data_7c28_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 7c28 _Structure_validation_residue.Date_analyzed 2020-10-16 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 ' 1' ' ' LEU . . . . . . . . . . . . . 18.7 tp . . . . . 0 CA--C 1.518 -0.269 0 CA-C-O 120.676 0.274 . . . . 32.54 110.51 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.9 m -117.8 130.09 56.07 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 108.799 -0.815 . . . . 31.34 108.799 177.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.1 m -128.14 148.37 50.59 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.389 0.676 . . . . 25.56 110.065 -179.011 -55.118 -70.266 -78.077 104.614 2.04 105.074 -57.29 -50.426 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.9 t -67.99 142.04 16.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 CA-C-N 115.866 -0.606 . . . . 27.51 109.496 170.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.6 p -118.71 -29.6 5.34 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 113.946 1.091 . . . . 37.0 113.946 -178.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -151.13 154.64 37.31 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.135 -1.061 . . . . 60.6 108.135 177.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -151.92 119.89 6.22 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 107.995 -1.113 . . . . 36.32 107.995 -177.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.9 t -156.76 124.54 5.48 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.38 0.425 . . . . 35.34 110.221 -175.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 57.59 38.53 27.86 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.577 0.751 . . . . 29.41 111.828 171.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.86 -11.1 73.03 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 115.402 0.921 . . . . 33.83 115.402 175.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -107.93 139.56 15.11 Favored Glycine 0 CA--C 1.517 0.214 0 CA-C-N 118.555 1.178 . . . . 32.25 110.329 -179.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 m -122.36 155.07 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.839 0.828 . . . . 39.94 108.882 178.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.6 mt -120.56 149.28 23.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 107.694 -1.224 . . . . 54.92 107.694 172.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 52.3 p -133.49 173.79 11.11 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.756 0.789 . . . . 34.23 109.013 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -160.92 162.75 32.13 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.188 -1.041 . . . . 36.37 108.188 -175.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -99.65 130.54 45.89 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.433 -0.951 . . . . 58.77 108.433 176.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.0 m -78.61 152.69 31.65 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.571 0.7 . . . . 39.87 110.738 -173.861 -45.978 -61.023 -71.737 104.632 2.035 104.718 -105.376 -57.9 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.76 168.77 2.13 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.871 0.843 . . . . 50.73 110.211 173.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.4 -45.88 73.0 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.252 -0.886 . . . . 49.93 111.627 -173.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.1 7.65 81.66 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 116.259 1.264 . . . . 39.91 116.259 -175.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -101.81 104.22 14.98 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 106.507 -1.664 . . . . 38.17 106.507 177.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -116.89 19.99 14.1 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 113.16 0.8 . . . . 36.27 113.16 -173.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.6 mm -138.83 141.59 36.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 108.778 -0.823 . . . . 40.68 108.778 -178.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 32.9 m -99.0 150.53 21.87 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 108.687 -0.857 . . . . 27.08 108.687 164.742 -50.426 -57.29 -78.077 105.074 2.04 104.614 -70.266 -55.118 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -132.61 153.32 51.16 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.632 0.729 . . . . 28.19 111.659 -178.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -122.88 137.79 54.84 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.827 1.251 . . . . 21.13 108.298 163.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -134.17 114.73 13.41 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.815 -0.439 . . . . 25.38 109.815 -177.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 8.1 m-90 -86.64 109.95 19.52 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 108.763 -0.829 . . . . 29.26 108.763 -179.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -110.48 131.99 54.57 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.498 -0.556 . . . . 43.01 109.498 174.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -82.5 128.15 34.0 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.162 -0.472 . . . . 32.25 111.629 -169.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 82.6 mmm -106.62 -24.12 12.25 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 113.555 0.946 . . . . 49.46 113.555 174.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -177.63 -178.29 47.1 Favored Glycine 0 N--CA 1.441 -0.967 0 N-CA-C 109.205 -1.558 . . . . 29.86 109.205 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -56.75 120.05 7.7 Favored 'Trans proline' 0 N--CA 1.476 0.457 0 CA-C-N 117.751 0.776 . . . . 29.03 110.991 179.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp 64.82 10.66 6.28 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 124.988 1.315 . . . . 42.91 113.07 179.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.3 tp -116.55 114.99 24.91 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.641 -0.874 . . . . 26.55 108.641 -173.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -131.47 135.71 47.34 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 122.773 0.429 . . . . 25.69 111.106 -173.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -97.0 120.44 37.35 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 108.46 -0.941 . . . . 71.44 108.46 170.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.3 t -97.28 112.67 29.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 N-CA-C 108.014 -1.106 . . . . 29.05 108.014 -175.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -84.81 139.71 31.73 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.446 -0.576 . . . . 46.68 109.446 175.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.1 mtt85 -136.6 144.07 43.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.966 -0.561 . . . . 28.33 109.763 -176.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 171.06 -171.89 44.12 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.705 -0.76 . . . . 24.44 111.373 175.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 66.9 m -81.73 157.53 24.53 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 114.417 -0.891 . . . . 30.84 111.119 174.926 -57.9 -105.376 -71.737 104.718 2.035 104.632 -61.023 -45.978 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.9 t -165.5 161.08 18.41 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.291 -0.868 . . . . 24.14 108.985 173.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.01 -31.56 12.09 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.113 -0.949 . . . . 25.36 113.0 176.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.3 m -126.87 136.17 51.97 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.278 -1.008 . . . . 27.74 108.278 175.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 37.3 t -65.67 128.14 93.59 Favored Pre-proline 0 C--O 1.235 0.328 0 N-CA-C 108.927 -0.768 . . . . 27.85 108.927 -177.884 -171.931 70.468 98.863 103.465 2.031 104.162 136.321 -78.912 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.63 151.08 32.04 Favored 'Trans proline' 0 C--N 1.331 -0.364 0 CA-C-O 121.84 0.683 . . . . 23.29 112.469 -175.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.7 mmtm -75.43 143.48 42.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.79 -1.096 . . . . 56.6 109.791 170.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.54 153.68 21.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.247 -0.433 . . . . 23.52 110.596 -175.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -59.99 152.38 23.93 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.188 -0.671 . . . . 38.08 109.188 171.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -50.14 -34.67 23.05 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.793 -0.64 . . . . 42.33 111.766 -178.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' A' ' 205' ' ' HOH . 11.3 p30 -100.51 17.64 21.15 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.96 0.726 . . . . 44.58 112.96 -179.489 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -121.96 -158.36 10.29 Favored Glycine 0 C--N 1.333 0.401 0 N-CA-C 117.113 1.605 . . . . 32.45 117.113 -175.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.3 t -162.65 150.28 13.76 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.386 -0.968 . . . . 28.94 108.386 178.998 -162.264 -95.286 -85.081 103.45 2.055 105.729 -94.252 -163.808 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.1 t -132.93 138.9 50.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 108.425 -0.954 . . . . 25.53 108.425 -177.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -125.77 131.66 52.45 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.17 -1.048 . . . . 26.12 108.17 171.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 29.0 m -126.31 137.25 53.47 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.246 0.341 . . . . 30.99 110.447 -178.383 -78.912 136.321 98.863 104.162 2.031 103.465 70.468 -171.931 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.7 p -147.01 165.44 29.85 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 107.687 -1.227 . . . . 30.46 107.687 -175.176 47.488 95.127 82.146 101.986 2.019 100.542 103.949 65.767 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -139.17 45.99 1.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 119.626 -0.83 . . . . 28.27 112.24 -176.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 42.8 p -129.94 165.83 21.3 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.215 -0.928 . . . . 29.25 109.286 164.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -61.12 124.15 19.73 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.387 -0.824 . . . . 45.39 110.977 -169.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 50.0 mttt 52.01 26.23 3.63 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.573 1.149 . . . . 33.74 112.907 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 30.3 p -50.71 -30.15 13.11 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 113.343 0.868 . . . . 28.13 113.343 166.826 65.767 103.949 82.146 100.542 2.019 101.986 95.127 47.488 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -91.82 36.64 0.96 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.95 0.722 . . . . 25.71 112.95 -170.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt . . . . . 0 N--CA 1.469 0.506 0 N-CA-C 114.026 1.121 . . . . 43.65 114.026 -179.751 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 20.4 tp . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.973 0.416 . . . . 35.86 110.893 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' THR . . . . . 0.532 ' O ' ' N ' ' B' ' 62' ' ' LYS . 8.8 m -118.86 130.4 55.73 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.784 -0.821 . . . . 45.66 108.784 177.655 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 59.2 m -127.43 148.14 50.29 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.337 0.589 . . . . 35.16 109.922 -179.311 -55.158 -68.433 -74.269 106.359 2.043 104.189 -61.321 -47.852 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.47 144.45 14.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.514 0 CA-C-N 115.35 -0.841 . . . . 41.17 109.999 172.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 34.3 p -118.87 -29.36 5.34 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 114.133 1.16 . . . . 55.4 114.133 179.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.143 0 CA-C-N 118.836 0.744 . . . . 50.97 112.189 -179.257 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.177 0 N-CA-C 109.448 -0.575 . . . . 61.91 109.448 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.5 p -135.47 172.86 12.4 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.278 0.561 . . . . 62.09 109.539 -178.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . . . -161.58 162.14 30.03 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.01 -0.541 . . . . 57.3 109.653 -176.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -102.39 132.84 48.13 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.212 -0.903 . . . . 60.42 109.815 176.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 5.8 m -78.75 155.68 29.23 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.848 0.832 . . . . 41.38 112.856 -171.719 -42.537 -57.496 -64.58 105.027 2.044 104.616 -103.585 -64.463 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.66 170.61 0.75 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 114.876 -1.056 . . . . 47.08 111.19 175.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.14 -49.59 66.25 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 114.765 -1.107 . . . . 54.16 112.332 -169.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.8 9.4 76.91 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 116.243 1.257 . . . . 47.08 116.243 -176.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -98.15 107.53 20.03 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.995 1.398 . . . . 40.19 109.994 -175.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -116.79 22.2 12.83 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.043 0.537 . . . . 44.86 112.437 -176.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 80.1 mt -138.12 139.01 42.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 118.345 0.52 . . . . 31.41 109.631 -178.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 20.0 m -101.14 149.58 23.83 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 124.668 1.187 . . . . 32.22 108.638 163.999 -47.852 -61.321 -74.269 104.189 2.043 106.359 -68.433 -55.158 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -132.68 153.68 50.88 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.289 0.566 . . . . 31.61 111.798 -178.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -122.15 135.99 54.85 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 124.661 1.184 . . . . 25.94 108.143 162.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ASN . . . . . 0.755 ' ND2' ' O ' ' B' ' 201' ' ' HOH . 36.5 t-20 -133.37 116.06 15.61 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 110.248 -0.278 . . . . 53.42 110.248 -176.573 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 9.4 m-90 -85.74 109.86 18.92 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.968 -0.753 . . . . 32.41 108.968 -179.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -107.99 129.97 55.08 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.829 -0.804 . . . . 36.23 108.829 175.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -82.33 129.05 34.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.126 -0.488 . . . . 27.37 110.372 -170.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 56.4 mtm -103.48 -26.28 12.92 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 112.241 0.46 . . . . 29.52 112.241 173.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 179.56 -176.7 47.83 Favored Glycine 0 N--CA 1.441 -1.033 0 N-CA-C 108.709 -1.756 . . . . 24.3 108.709 177.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -55.58 123.71 14.49 Favored 'Trans proline' 0 N--CA 1.474 0.333 0 CA-C-N 117.256 0.528 . . . . 20.53 111.314 178.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt 66.75 5.15 3.77 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 126.163 1.785 . . . . 36.23 113.459 179.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 12.5 mt -117.37 114.67 23.89 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 108.858 -0.793 . . . . 26.64 108.858 -172.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -130.68 134.61 47.08 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.651 -0.5 . . . . 27.68 109.651 -175.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -94.45 119.02 32.53 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 108.914 -0.772 . . . . 39.66 108.914 173.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 47.7 t -97.49 112.17 28.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 N-CA-C 109.038 -0.727 . . . . 36.71 109.038 -172.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -88.87 141.22 28.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.937 0.399 . . . . 44.39 111.018 174.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 31.3 mtt85 -137.79 143.2 40.96 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 108.984 -0.747 . . . . 32.36 108.984 -178.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 170.14 -172.37 43.88 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.302 -0.951 . . . . 30.2 111.462 174.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 85.3 m -81.97 158.8 23.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.167 -1.017 . . . . 35.65 110.758 174.538 -64.463 -103.585 -64.58 104.616 2.044 105.027 -57.496 -42.537 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 12.9 t -167.08 162.79 15.59 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.253 -0.885 . . . . 29.35 108.64 174.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.28 -29.94 12.52 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.369 -0.832 . . . . 26.56 112.775 174.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 90.6 m -125.77 136.54 53.26 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 108.138 -1.06 . . . . 37.55 108.138 176.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 42.0 t -63.87 132.08 95.13 Favored Pre-proline 0 CA--C 1.532 0.255 0 N-CA-C 108.637 -0.875 . . . . 29.7 108.637 -177.935 -176.311 72.611 91.187 104.831 2.039 106.257 142.016 -77.118 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -72.68 151.45 52.12 Favored 'Trans proline' 0 C--N 1.328 -0.516 0 CA-C-O 121.98 0.742 . . . . 25.53 112.189 -174.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -73.35 141.65 47.06 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 114.627 -1.17 . . . . 47.03 109.808 173.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.81 148.29 22.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.325 0.584 . . . . 32.29 110.551 -177.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -63.7 154.31 33.5 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.479 -0.782 . . . . 36.45 110.096 171.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -55.42 -37.33 67.51 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.781 -0.645 . . . . 41.56 111.662 177.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 49.2 p30 -99.4 16.85 21.77 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 121.79 -0.569 . . . . 30.03 112.434 -179.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.6 -160.45 11.13 Favored Glycine 0 C--N 1.337 0.627 0 N-CA-C 114.837 0.695 . . . . 25.25 114.837 -177.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 9.7 t -161.75 149.82 15.04 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.091 -1.077 . . . . 26.94 108.091 -178.941 -163.808 -94.252 -85.081 105.729 2.055 103.45 -95.286 -162.264 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' VAL . . . . . 0.647 ' N ' ' O ' ' B' ' 203' ' ' HOH . 39.9 t -135.0 141.43 42.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 108.361 -0.977 . . . . 28.0 108.361 -178.409 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -126.02 132.67 51.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.033 -0.53 . . . . 52.57 109.998 170.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 41.8 m -126.75 139.31 53.22 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 122.777 0.431 . . . . 28.4 110.525 -178.312 -77.118 142.016 91.187 106.257 2.039 104.831 72.611 -176.311 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 9.4 p -149.16 166.86 27.57 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 107.127 -1.435 . . . . 34.89 107.127 -174.759 51.424 90.497 84.179 99.365 2.033 100.011 99.92 57.727 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -140.94 46.07 1.77 Allowed 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 113.631 0.975 . . . . 49.12 113.631 -174.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 43.8 p -131.29 170.15 15.0 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.518 -0.919 . . . . 41.48 108.518 164.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -59.12 114.72 2.74 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.683 -0.69 . . . . 53.68 111.258 -166.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' B' ' 2' ' ' THR . 15.4 mtmm 48.09 33.62 3.68 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.747 -0.661 . . . . 67.5 112.189 179.043 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 25.5 p -45.59 -28.55 0.98 Allowed 'General case' 0 C--O 1.238 0.467 0 N-CA-C 112.925 0.713 . . . . 38.1 112.925 163.83 57.727 99.92 84.179 100.011 2.033 99.365 90.497 51.424 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -90.84 34.91 0.9 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.841 0.682 . . . . 44.08 112.841 -169.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 tptt . . . . . 0 N--CA 1.469 0.516 0 O-C-N 121.102 -0.999 . . . . 68.72 112.923 178.229 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' SO4 . . . . . 0.558 ' O2 ' ' O ' ' B' ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . 0.551 ' O ' ' ND2' ' A' ' 52' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . 0.755 ' O ' ' ND2' ' B' ' 27' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . 0.534 ' O ' ' OD1' ' B' ' 27' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . 0.647 ' O ' ' N ' ' B' ' 55' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 18.7 tp . . . . . 0 CA--C 1.518 -0.269 0 CA-C-O 120.676 0.274 . . . . 32.54 110.51 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.9 m -117.8 130.09 56.07 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 108.799 -0.815 . . . . 31.34 108.799 177.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.1 m -128.14 148.37 50.59 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.389 0.676 . . . . 25.56 110.065 -179.011 -55.118 -70.266 -78.077 104.614 2.04 105.074 -57.29 -50.426 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.9 t -67.99 142.04 16.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 CA-C-N 115.866 -0.606 . . . . 27.51 109.496 170.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.6 p -118.71 -29.6 5.34 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 113.946 1.091 . . . . 37.0 113.946 -178.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -151.13 154.64 37.31 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.135 -1.061 . . . . 60.6 108.135 177.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -151.92 119.89 6.22 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 107.995 -1.113 . . . . 36.32 107.995 -177.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.9 t -156.76 124.54 5.48 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.38 0.425 . . . . 35.34 110.221 -175.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 57.59 38.53 27.86 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.577 0.751 . . . . 29.41 111.828 171.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.86 -11.1 73.03 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 115.402 0.921 . . . . 33.83 115.402 175.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -107.93 139.56 15.11 Favored Glycine 0 CA--C 1.517 0.214 0 CA-C-N 118.555 1.178 . . . . 32.25 110.329 -179.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 m -122.36 155.07 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.839 0.828 . . . . 39.94 108.882 178.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.6 mt -120.56 149.28 23.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 107.694 -1.224 . . . . 54.92 107.694 172.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 52.3 p -133.49 173.79 11.11 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.756 0.789 . . . . 34.23 109.013 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -160.92 162.75 32.13 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.188 -1.041 . . . . 36.37 108.188 -175.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -99.65 130.54 45.89 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.433 -0.951 . . . . 58.77 108.433 176.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.0 m -78.61 152.69 31.65 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.571 0.7 . . . . 39.87 110.738 -173.861 -45.978 -61.023 -71.737 104.632 2.035 104.718 -105.376 -57.9 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.76 168.77 2.13 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.871 0.843 . . . . 50.73 110.211 173.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.4 -45.88 73.0 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.252 -0.886 . . . . 49.93 111.627 -173.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.1 7.65 81.66 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 116.259 1.264 . . . . 39.91 116.259 -175.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -101.81 104.22 14.98 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 106.507 -1.664 . . . . 38.17 106.507 177.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -116.89 19.99 14.1 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 113.16 0.8 . . . . 36.27 113.16 -173.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.6 mm -138.83 141.59 36.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 108.778 -0.823 . . . . 40.68 108.778 -178.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 32.9 m -99.0 150.53 21.87 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 108.687 -0.857 . . . . 27.08 108.687 164.742 -50.426 -57.29 -78.077 105.074 2.04 104.614 -70.266 -55.118 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -132.61 153.32 51.16 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.632 0.729 . . . . 28.19 111.659 -178.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -122.88 137.79 54.84 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.827 1.251 . . . . 21.13 108.298 163.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -134.17 114.73 13.41 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.815 -0.439 . . . . 25.38 109.815 -177.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 8.1 m-90 -86.64 109.95 19.52 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 108.763 -0.829 . . . . 29.26 108.763 -179.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -110.48 131.99 54.57 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.498 -0.556 . . . . 43.01 109.498 174.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -82.5 128.15 34.0 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.162 -0.472 . . . . 32.25 111.629 -169.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 82.6 mmm -106.62 -24.12 12.25 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 113.555 0.946 . . . . 49.46 113.555 174.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -177.63 -178.29 47.1 Favored Glycine 0 N--CA 1.441 -0.967 0 N-CA-C 109.205 -1.558 . . . . 29.86 109.205 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -56.75 120.05 7.7 Favored 'Trans proline' 0 N--CA 1.476 0.457 0 CA-C-N 117.751 0.776 . . . . 29.03 110.991 179.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp 64.82 10.66 6.28 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 124.988 1.315 . . . . 42.91 113.07 179.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.3 tp -116.55 114.99 24.91 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.641 -0.874 . . . . 26.55 108.641 -173.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -131.47 135.71 47.34 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 122.773 0.429 . . . . 25.69 111.106 -173.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -97.0 120.44 37.35 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 108.46 -0.941 . . . . 71.44 108.46 170.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.3 t -97.28 112.67 29.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 N-CA-C 108.014 -1.106 . . . . 29.05 108.014 -175.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -84.81 139.71 31.73 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.446 -0.576 . . . . 46.68 109.446 175.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.1 mtt85 -136.6 144.07 43.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.966 -0.561 . . . . 28.33 109.763 -176.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 171.06 -171.89 44.12 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.705 -0.76 . . . . 24.44 111.373 175.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 66.9 m -81.73 157.53 24.53 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 114.417 -0.891 . . . . 30.84 111.119 174.926 -57.9 -105.376 -71.737 104.718 2.035 104.632 -61.023 -45.978 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.9 t -165.5 161.08 18.41 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.291 -0.868 . . . . 24.14 108.985 173.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.01 -31.56 12.09 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.113 -0.949 . . . . 25.36 113.0 176.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.3 m -126.87 136.17 51.97 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.278 -1.008 . . . . 27.74 108.278 175.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 37.3 t -65.67 128.14 93.59 Favored Pre-proline 0 C--O 1.235 0.328 0 N-CA-C 108.927 -0.768 . . . . 27.85 108.927 -177.884 -171.931 70.468 98.863 103.465 2.031 104.162 136.321 -78.912 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.63 151.08 32.04 Favored 'Trans proline' 0 C--N 1.331 -0.364 0 CA-C-O 121.84 0.683 . . . . 23.29 112.469 -175.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 48' ' ' LYS . 6.7 mmtm -75.43 143.48 42.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.79 -1.096 . . . . 56.6 109.791 170.128 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.54 153.68 21.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.247 -0.433 . . . . 23.52 110.596 -175.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -59.99 152.38 23.93 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.188 -0.671 . . . . 38.08 109.188 171.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -50.14 -34.67 23.05 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.793 -0.64 . . . . 42.33 111.766 -178.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -100.51 17.64 21.15 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.96 0.726 . . . . 44.58 112.96 -179.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -121.96 -158.36 10.29 Favored Glycine 0 C--N 1.333 0.401 0 N-CA-C 117.113 1.605 . . . . 32.45 117.113 -175.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.3 t -162.65 150.28 13.76 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.386 -0.968 . . . . 28.94 108.386 178.998 -162.264 -95.286 -85.081 103.45 2.055 105.729 -94.252 -163.808 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.1 t -132.93 138.9 50.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 108.425 -0.954 . . . . 25.53 108.425 -177.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -125.77 131.66 52.45 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.17 -1.048 . . . . 26.12 108.17 171.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 29.0 m -126.31 137.25 53.47 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.246 0.341 . . . . 30.99 110.447 -178.383 -78.912 136.321 98.863 104.162 2.031 103.465 70.468 -171.931 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.7 p -147.01 165.44 29.85 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 107.687 -1.227 . . . . 30.46 107.687 -175.176 47.488 95.127 82.146 101.986 2.019 100.542 103.949 65.767 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -139.17 45.99 1.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 119.626 -0.83 . . . . 28.27 112.24 -176.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 42.8 p -129.94 165.83 21.3 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.215 -0.928 . . . . 29.25 109.286 164.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -61.12 124.15 19.73 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.387 -0.824 . . . . 45.39 110.977 -169.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 50.0 mttt 52.01 26.23 3.63 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.573 1.149 . . . . 33.74 112.907 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 30.3 p -50.71 -30.15 13.11 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 113.343 0.868 . . . . 28.13 113.343 166.826 65.767 103.949 82.146 100.542 2.019 101.986 95.127 47.488 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -91.82 36.64 0.96 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.95 0.722 . . . . 25.71 112.95 -170.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt . . . . . 0 N--CA 1.469 0.506 0 N-CA-C 114.026 1.121 . . . . 43.65 114.026 -179.751 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 20.4 tp . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.973 0.416 . . . . 35.86 110.893 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' THR . . . . . 0.417 ' O ' ' N ' ' B' ' 62' ' ' LYS . 8.8 m -118.86 130.4 55.73 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.784 -0.821 . . . . 45.66 108.784 177.655 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 59.2 m -127.43 148.14 50.29 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.337 0.589 . . . . 35.16 109.922 -179.311 -55.158 -68.433 -74.269 106.359 2.043 104.189 -61.321 -47.852 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.47 144.45 14.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.514 0 CA-C-N 115.35 -0.841 . . . . 41.17 109.999 172.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 34.3 p -118.87 -29.36 5.34 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 114.133 1.16 . . . . 55.4 114.133 179.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.143 0 CA-C-N 118.836 0.744 . . . . 50.97 112.189 -179.257 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.177 0 N-CA-C 109.448 -0.575 . . . . 61.91 109.448 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.5 p -135.47 172.86 12.4 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.278 0.561 . . . . 62.09 109.539 -178.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . . . -161.58 162.14 30.03 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.01 -0.541 . . . . 57.3 109.653 -176.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -102.39 132.84 48.13 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.212 -0.903 . . . . 60.42 109.815 176.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 5.8 m -78.75 155.68 29.23 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.848 0.832 . . . . 41.38 112.856 -171.719 -42.537 -57.496 -64.58 105.027 2.044 104.616 -103.585 -64.463 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.66 170.61 0.75 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 114.876 -1.056 . . . . 47.08 111.19 175.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.14 -49.59 66.25 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 114.765 -1.107 . . . . 54.16 112.332 -169.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.8 9.4 76.91 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 116.243 1.257 . . . . 47.08 116.243 -176.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -98.15 107.53 20.03 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.995 1.398 . . . . 40.19 109.994 -175.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -116.79 22.2 12.83 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.043 0.537 . . . . 44.86 112.437 -176.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 80.1 mt -138.12 139.01 42.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 118.345 0.52 . . . . 31.41 109.631 -178.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 20.0 m -101.14 149.58 23.83 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 124.668 1.187 . . . . 32.22 108.638 163.999 -47.852 -61.321 -74.269 104.189 2.043 106.359 -68.433 -55.158 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -132.68 153.68 50.88 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.289 0.566 . . . . 31.61 111.798 -178.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -122.15 135.99 54.85 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 124.661 1.184 . . . . 25.94 108.143 162.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ASN . . . . . 0.752 ' ND2' ' O ' ' B' ' 201' ' ' HOH . 36.5 t-20 -133.37 116.06 15.61 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 110.248 -0.278 . . . . 53.42 110.248 -176.573 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 9.4 m-90 -85.74 109.86 18.92 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.968 -0.753 . . . . 32.41 108.968 -179.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -107.99 129.97 55.08 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.829 -0.804 . . . . 36.23 108.829 175.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -82.33 129.05 34.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.126 -0.488 . . . . 27.37 110.372 -170.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 56.4 mtm -103.48 -26.28 12.92 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 112.241 0.46 . . . . 29.52 112.241 173.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 179.56 -176.7 47.83 Favored Glycine 0 N--CA 1.441 -1.033 0 N-CA-C 108.709 -1.756 . . . . 24.3 108.709 177.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -55.58 123.71 14.49 Favored 'Trans proline' 0 N--CA 1.474 0.333 0 CA-C-N 117.256 0.528 . . . . 20.53 111.314 178.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt 66.75 5.15 3.77 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 126.163 1.785 . . . . 36.23 113.459 179.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 12.5 mt -117.37 114.67 23.89 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 108.858 -0.793 . . . . 26.64 108.858 -172.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -130.68 134.61 47.08 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.651 -0.5 . . . . 27.68 109.651 -175.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -94.45 119.02 32.53 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 108.914 -0.772 . . . . 39.66 108.914 173.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 47.7 t -97.49 112.17 28.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 N-CA-C 109.038 -0.727 . . . . 36.71 109.038 -172.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -88.87 141.22 28.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.937 0.399 . . . . 44.39 111.018 174.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 31.3 mtt85 -137.79 143.2 40.96 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 108.984 -0.747 . . . . 32.36 108.984 -178.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 170.14 -172.37 43.88 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.302 -0.951 . . . . 30.2 111.462 174.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 85.3 m -81.97 158.8 23.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.167 -1.017 . . . . 35.65 110.758 174.538 -64.463 -103.585 -64.58 104.616 2.044 105.027 -57.496 -42.537 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 12.9 t -167.08 162.79 15.59 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.253 -0.885 . . . . 29.35 108.64 174.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.28 -29.94 12.52 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.369 -0.832 . . . . 26.56 112.775 174.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 90.6 m -125.77 136.54 53.26 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 108.138 -1.06 . . . . 37.55 108.138 176.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 42.0 t -63.87 132.08 95.13 Favored Pre-proline 0 CA--C 1.532 0.255 0 N-CA-C 108.637 -0.875 . . . . 29.7 108.637 -177.935 -176.311 72.611 91.187 104.831 2.039 106.257 142.016 -77.118 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -72.68 151.45 52.12 Favored 'Trans proline' 0 C--N 1.328 -0.516 0 CA-C-O 121.98 0.742 . . . . 25.53 112.189 -174.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -73.35 141.65 47.06 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 114.627 -1.17 . . . . 47.03 109.808 173.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.81 148.29 22.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.325 0.584 . . . . 32.29 110.551 -177.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -63.7 154.31 33.5 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.479 -0.782 . . . . 36.45 110.096 171.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -55.42 -37.33 67.51 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.781 -0.645 . . . . 41.56 111.662 177.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 49.2 p30 -99.4 16.85 21.77 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 121.79 -0.569 . . . . 30.03 112.434 -179.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.6 -160.45 11.13 Favored Glycine 0 C--N 1.337 0.627 0 N-CA-C 114.837 0.695 . . . . 25.25 114.837 -177.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 9.7 t -161.75 149.82 15.04 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.091 -1.077 . . . . 26.94 108.091 -178.941 -163.808 -94.252 -85.081 105.729 2.055 103.45 -95.286 -162.264 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 39.9 t -135.0 141.43 42.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 108.361 -0.977 . . . . 28.0 108.361 -178.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -126.02 132.67 51.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.033 -0.53 . . . . 52.57 109.998 170.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 41.8 m -126.75 139.31 53.22 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 122.777 0.431 . . . . 28.4 110.525 -178.312 -77.118 142.016 91.187 106.257 2.039 104.831 72.611 -176.311 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 9.4 p -149.16 166.86 27.57 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 107.127 -1.435 . . . . 34.89 107.127 -174.759 51.424 90.497 84.179 99.365 2.033 100.011 99.92 57.727 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -140.94 46.07 1.77 Allowed 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 113.631 0.975 . . . . 49.12 113.631 -174.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 43.8 p -131.29 170.15 15.0 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.518 -0.919 . . . . 41.48 108.518 164.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -59.12 114.72 2.74 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.683 -0.69 . . . . 53.68 111.258 -166.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' B' ' 2' ' ' THR . 15.4 mtmm 48.09 33.62 3.68 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.747 -0.661 . . . . 67.5 112.189 179.043 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 25.5 p -45.59 -28.55 0.98 Allowed 'General case' 0 C--O 1.238 0.467 0 N-CA-C 112.925 0.713 . . . . 38.1 112.925 163.83 57.727 99.92 84.179 100.011 2.033 99.365 90.497 51.424 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -90.84 34.91 0.9 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.841 0.682 . . . . 44.08 112.841 -169.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 tptt . . . . . 0 N--CA 1.469 0.516 0 O-C-N 121.102 -0.999 . . . . 68.72 112.923 178.229 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' SO4 . . . . . 0.558 ' O2 ' ' O ' ' B' ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . 0.752 ' O ' ' ND2' ' B' ' 27' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . 0.534 ' O ' ' OD1' ' B' ' 27' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 18.7 tp . . . . . 0 CA--C 1.518 -0.269 0 CA-C-O 120.676 0.274 . . . . 32.54 110.51 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.9 m -117.8 130.09 56.07 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 108.799 -0.815 . . . . 31.34 108.799 177.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.1 m -128.14 148.37 50.59 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.389 0.676 . . . . 25.56 110.065 -179.011 -55.118 -70.266 -78.077 104.614 2.04 105.074 -57.29 -50.426 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.9 t -67.99 142.04 16.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.534 0 CA-C-N 115.866 -0.606 . . . . 27.51 109.496 170.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.6 p -118.71 -29.6 5.34 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 113.946 1.091 . . . . 37.0 113.946 -178.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -151.13 154.64 37.31 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.135 -1.061 . . . . 60.6 108.135 177.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -151.92 119.89 6.22 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 107.995 -1.113 . . . . 36.32 107.995 -177.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.9 t -156.76 124.54 5.48 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.38 0.425 . . . . 35.34 110.221 -175.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 57.59 38.53 27.86 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.577 0.751 . . . . 29.41 111.828 171.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.86 -11.1 73.03 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 115.402 0.921 . . . . 33.83 115.402 175.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -107.93 139.56 15.11 Favored Glycine 0 CA--C 1.517 0.214 0 CA-C-N 118.555 1.178 . . . . 32.25 110.329 -179.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.9 m -122.36 155.07 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.839 0.828 . . . . 39.94 108.882 178.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.6 mt -120.56 149.28 23.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 107.694 -1.224 . . . . 54.92 107.694 172.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 52.3 p -133.49 173.79 11.11 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.756 0.789 . . . . 34.23 109.013 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -160.92 162.75 32.13 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.188 -1.041 . . . . 36.37 108.188 -175.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -99.65 130.54 45.89 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.433 -0.951 . . . . 58.77 108.433 176.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.0 m -78.61 152.69 31.65 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.571 0.7 . . . . 39.87 110.738 -173.861 -45.978 -61.023 -71.737 104.632 2.035 104.718 -105.376 -57.9 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.76 168.77 2.13 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.871 0.843 . . . . 50.73 110.211 173.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.4 -45.88 73.0 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.252 -0.886 . . . . 49.93 111.627 -173.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.1 7.65 81.66 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 116.259 1.264 . . . . 39.91 116.259 -175.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -101.81 104.22 14.98 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 106.507 -1.664 . . . . 38.17 106.507 177.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -116.89 19.99 14.1 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 113.16 0.8 . . . . 36.27 113.16 -173.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.6 mm -138.83 141.59 36.4 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 108.778 -0.823 . . . . 40.68 108.778 -178.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 32.9 m -99.0 150.53 21.87 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 108.687 -0.857 . . . . 27.08 108.687 164.742 -50.426 -57.29 -78.077 105.074 2.04 104.614 -70.266 -55.118 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -132.61 153.32 51.16 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.632 0.729 . . . . 28.19 111.659 -178.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -122.88 137.79 54.84 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.827 1.251 . . . . 21.13 108.298 163.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -134.17 114.73 13.41 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.815 -0.439 . . . . 25.38 109.815 -177.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 8.1 m-90 -86.64 109.95 19.52 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 108.763 -0.829 . . . . 29.26 108.763 -179.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -110.48 131.99 54.57 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.498 -0.556 . . . . 43.01 109.498 174.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -82.5 128.15 34.0 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.162 -0.472 . . . . 32.25 111.629 -169.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 82.6 mmm -106.62 -24.12 12.25 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 113.555 0.946 . . . . 49.46 113.555 174.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -177.63 -178.29 47.1 Favored Glycine 0 N--CA 1.441 -0.967 0 N-CA-C 109.205 -1.558 . . . . 29.86 109.205 178.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -56.75 120.05 7.7 Favored 'Trans proline' 0 N--CA 1.476 0.457 0 CA-C-N 117.751 0.776 . . . . 29.03 110.991 179.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp 64.82 10.66 6.28 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 124.988 1.315 . . . . 42.91 113.07 179.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.3 tp -116.55 114.99 24.91 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.641 -0.874 . . . . 26.55 108.641 -173.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -131.47 135.71 47.34 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 122.773 0.429 . . . . 25.69 111.106 -173.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -97.0 120.44 37.35 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 108.46 -0.941 . . . . 71.44 108.46 170.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.3 t -97.28 112.67 29.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 N-CA-C 108.014 -1.106 . . . . 29.05 108.014 -175.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -84.81 139.71 31.73 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.446 -0.576 . . . . 46.68 109.446 175.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.1 mtt85 -136.6 144.07 43.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.966 -0.561 . . . . 28.33 109.763 -176.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 171.06 -171.89 44.12 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.705 -0.76 . . . . 24.44 111.373 175.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 66.9 m -81.73 157.53 24.53 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 114.417 -0.891 . . . . 30.84 111.119 174.926 -57.9 -105.376 -71.737 104.718 2.035 104.632 -61.023 -45.978 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.9 t -165.5 161.08 18.41 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.291 -0.868 . . . . 24.14 108.985 173.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.01 -31.56 12.09 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-N 115.113 -0.949 . . . . 25.36 113.0 176.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.3 m -126.87 136.17 51.97 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.278 -1.008 . . . . 27.74 108.278 175.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 37.3 t -65.67 128.14 93.59 Favored Pre-proline 0 C--O 1.235 0.328 0 N-CA-C 108.927 -0.768 . . . . 27.85 108.927 -177.884 -171.931 70.468 98.863 103.465 2.031 104.162 136.321 -78.912 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.63 151.08 32.04 Favored 'Trans proline' 0 C--N 1.331 -0.364 0 CA-C-O 121.84 0.683 . . . . 23.29 112.469 -175.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 48' ' ' LYS . 6.7 mmtm -75.43 143.48 42.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 114.79 -1.096 . . . . 56.6 109.791 170.128 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.54 153.68 21.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.247 -0.433 . . . . 23.52 110.596 -175.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -59.99 152.38 23.93 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.188 -0.671 . . . . 38.08 109.188 171.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -50.14 -34.67 23.05 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.793 -0.64 . . . . 42.33 111.766 -178.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -100.51 17.64 21.15 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.96 0.726 . . . . 44.58 112.96 -179.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -121.96 -158.36 10.29 Favored Glycine 0 C--N 1.333 0.401 0 N-CA-C 117.113 1.605 . . . . 32.45 117.113 -175.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.3 t -162.65 150.28 13.76 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.386 -0.968 . . . . 28.94 108.386 178.998 -162.264 -95.286 -85.081 103.45 2.055 105.729 -94.252 -163.808 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.1 t -132.93 138.9 50.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 108.425 -0.954 . . . . 25.53 108.425 -177.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -125.77 131.66 52.45 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.17 -1.048 . . . . 26.12 108.17 171.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 29.0 m -126.31 137.25 53.47 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.246 0.341 . . . . 30.99 110.447 -178.383 -78.912 136.321 98.863 104.162 2.031 103.465 70.468 -171.931 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 5.7 p -147.01 165.44 29.85 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 107.687 -1.227 . . . . 30.46 107.687 -175.176 47.488 95.127 82.146 101.986 2.019 100.542 103.949 65.767 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -139.17 45.99 1.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 119.626 -0.83 . . . . 28.27 112.24 -176.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 42.8 p -129.94 165.83 21.3 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.215 -0.928 . . . . 29.25 109.286 164.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -61.12 124.15 19.73 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.387 -0.824 . . . . 45.39 110.977 -169.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 50.0 mttt 52.01 26.23 3.63 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.573 1.149 . . . . 33.74 112.907 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 30.3 p -50.71 -30.15 13.11 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 113.343 0.868 . . . . 28.13 113.343 166.826 65.767 103.949 82.146 100.542 2.019 101.986 95.127 47.488 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -91.82 36.64 0.96 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.95 0.722 . . . . 25.71 112.95 -170.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt . . . . . 0 N--CA 1.469 0.506 0 N-CA-C 114.026 1.121 . . . . 43.65 114.026 -179.751 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 20.4 tp . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.973 0.416 . . . . 35.86 110.893 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' THR . . . . . 0.417 ' O ' ' N ' ' B' ' 62' ' ' LYS . 8.8 m -118.86 130.4 55.73 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.784 -0.821 . . . . 45.66 108.784 177.655 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 59.2 m -127.43 148.14 50.29 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.337 0.589 . . . . 35.16 109.922 -179.311 -55.158 -68.433 -74.269 106.359 2.043 104.189 -61.321 -47.852 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.47 144.45 14.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.514 0 CA-C-N 115.35 -0.841 . . . . 41.17 109.999 172.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 34.3 p -118.87 -29.36 5.34 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 114.133 1.16 . . . . 55.4 114.133 179.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.143 0 CA-C-N 118.836 0.744 . . . . 50.97 112.189 -179.257 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.177 0 N-CA-C 109.448 -0.575 . . . . 61.91 109.448 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.5 p -135.47 172.86 12.4 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.278 0.561 . . . . 62.09 109.539 -178.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . . . -161.58 162.14 30.03 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.01 -0.541 . . . . 57.3 109.653 -176.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -102.39 132.84 48.13 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.212 -0.903 . . . . 60.42 109.815 176.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 5.8 m -78.75 155.68 29.23 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.848 0.832 . . . . 41.38 112.856 -171.719 -42.537 -57.496 -64.58 105.027 2.044 104.616 -103.585 -64.463 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.66 170.61 0.75 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 114.876 -1.056 . . . . 47.08 111.19 175.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.14 -49.59 66.25 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 114.765 -1.107 . . . . 54.16 112.332 -169.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -91.8 9.4 76.91 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 116.243 1.257 . . . . 47.08 116.243 -176.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -98.15 107.53 20.03 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.995 1.398 . . . . 40.19 109.994 -175.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -116.79 22.2 12.83 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.043 0.537 . . . . 44.86 112.437 -176.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 80.1 mt -138.12 139.01 42.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 118.345 0.52 . . . . 31.41 109.631 -178.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' CYS . . . . . . . . . . . . . 20.0 m -101.14 149.58 23.83 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 124.668 1.187 . . . . 32.22 108.638 163.999 -47.852 -61.321 -74.269 104.189 2.043 106.359 -68.433 -55.158 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -132.68 153.68 50.88 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.289 0.566 . . . . 31.61 111.798 -178.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -122.15 135.99 54.85 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 124.661 1.184 . . . . 25.94 108.143 162.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.752 ' ND2' ' O ' ' B' ' 201' ' ' HOH . 36.5 t-20 -133.37 116.06 15.61 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 110.248 -0.278 . . . . 53.42 110.248 -176.573 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' TRP . . . . . . . . . . . . . 9.4 m-90 -85.74 109.86 18.92 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.968 -0.753 . . . . 32.41 108.968 -179.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -107.99 129.97 55.08 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.829 -0.804 . . . . 36.23 108.829 175.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -82.33 129.05 34.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.126 -0.488 . . . . 27.37 110.372 -170.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 56.4 mtm -103.48 -26.28 12.92 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 112.241 0.46 . . . . 29.52 112.241 173.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 179.56 -176.7 47.83 Favored Glycine 0 N--CA 1.441 -1.033 0 N-CA-C 108.709 -1.756 . . . . 24.3 108.709 177.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -55.58 123.71 14.49 Favored 'Trans proline' 0 N--CA 1.474 0.333 0 CA-C-N 117.256 0.528 . . . . 20.53 111.314 178.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt 66.75 5.15 3.77 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 126.163 1.785 . . . . 36.23 113.459 179.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 12.5 mt -117.37 114.67 23.89 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 108.858 -0.793 . . . . 26.64 108.858 -172.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -130.68 134.61 47.08 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.651 -0.5 . . . . 27.68 109.651 -175.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -94.45 119.02 32.53 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 108.914 -0.772 . . . . 39.66 108.914 173.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 47.7 t -97.49 112.17 28.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 N-CA-C 109.038 -0.727 . . . . 36.71 109.038 -172.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -88.87 141.22 28.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.937 0.399 . . . . 44.39 111.018 174.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 31.3 mtt85 -137.79 143.2 40.96 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 108.984 -0.747 . . . . 32.36 108.984 -178.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 170.14 -172.37 43.88 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.302 -0.951 . . . . 30.2 111.462 174.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 85.3 m -81.97 158.8 23.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.167 -1.017 . . . . 35.65 110.758 174.538 -64.463 -103.585 -64.58 104.616 2.044 105.027 -57.496 -42.537 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 12.9 t -167.08 162.79 15.59 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.253 -0.885 . . . . 29.35 108.64 174.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.28 -29.94 12.52 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.369 -0.832 . . . . 26.56 112.775 174.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 90.6 m -125.77 136.54 53.26 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 108.138 -1.06 . . . . 37.55 108.138 176.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' CYS . . . . . . . . . . . . . 42.0 t -63.87 132.08 95.13 Favored Pre-proline 0 CA--C 1.532 0.255 0 N-CA-C 108.637 -0.875 . . . . 29.7 108.637 -177.935 -176.311 72.611 91.187 104.831 2.039 106.257 142.016 -77.118 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -72.68 151.45 52.12 Favored 'Trans proline' 0 C--N 1.328 -0.516 0 CA-C-O 121.98 0.742 . . . . 25.53 112.189 -174.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -73.35 141.65 47.06 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 114.627 -1.17 . . . . 47.03 109.808 173.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.81 148.29 22.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.325 0.584 . . . . 32.29 110.551 -177.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -63.7 154.31 33.5 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.479 -0.782 . . . . 36.45 110.096 171.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -55.42 -37.33 67.51 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.781 -0.645 . . . . 41.56 111.662 177.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 49.2 p30 -99.4 16.85 21.77 Favored 'General case' 0 C--O 1.239 0.503 0 O-C-N 121.79 -0.569 . . . . 30.03 112.434 -179.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -120.6 -160.45 11.13 Favored Glycine 0 C--N 1.337 0.627 0 N-CA-C 114.837 0.695 . . . . 25.25 114.837 -177.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 9.7 t -161.75 149.82 15.04 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.091 -1.077 . . . . 26.94 108.091 -178.941 -163.808 -94.252 -85.081 105.729 2.055 103.45 -95.286 -162.264 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 39.9 t -135.0 141.43 42.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 108.361 -0.977 . . . . 28.0 108.361 -178.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -126.02 132.67 51.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.033 -0.53 . . . . 52.57 109.998 170.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 41.8 m -126.75 139.31 53.22 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 122.777 0.431 . . . . 28.4 110.525 -178.312 -77.118 142.016 91.187 106.257 2.039 104.831 72.611 -176.311 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 9.4 p -149.16 166.86 27.57 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 107.127 -1.435 . . . . 34.89 107.127 -174.759 51.424 90.497 84.179 99.365 2.033 100.011 99.92 57.727 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -140.94 46.07 1.77 Allowed 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 113.631 0.975 . . . . 49.12 113.631 -174.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' THR . . . . . . . . . . . . . 43.8 p -131.29 170.15 15.0 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.518 -0.919 . . . . 41.48 108.518 164.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -59.12 114.72 2.74 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.683 -0.69 . . . . 53.68 111.258 -166.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' B' ' 2' ' ' THR . 15.4 mtmm 48.09 33.62 3.68 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.747 -0.661 . . . . 67.5 112.189 179.043 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' CYS . . . . . . . . . . . . . 25.5 p -45.59 -28.55 0.98 Allowed 'General case' 0 C--O 1.238 0.467 0 N-CA-C 112.925 0.713 . . . . 38.1 112.925 163.83 57.727 99.92 84.179 100.011 2.033 99.365 90.497 51.424 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -90.84 34.91 0.9 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.841 0.682 . . . . 44.08 112.841 -169.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 tptt . . . . . 0 N--CA 1.469 0.516 0 O-C-N 121.102 -0.999 . . . . 68.72 112.923 178.229 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' SO4 . . . . . 0.558 ' O2 ' ' O ' ' B' ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . 0.752 ' O ' ' ND2' ' B' ' 27' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . 0.534 ' O ' ' OD1' ' B' ' 27' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_