.877 -0.514 . . . . 65.34 110.655 -178.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -66.71 -26.18 66.89 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 119.873 -0.731 . . . . 79.9 111.502 178.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -73.88 -38.17 64.49 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 119.979 -0.688 . . . . 68.82 110.86 174.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.405 ' HB3' ' CZ2' ' B' ' 23' ' ' TRP . 88.4 mt -65.61 -37.43 86.57 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.731 -0.387 . . . . 81.05 111.313 177.886 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 80.4 mt -62.51 -44.78 99.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.098 0.475 . . . . 79.16 110.412 177.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 58.8 ttt85 -74.26 -28.49 61.24 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 121.921 -0.487 . . . . 114.79 111.835 -178.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 13.9 tp -92.59 -61.28 1.63 Allowed 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.287 0.477 . . . . 87.75 112.287 -172.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -67.22 -31.11 71.25 Favored 'General case' 0 C--O 1.237 0.395 0 N-CA-C 112.226 0.454 . . . . 92.75 112.226 -169.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.18 -58.98 3.84 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.487 -0.485 . . . . 96.04 111.352 -174.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -69.68 -23.67 63.48 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.231 -0.588 . . . . 90.75 112.4 -177.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -65.05 123.8 20.43 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 118.246 0.476 . . . . 83.38 109.928 174.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -103.21 96.73 6.97 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.226 -1.027 . . . . 103.31 108.226 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 19.8 m -95.67 141.56 15.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 109.001 -0.74 . . . . 70.81 109.001 -178.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -152.03 150.93 30.5 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.493 -0.928 . . . . 93.38 108.493 -179.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 51.9 t30 53.3 63.45 2.22 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 122.212 1.006 . . . . 64.32 110.991 179.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' ILE . . . . . . . . . . . . . 58.5 mt -82.61 121.23 35.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 114.952 -1.022 . . . . 50.31 108.69 179.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -117.33 134.35 54.92 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 108.971 -0.752 . . . . 56.8 108.971 -178.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 40.7 mm -102.69 121.09 53.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 108.397 -0.964 . . . . 41.08 108.397 -178.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -102.2 -28.97 11.98 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 113.655 0.983 . . . . 49.37 113.655 -177.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -157.36 139.42 14.37 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 118.642 0.655 . . . . 62.04 109.333 -175.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 76.3 mt -134.89 127.51 48.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 107.865 -1.161 . . . . 45.3 107.865 174.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -135.65 131.15 35.39 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.513 -0.551 . . . . 55.66 109.513 -179.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -110.7 112.3 24.08 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 107.744 -1.206 . . . . 51.18 107.744 177.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' ILE . . . . . . . . . . . . . 11.7 mt -122.86 81.34 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.371 0 N-CA-C 109.344 -0.613 . . . . 46.1 109.344 -178.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.94 -114.98 5.3 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.019 -0.61 . . . . 40.03 112.816 -179.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -91.44 1.21 57.29 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 113.166 0.802 . . . . 57.28 113.166 -179.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -115.23 134.58 55.01 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 118.399 0.545 . . . . 51.17 109.866 -176.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 38.7 tp -115.72 128.93 56.25 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 108.673 -0.862 . . . . 48.85 108.673 173.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 97.2 t -118.56 121.81 67.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 108.08 -1.081 . . . . 42.24 108.08 -178.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 59.8 t -121.67 127.91 75.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 108.171 -1.048 . . . . 41.54 108.171 178.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -118.42 134.58 54.94 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.971 -0.751 . . . . 63.52 108.971 177.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' GLY . . . . . . . . . . . . . . . -161.1 -159.49 10.04 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.349 -0.929 . . . . 38.71 113.108 -176.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' ARG . . . . . 0.46 ' NH1' ' OD1' ' B' ' 99' ' ' ASP . 60.3 ttt85 -155.8 131.53 9.77 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 108.77 -0.826 . . . . 58.46 108.77 -174.393 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -132.44 169.39 16.61 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.621 0.724 . . . . 55.51 109.646 178.887 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 59.0 tt0 -111.06 109.15 19.12 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 108.141 -1.059 . . . . 75.4 108.141 178.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 8.8 t -98.3 155.23 17.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.154 0.502 . . . . 49.32 109.803 177.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 23.7 m -144.86 147.33 32.69 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.372 0.606 . . . . 55.76 110.513 -173.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -129.3 103.91 7.21 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 105.952 -1.87 . . . . 50.86 105.952 166.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' GLY . . . . . . . . . . . . . . . 67.42 -130.49 29.09 Favored Glycine 0 C--O 1.236 0.221 0 C-N-CA 119.674 -1.25 . . . . 58.35 110.355 -174.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -78.97 -37.77 38.64 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.551 -0.46 . . . . 72.45 111.821 178.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -64.05 141.59 58.72 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.246 0.546 . . . . 69.75 110.547 -178.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . . 36.3 t -156.41 155.78 32.71 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.117 -0.697 . . . . 64.27 109.117 -175.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -160.73 157.38 26.86 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.35 -0.841 . . . . 58.8 108.88 177.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -98.47 148.23 23.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.297 -0.865 . . . . 72.03 109.937 176.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -148.85 151.22 34.36 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.742 -0.663 . . . . 55.27 109.349 -177.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' ASP . . . . . 0.46 ' OD1' ' NH1' ' B' ' 86' ' ' ARG . 74.2 m-20 -83.79 136.34 34.18 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.561 -0.745 . . . . 70.32 110.289 179.119 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 12.1 p -128.82 147.18 33.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 N-CA-C 108.791 -0.818 . . . . 41.6 108.791 -174.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -130.57 121.55 25.89 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 108.586 -0.894 . . . . 57.52 108.586 176.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' LEU . . . . . . . . . . . . . 65.7 tp -106.75 126.63 52.53 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.431 -0.581 . . . . 42.86 109.431 179.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 36.1 mt -126.93 125.51 66.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 N-CA-C 108.131 -1.063 . . . . 42.19 108.131 179.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 54.6 t -135.01 126.14 46.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 108.546 -0.909 . . . . 41.18 108.546 -179.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 65.4 mt -113.48 126.33 70.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 108.162 -1.051 . . . . 36.23 108.162 179.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 77.2 t -114.15 116.97 54.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 N-CA-C 108.163 -1.051 . . . . 49.19 108.163 -178.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 90.1 t -107.96 113.45 43.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 107.785 -1.191 . . . . 42.98 107.785 -179.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . . 39.4 t0 57.08 46.23 19.52 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.609 0.719 . . . . 67.36 111.371 177.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.69 0.88 82.04 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 115.801 1.08 . . . . 51.56 115.801 176.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -117.98 143.1 46.67 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 118.721 1.261 . . . . 58.79 109.983 -179.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 59.9 mt -73.32 118.87 19.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 N-CA-C 108.809 -0.811 . . . . 45.24 108.809 179.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -103.4 -32.79 9.35 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 113.544 0.942 . . . . 39.54 113.544 -178.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -145.29 132.75 20.75 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 118.491 0.587 . . . . 44.66 109.503 -177.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' VAL . . . . . . . . . . . . . 86.0 t -128.8 119.35 49.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 107.474 -1.306 . . . . 37.82 107.474 172.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' ARG . . . . . 0.447 ' HG3' ' HB2' ' B' ' 37' ' ' GLN . 74.4 ttt180 -126.58 131.28 51.55 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.562 -0.533 . . . . 41.78 109.562 179.528 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 57.4 mt -117.63 119.86 62.97 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 107.657 -1.238 . . . . 40.93 107.657 176.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 40.5 mt -113.6 125.9 70.96 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 N-CA-C 108.367 -0.975 . . . . 43.05 108.367 -179.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 60.8 mt -121.87 116.61 49.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 N-CA-C 107.779 -1.193 . . . . 46.8 107.779 178.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.389 -0.369 . . . . 58.96 111.768 -179.294 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . 0.403 ' O ' ' ND1' ' A' ' 72' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . 0.429 ' O ' ' NH2' ' A' ' 119' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' 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 stop_ save_