data_1tsj_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1tsj _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' MET . . . . . 1.457 ' SD ' ' CE ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.513 2.682 0 CA-C-O 124.418 2.056 . . . . 66.62 109.58 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -114.57 125.35 53.68 Favored 'General case' 0 C--N 1.307 -1.266 0 C-N-CA 116.23 -2.188 . . . . 63.93 109.493 -172.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ILE . . . . . 0.4 ' CD1' ' CE ' ' A' ' 62' ' ' MSE . 9.8 pt -102.99 143.2 26.13 Favored Pre-proline 0 CA--C 1.475 -1.925 0 N-CA-C 102.948 -2.982 . . . . 43.24 102.948 -162.774 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -65.5 156.4 63.79 Favored 'Trans proline' 0 N--CA 1.428 -2.375 0 N-CA-C 114.281 0.839 . . . . 29.63 114.281 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . 0.283 . . -49.07 -39.52 28.13 Favored 'General case' 0 C--O 1.189 -2.104 0 CA-C-O 117.048 -1.453 . . . . 18.95 108.205 175.751 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.5 mt -125.59 115.08 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 C-N-CA 124.679 1.192 . . . . 22.85 111.081 178.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.0 m -109.17 132.27 54.27 Favored 'General case' 0 C--O 1.191 -2.011 0 C-N-CA 124.37 1.068 . . . . 18.71 109.619 -178.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.3 m -75.69 133.34 40.82 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 104.129 -2.545 . . . . 19.3 104.129 174.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -122.15 116.78 24.8 Favored 'General case' 0 C--O 1.294 3.429 0 CA-C-O 123.194 1.473 . . . . 28.74 107.866 -168.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 1.4 mp -106.08 132.99 51.5 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-N 114.286 -1.324 . . . . 34.47 111.143 -179.155 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' MSE . . . . . 1.394 ' CE ' 'SE ' ' A' ' 11' ' ' MSE . 38.0 mtp -119.38 125.63 49.47 Favored 'General case' 0 CA--C 1.463 -2.374 0 CA-C-N 113.561 -1.654 . . . . 63.67 106.991 -177.717 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -117.2 174.7 5.97 Favored 'General case' 0 C--O 1.287 3.052 0 O-C-N 125.109 1.505 . . . . 41.62 113.168 179.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -71.32 -75.84 0.12 Allowed 'General case' 0 C--O 1.291 3.281 0 CA-C-N 114.588 -1.187 . . . . 61.2 111.436 -177.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -145.8 61.63 1.26 Allowed 'General case' 0 CA--C 1.463 -2.403 0 N-CA-C 102.186 -3.264 . . . . 53.28 102.186 159.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 162' ' ' HOH . 37.5 mt-30 -135.69 18.91 3.3 Favored 'General case' 0 N--CA 1.418 -2.074 0 CA-C-N 113.571 -1.65 . . . . 54.69 112.647 -169.757 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.72 -45.62 51.03 Favored 'General case' 0 C--O 1.184 -2.356 0 C-N-CA 118.275 -1.37 . . . . 37.23 111.0 -171.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.52 -42.58 83.11 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 113.839 1.052 . . . . 51.01 113.839 179.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.05 -50.66 71.12 Favored 'General case' 0 CA--C 1.563 1.476 0 N-CA-C 116.138 1.903 . . . . 49.51 116.138 169.054 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.78 -57.88 9.8 Favored 'General case' 0 C--N 1.367 1.353 0 N-CA-C 108.583 -0.895 . . . . 24.04 108.583 178.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.1 t -47.34 -48.84 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 114.259 1.207 . . . . 19.9 114.259 174.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -59.52 -35.05 73.44 Favored 'General case' 0 N--CA 1.502 2.163 0 C-N-CA 124.631 1.172 . . . . 40.38 110.533 -176.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.2 tp -72.17 -45.34 60.82 Favored 'General case' 0 C--O 1.293 3.354 0 CA-C-N 112.166 -2.288 . . . . 31.92 113.007 179.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -79.47 -40.55 29.53 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 115.543 -2.463 . . . . 27.11 112.406 -174.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -49.95 -44.34 50.58 Favored 'General case' 0 C--O 1.203 -1.348 0 CA-C-N 113.596 -1.638 . . . . 34.37 110.102 173.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.8 m -68.58 -43.04 77.38 Favored 'General case' 0 N--CA 1.514 2.728 0 C-N-CA 125.312 1.445 . . . . 30.58 111.958 -177.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.3 mt -71.92 -43.85 64.62 Favored 'General case' 0 C--O 1.188 -2.145 0 N-CA-C 120.973 3.694 . . . . 33.17 120.973 176.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -89.76 151.88 21.59 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 104.28 -2.489 . . . . 32.01 104.28 -171.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' SER . 26.2 mt-10 -74.97 -86.44 0.04 OUTLIER 'General case' 1 N--CA 1.363 -4.819 0 O-C-N 124.63 1.206 . . . . 51.78 111.342 -166.994 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -79.17 64.54 4.1 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 118.285 -1.366 . . . . 47.91 107.352 -158.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 28' ' ' GLU . 24.4 p -132.93 157.75 44.35 Favored 'General case' 1 C--O 1.128 -5.334 0 O-C-N 120.005 -1.684 . . . . 31.23 112.314 -164.082 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -170.25 139.64 1.78 Allowed 'General case' 0 C--O 1.194 -1.847 0 O-C-N 118.54 -2.6 . . . . 38.32 110.953 -165.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.7 mt -75.1 112.38 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.194 0 O-C-N 120.446 -1.408 . . . . 25.92 109.639 170.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . 0.39 0.5 OUTLIER -89.35 -20.02 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.259 0 C-N-CA 116.095 -2.242 . . . . 33.52 114.905 175.996 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 m -163.22 124.48 2.41 Favored 'General case' 0 C--O 1.25 1.088 0 O-C-N 117.428 -3.295 . . . . 33.31 103.582 -170.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' MSE . . . . . . . . . . . . . 0.1 OUTLIER -133.39 130.19 38.41 Favored 'General case' 0 N--CA 1.382 -3.844 0 CA-C-N 114.549 -1.205 . . . . 52.99 113.187 163.015 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.86 127.28 43.16 Favored 'General case' 0 CA--C 1.478 -1.794 0 N-CA-C 107.795 -1.187 . . . . 38.93 107.795 174.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -96.15 161.54 13.92 Favored 'General case' 0 C--O 1.263 1.792 0 O-C-N 124.986 1.428 . . . . 48.15 112.728 177.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -75.55 131.86 40.32 Favored 'General case' 0 C--O 1.264 1.851 0 N-CA-C 116.406 2.002 . . . . 51.65 116.406 169.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.084 0 C-N-CA 125.444 1.497 . . . . 49.97 113.013 -178.261 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.255 36.5 m-20 . . . . . 0 C--O 1.282 2.809 0 CA-C-O 123.817 1.77 . . . . 59.01 109.224 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -77.14 142.76 21.99 Favored 'Trans proline' 0 CA--C 1.477 -2.365 0 CA-C-N 114.048 -1.09 . . . . 55.22 111.294 -167.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.82 -19.94 38.56 Favored Glycine 0 C--O 1.257 1.574 0 C-N-CA 118.958 -1.592 . . . . 49.78 109.3 -178.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' THR . . . . . 0.452 ' CG2' ' N ' ' A' ' 49' ' ' VAL . 55.0 m -68.35 155.27 40.14 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 117.73 2.493 . . . . 46.02 117.73 168.549 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' VAL . . . . . 0.452 ' N ' ' CG2' ' A' ' 48' ' ' THR . 77.1 t -77.91 132.54 32.33 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.267 0 N-CA-C 109.286 -0.635 . . . . 38.68 109.286 -179.008 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -100.86 -38.32 8.3 Favored 'General case' 0 CA--C 1.47 -2.132 0 N-CA-C 106.519 -1.66 . . . . 55.69 106.519 175.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -152.8 124.95 8.03 Favored 'General case' 0 N--CA 1.412 -2.339 0 C-N-CA 116.715 -1.994 . . . . 54.91 105.648 -175.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 t -132.0 139.79 48.73 Favored 'General case' 0 C--O 1.173 -2.951 0 C-N-CA 124.188 0.995 . . . . 35.61 109.322 169.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 81.4 mt -127.36 123.97 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.03 0 N-CA-C 106.361 -1.718 . . . . 27.06 106.361 168.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -135.86 165.21 26.16 Favored 'General case' 0 N--CA 1.421 -1.907 0 CA-C-O 122.765 1.269 . . . . 21.26 109.744 -178.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.1 m -108.11 147.89 30.61 Favored 'General case' 0 C--N 1.288 -2.094 0 C-N-CA 125.306 1.442 . . . . 27.48 112.232 175.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.0 mt -141.56 116.39 9.8 Favored 'General case' 0 C--O 1.249 1.043 0 N-CA-C 102.465 -3.161 . . . . 24.59 102.465 169.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 53.51 38.87 29.1 Favored 'General case' 1 C--O 1.141 -4.606 0 O-C-N 124.793 1.308 . . . . 41.47 113.127 -173.735 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.59 8.37 76.27 Favored Glycine 0 C--N 1.294 -1.801 0 N-CA-C 115.575 0.99 . . . . 26.88 115.575 -178.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -106.71 134.5 49.77 Favored 'General case' 0 C--O 1.257 1.489 0 CA-C-O 121.619 0.723 . . . . 24.91 109.419 178.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.9 t -77.88 120.66 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.457 0 N-CA-C 118.79 2.885 . . . . 19.41 118.79 179.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -120.6 168.57 11.23 Favored 'General case' 0 N--CA 1.392 -3.36 0 CA-C-N 112.937 -1.938 . . . . 16.29 108.283 178.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' MSE . . . . . 1.418 ' CE ' 'SE ' ' A' ' 62' ' ' MSE . 67.4 mtt -138.07 149.87 46.38 Favored 'General case' 0 N--CA 1.418 -2.049 0 O-C-N 120.423 -1.423 . . . . 44.39 107.913 172.139 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -139.92 148.77 42.46 Favored 'General case' 0 CA--C 1.561 1.371 0 N-CA-C 108.374 -0.973 . . . . 20.86 108.374 173.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.6 pt -137.61 170.34 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.05 0 N-CA-C 115.578 1.696 . . . . 25.49 115.578 164.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 148' ' ' HOH 0.308 . . . . . . . 0 CA--C 1.624 3.825 0 C-N-CA 125.596 1.559 . . . . 30.99 113.767 -178.786 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo . . . . . 1 CA--C 1.624 5.017 0 CA-C-O 124.524 1.802 . . . . 52.73 109.286 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ILE . . . . . 0.566 ' CG1' ' O ' ' A' ' 78' ' ' ILE . 2.7 tt -145.04 42.52 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.251 1.163 0 N-CA-C 104.461 -2.422 . . . . 50.44 104.461 171.569 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.8 p -46.85 -179.87 0.0 OUTLIER 'General case' 0 C--O 1.204 -1.32 1 N-CA-C 125.752 5.464 . . . . 37.57 125.752 178.859 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 80.1 mt -115.87 125.58 52.82 Favored 'General case' 0 C--O 1.153 -3.978 0 CA-C-N 114.003 -1.453 . . . . 29.49 109.535 175.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -110.13 109.91 20.6 Favored 'General case' 0 N--CA 1.38 -3.94 0 N-CA-C 102.842 -3.021 . . . . 15.81 102.842 -167.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 128' ' ' GLN . 17.3 t -102.13 113.41 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.369 0 CA-C-N 111.842 -2.435 . . . . 16.33 113.319 -178.76 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 92.3 m -76.13 105.63 7.28 Favored 'General case' 0 C--O 1.271 2.193 0 CA-C-N 111.866 -2.424 . . . . 27.0 114.626 163.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 84.5 t -84.7 141.79 14.17 Favored 'Isoleucine or valine' 0 C--O 1.273 2.291 0 CA-C-N 112.37 -2.196 . . . . 34.81 108.132 -173.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . . . -78.03 -26.48 48.44 Favored 'General case' 1 N--CA 1.543 4.203 0 O-C-N 125.561 1.788 . . . . 39.42 112.929 179.477 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . 0.252 78.2 m-20 -163.1 161.78 25.38 Favored 'General case' 0 C--O 1.273 2.323 0 N-CA-C 106.589 -1.634 . . . . 62.79 106.589 -160.396 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . . . -52.84 -39.42 62.48 Favored 'General case' 0 N--CA 1.513 2.703 0 O-C-N 125.578 1.799 . . . . 42.4 109.669 166.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.5 mp -70.46 -47.61 64.6 Favored 'Isoleucine or valine' 0 C--O 1.275 2.445 0 N-CA-C 118.16 2.652 . . . . 48.57 118.16 -178.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . . . -45.09 -56.8 4.37 Favored 'General case' 0 C--O 1.189 -2.124 0 C-N-CA 127.578 2.351 . . . . 38.54 109.156 160.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' MSE . . . . . . . . . . . . . 0.0 OUTLIER -46.07 -50.04 15.68 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 120.006 3.336 . . . . 55.52 120.006 169.966 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.95 -59.53 4.76 Favored 'General case' 0 CA--C 1.486 -1.509 0 O-C-N 124.484 1.115 . . . . 51.9 113.629 178.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.4 mtt85 -48.87 -53.36 19.77 Favored 'General case' 0 C--O 1.248 1.0 0 N-CA-C 118.607 2.817 . . . . 58.44 118.607 173.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.9 mp -70.73 -41.66 71.56 Favored 'General case' 0 C--O 1.282 2.782 0 O-C-N 120.814 -1.179 . . . . 31.99 108.144 -176.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -55.99 -59.27 5.14 Favored 'General case' 0 N--CA 1.433 -1.295 0 CA-C-O 122.793 1.282 . . . . 26.77 108.735 -179.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -62.28 -35.52 79.25 Favored 'General case' 0 C--O 1.203 -1.386 0 CA-C-O 118.064 -0.97 . . . . 44.2 111.595 -175.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.7 -45.51 96.11 Favored Glycine 0 C--O 1.265 2.058 0 C-N-CA 126.062 1.791 . . . . 33.22 114.018 177.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.3 mt -86.35 -27.65 24.14 Favored 'General case' 0 C--O 1.247 0.934 0 CA-C-O 121.674 0.75 . . . . 35.58 112.978 -174.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -19.43 63.63 Favored 'General case' 0 CA--C 1.483 -1.608 0 CA-C-N 115.994 -0.548 . . . . 47.95 110.446 -172.805 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ASP . . . . . 0.48 ' C ' ' N ' ' A' ' 101' ' ' GLY . 2.9 t70 -50.55 126.84 16.37 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 120.684 3.587 . . . . 56.18 120.684 174.806 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . . . 45.61 25.17 0.23 Allowed 'General case' 0 N--CA 1.428 -1.535 0 CA-C-N 112.235 -2.257 . . . . 44.98 105.935 -172.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLY . . . . . 0.48 ' N ' ' C ' ' A' ' 99' ' ' ASP . . . -106.37 169.56 15.63 Favored Glycine 0 C--O 1.287 3.415 0 N-CA-C 116.549 1.379 . . . . 42.22 116.549 179.929 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.1 136.04 34.82 Favored 'General case' 0 C--O 1.168 -3.225 0 CA-C-N 113.144 -1.528 . . . . 36.82 111.407 170.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.8 mt -94.13 109.42 22.03 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.569 0 C-N-CA 125.259 1.423 . . . . 32.82 107.818 169.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.7 mt -81.71 -32.75 31.5 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-O 123.397 1.57 . . . . 36.08 110.369 177.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' MSE . . . . . 1.294 ' CE ' 'SE ' ' A' ' 105' ' ' MSE . 21.1 ttm -156.47 132.05 5.62 Favored Pre-proline 0 N--CA 1.403 -2.82 0 CA-C-N 114.518 -1.219 . . . . 60.87 110.89 169.383 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -89.33 178.11 2.62 Favored 'Trans proline' 0 CA--C 1.457 -3.345 0 O-C-N 123.099 1.052 . . . . 39.26 110.58 -174.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.74 124.58 21.4 Favored 'General case' 0 C--O 1.252 1.228 0 O-C-N 126.639 2.462 . . . . 40.86 106.671 -168.746 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 89.6 m -150.76 134.65 16.68 Favored 'General case' 0 N--CA 1.434 -1.229 0 CA-C-O 122.529 1.157 . . . . 43.93 108.218 -162.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.09 115.21 23.53 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 106.82 -1.548 . . . . 57.65 106.82 -178.856 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' MSE . . . . . 1.137 ' CE ' 'SE ' ' A' ' 110' ' ' MSE . 4.5 ttp -142.54 94.15 6.8 Favored Pre-proline 0 N--CA 1.382 -3.836 0 C-N-CA 116.471 -2.092 . . . . 65.1 108.371 -161.79 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.49 149.4 57.5 Favored 'Trans proline' 0 C--O 1.279 2.559 0 O-C-N 123.901 1.474 . . . . 49.05 108.824 179.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -71.11 22.39 0.54 Allowed 'Cis proline' 1 N--CA 1.558 5.28 1 N-CA-C 123.183 4.263 . . . . 46.17 123.183 -13.067 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -103.12 143.56 32.44 Favored 'General case' 0 N--CA 1.423 -1.786 0 O-C-N 121.302 -0.874 . . . . 42.19 109.098 178.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . . . -58.9 -38.31 78.57 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-O 123.437 1.589 . . . . 38.67 109.716 165.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -156.67 154.46 30.14 Favored 'General case' 0 C--O 1.184 -2.384 0 O-C-N 119.833 -1.792 . . . . 51.8 107.288 -176.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -154.74 144.27 21.39 Favored 'General case' 0 N--CA 1.399 -3.008 0 N-CA-C 105.503 -2.036 . . . . 23.63 105.503 -176.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -148.04 157.7 43.66 Favored 'General case' 0 C--O 1.203 -1.346 0 CA-C-O 122.374 1.083 . . . . 21.92 108.871 175.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -137.96 115.14 10.96 Favored 'General case' 0 N--CA 1.381 -3.906 0 CA-C-N 114.635 -1.166 . . . . 39.29 110.436 179.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.9 t -126.98 130.05 71.3 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.858 0 CA-C-N 113.918 -1.492 . . . . 28.52 111.692 -172.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -94.58 125.72 39.41 Favored 'General case' 0 C--N 1.288 -2.098 0 O-C-N 120.056 -1.652 . . . . 36.26 112.824 159.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' ASP . . . . . 0.517 ' OD1' ' C ' ' A' ' 121' ' ' ASP . 18.8 p30 -80.75 178.21 8.52 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 118.807 -1.157 . . . . 39.4 108.939 -176.551 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -60.0 -25.0 64.92 Favored 'General case' 0 CA--C 1.462 -2.425 0 CA-C-N 114.78 -1.1 . . . . 48.86 113.063 -171.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -95.48 2.12 54.28 Favored 'General case' 0 N--CA 1.5 2.069 0 CA-C-O 124.044 1.878 . . . . 30.51 110.269 -179.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 97.67 -0.7 59.61 Favored Glycine 1 C--O 1.141 -5.663 1 C-N-CA 112.021 -4.895 . . . . 30.3 121.489 178.679 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 46.6 t -93.48 136.43 25.27 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 CA-C-N 122.776 3.288 . . . . 26.02 110.511 -179.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 28.0 m -89.8 132.99 34.95 Favored 'General case' 0 CA--C 1.429 -3.68 0 N-CA-C 106.036 -1.839 . . . . 31.7 106.036 -177.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -118.47 126.35 51.85 Favored 'General case' 0 CA--C 1.483 -1.6 0 O-C-N 128.219 3.45 . . . . 20.04 110.733 169.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 82' ' ' VAL . 71.8 mt-30 -100.99 128.67 46.92 Favored 'General case' 0 CA--C 1.475 -1.926 0 N-CA-C 107.781 -1.192 . . . . 31.48 107.781 166.585 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.8 mt -110.14 115.94 30.63 Favored 'General case' 0 CA--C 1.49 -1.36 0 O-C-N 128.4 3.563 . . . . 23.86 112.553 177.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -126.37 118.32 24.78 Favored 'General case' 0 N--CA 1.414 -2.232 0 C-N-CA 118.266 -1.374 . . . . 29.24 109.238 -167.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.2 tt -99.4 109.43 54.83 Favored Pre-proline 0 C--O 1.193 -1.872 0 O-C-N 121.417 -0.802 . . . . 37.6 110.081 176.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -61.89 -50.39 5.24 Favored 'Trans proline' 0 CA--C 1.591 3.341 0 N-CA-C 117.529 2.088 . . . . 37.6 117.529 -177.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.944 0 N-CA-C 113.319 0.859 . . . . 40.81 113.319 -170.874 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' HOH . . . . . 0.465 ' O ' ' CB ' ' A' ' 65' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' HOH . . . . . 0.445 ' O ' ' NE2' ' A' ' 15' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . 1.457 ' CE ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.513 2.682 0 CA-C-O 124.418 2.056 . . . . 66.62 109.58 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -114.57 125.35 53.68 Favored 'General case' 0 C--N 1.307 -1.266 0 C-N-CA 116.23 -2.188 . . . . 63.93 109.493 -172.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ILE . . . . . 0.531 HD12 ' CE ' ' A' ' 62' ' ' MSE . 9.8 pt -102.99 143.2 26.13 Favored Pre-proline 0 CA--C 1.475 -1.925 0 N-CA-C 102.948 -2.982 . . . . 43.24 102.948 -162.774 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -65.5 156.4 63.79 Favored 'Trans proline' 0 N--CA 1.428 -2.375 0 N-CA-C 114.281 0.839 . . . . 29.63 114.281 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . 0.283 . . -49.07 -39.52 28.13 Favored 'General case' 0 C--O 1.189 -2.104 0 CA-C-O 117.048 -1.453 . . . . 18.95 108.205 175.751 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.5 mt -125.59 115.08 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 C-N-CA 124.679 1.192 . . . . 22.85 111.081 178.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.0 m -109.17 132.27 54.27 Favored 'General case' 0 C--O 1.191 -2.011 0 C-N-CA 124.37 1.068 . . . . 18.71 109.619 -178.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.3 m -75.69 133.34 40.82 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 104.129 -2.545 . . . . 19.3 104.129 174.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -122.15 116.78 24.8 Favored 'General case' 0 C--O 1.294 3.429 0 CA-C-O 123.194 1.473 . . . . 28.74 107.866 -168.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . 0.829 ' N ' HD12 ' A' ' 10' ' ' LEU . 1.4 mp -106.08 132.99 51.5 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-N 114.286 -1.324 . . . . 34.47 111.143 -179.155 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' MSE . . . . . 1.394 'SE ' ' CE ' ' A' ' 11' ' ' MSE . 38.0 mtp -119.38 125.63 49.47 Favored 'General case' 0 CA--C 1.463 -2.374 0 CA-C-N 113.561 -1.654 . . . . 63.67 106.991 -177.717 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' PHE . . . . . 0.422 ' HE1' ' HB1' ' A' ' 63' ' ' ALA . 13.8 m-85 -117.2 174.7 5.97 Favored 'General case' 0 C--O 1.287 3.052 0 O-C-N 125.109 1.505 . . . . 41.62 113.168 179.375 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -71.32 -75.84 0.12 Allowed 'General case' 0 C--O 1.291 3.281 0 CA-C-N 114.588 -1.187 . . . . 61.2 111.436 -177.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -145.8 61.63 1.26 Allowed 'General case' 0 CA--C 1.463 -2.403 0 N-CA-C 102.186 -3.264 . . . . 53.28 102.186 159.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -135.69 18.91 3.3 Favored 'General case' 0 N--CA 1.418 -2.074 0 CA-C-N 113.571 -1.65 . . . . 54.69 112.647 -169.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.72 -45.62 51.03 Favored 'General case' 0 C--O 1.184 -2.356 0 C-N-CA 118.275 -1.37 . . . . 37.23 111.0 -171.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . 0.695 ' HA ' ' HE1' ' A' ' 35' ' ' MSE . 34.7 tt0 -57.52 -42.58 83.11 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 113.839 1.052 . . . . 51.01 113.839 179.76 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.05 -50.66 71.12 Favored 'General case' 0 CA--C 1.563 1.476 0 N-CA-C 116.138 1.903 . . . . 49.51 116.138 169.054 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.78 -57.88 9.8 Favored 'General case' 0 C--N 1.367 1.353 0 N-CA-C 108.583 -0.895 . . . . 24.04 108.583 178.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . 0.524 HG12 HD11 ' A' ' 32' ' ' ILE . 61.1 t -47.34 -48.84 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 114.259 1.207 . . . . 19.9 114.259 174.058 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -59.52 -35.05 73.44 Favored 'General case' 0 N--CA 1.502 2.163 0 C-N-CA 124.631 1.172 . . . . 40.38 110.533 -176.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.2 tp -72.17 -45.34 60.82 Favored 'General case' 0 C--O 1.293 3.354 0 CA-C-N 112.166 -2.288 . . . . 31.92 113.007 179.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -79.47 -40.55 29.53 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 115.543 -2.463 . . . . 27.11 112.406 -174.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -49.95 -44.34 50.58 Favored 'General case' 0 C--O 1.203 -1.348 0 CA-C-N 113.596 -1.638 . . . . 34.37 110.102 173.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.8 m -68.58 -43.04 77.38 Favored 'General case' 0 N--CA 1.514 2.728 0 C-N-CA 125.312 1.445 . . . . 30.58 111.958 -177.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.3 mt -71.92 -43.85 64.62 Favored 'General case' 0 C--O 1.188 -2.145 0 N-CA-C 120.973 3.694 . . . . 33.17 120.973 176.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -89.76 151.88 21.59 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 104.28 -2.489 . . . . 32.01 104.28 -171.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' SER . 26.2 mt-10 -74.97 -86.44 0.04 OUTLIER 'General case' 1 N--CA 1.363 -4.819 0 O-C-N 124.63 1.206 . . . . 51.78 111.342 -166.994 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -79.17 64.54 4.1 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 118.285 -1.366 . . . . 47.91 107.352 -158.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' SER . . . . . 0.665 ' HB2' ' O ' ' A' ' 55' ' ' THR . 24.4 p -132.93 157.75 44.35 Favored 'General case' 1 C--O 1.128 -5.334 0 O-C-N 120.005 -1.684 . . . . 31.23 112.314 -164.082 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -170.25 139.64 1.78 Allowed 'General case' 0 C--O 1.194 -1.847 0 O-C-N 118.54 -2.6 . . . . 38.32 110.953 -165.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . 0.524 HD11 HG12 ' A' ' 20' ' ' VAL . 33.7 mt -75.1 112.38 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.194 0 O-C-N 120.446 -1.408 . . . . 25.92 109.639 170.678 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . 0.575 ' O ' HD12 ' A' ' 33' ' ' ILE 0.39 0.5 OUTLIER -89.35 -20.02 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.259 0 C-N-CA 116.095 -2.242 . . . . 33.52 114.905 175.996 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 34' ' ' THR . . . . . 0.563 ' O ' ' HA ' ' A' ' 52' ' ' SER . 1.4 m -163.22 124.48 2.41 Favored 'General case' 0 C--O 1.25 1.088 0 O-C-N 117.428 -3.295 . . . . 33.31 103.582 -170.039 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' MSE . . . . . 0.695 ' HE1' ' HA ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -133.39 130.19 38.41 Favored 'General case' 0 N--CA 1.382 -3.844 0 CA-C-N 114.549 -1.205 . . . . 52.99 113.187 163.015 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.86 127.28 43.16 Favored 'General case' 0 CA--C 1.478 -1.794 0 N-CA-C 107.795 -1.187 . . . . 38.93 107.795 174.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 48' ' ' THR . 12.1 mmtp -96.15 161.54 13.92 Favored 'General case' 0 C--O 1.263 1.792 0 O-C-N 124.986 1.428 . . . . 48.15 112.728 177.557 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -75.55 131.86 40.32 Favored 'General case' 0 C--O 1.264 1.851 0 N-CA-C 116.406 2.002 . . . . 51.65 116.406 169.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.084 0 C-N-CA 125.444 1.497 . . . . 49.97 113.013 -178.261 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASP . . . . . 0.634 ' HB2' ' O ' ' A' ' 160' ' ' HOH 0.255 36.5 m-20 . . . . . 0 C--O 1.282 2.809 0 CA-C-O 123.817 1.77 . . . . 59.01 109.224 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -77.14 142.76 21.99 Favored 'Trans proline' 0 CA--C 1.477 -2.365 0 CA-C-N 114.048 -1.09 . . . . 55.22 111.294 -167.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.82 -19.94 38.56 Favored Glycine 0 C--O 1.257 1.574 0 C-N-CA 118.958 -1.592 . . . . 49.78 109.3 -178.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' THR . . . . . 0.571 HG22 ' N ' ' A' ' 49' ' ' VAL . 55.0 m -68.35 155.27 40.14 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 117.73 2.493 . . . . 46.02 117.73 168.549 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' VAL . . . . . 0.571 ' N ' HG22 ' A' ' 48' ' ' THR . 77.1 t -77.91 132.54 32.33 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.267 0 N-CA-C 109.286 -0.635 . . . . 38.68 109.286 -179.008 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLN . . . . . 0.669 ' HG2' ' O ' ' A' ' 147' ' ' HOH . 60.6 tt0 -100.86 -38.32 8.3 Favored 'General case' 0 CA--C 1.47 -2.132 0 N-CA-C 106.519 -1.66 . . . . 55.69 106.519 175.026 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -152.8 124.95 8.03 Favored 'General case' 0 N--CA 1.412 -2.339 0 C-N-CA 116.715 -1.994 . . . . 54.91 105.648 -175.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' SER . . . . . 0.563 ' HA ' ' O ' ' A' ' 34' ' ' THR . 2.6 t -132.0 139.79 48.73 Favored 'General case' 0 C--O 1.173 -2.951 0 C-N-CA 124.188 0.995 . . . . 35.61 109.322 169.451 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 81.4 mt -127.36 123.97 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.03 0 N-CA-C 106.361 -1.718 . . . . 27.06 106.361 168.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -135.86 165.21 26.16 Favored 'General case' 0 N--CA 1.421 -1.907 0 CA-C-O 122.765 1.269 . . . . 21.26 109.744 -178.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' THR . . . . . 0.665 ' O ' ' HB2' ' A' ' 30' ' ' SER . 18.1 m -108.11 147.89 30.61 Favored 'General case' 0 C--N 1.288 -2.094 0 C-N-CA 125.306 1.442 . . . . 27.48 112.232 175.244 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 55' ' ' THR . 56.0 mt -141.56 116.39 9.8 Favored 'General case' 0 C--O 1.249 1.043 0 N-CA-C 102.465 -3.161 . . . . 24.59 102.465 169.222 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.1 m120 53.51 38.87 29.1 Favored 'General case' 1 C--O 1.141 -4.606 0 O-C-N 124.793 1.308 . . . . 41.47 113.127 -173.735 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.59 8.37 76.27 Favored Glycine 0 C--N 1.294 -1.801 0 N-CA-C 115.575 0.99 . . . . 26.88 115.575 -178.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -106.71 134.5 49.77 Favored 'General case' 0 C--O 1.257 1.489 0 CA-C-O 121.619 0.723 . . . . 24.91 109.419 178.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.9 t -77.88 120.66 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.457 0 N-CA-C 118.79 2.885 . . . . 19.41 118.79 179.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -120.6 168.57 11.23 Favored 'General case' 0 N--CA 1.392 -3.36 0 CA-C-N 112.937 -1.938 . . . . 16.29 108.283 178.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' MSE . . . . . 1.418 ' CE ' 'SE ' ' A' ' 62' ' ' MSE . 67.4 mtt -138.07 149.87 46.38 Favored 'General case' 0 N--CA 1.418 -2.049 0 O-C-N 120.423 -1.423 . . . . 44.39 107.913 172.139 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ALA . . . . . 0.491 ' HA ' ' O ' ' A' ' 10' ' ' LEU . . . -139.92 148.77 42.46 Favored 'General case' 0 CA--C 1.561 1.371 0 N-CA-C 108.374 -0.973 . . . . 20.86 108.374 173.733 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.6 pt -137.61 170.34 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.05 0 N-CA-C 115.578 1.696 . . . . 25.49 115.578 164.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ASP . . . . . 0.503 ' C ' HG23 ' A' ' 48' ' ' THR 0.308 . . . . . . . 0 CA--C 1.624 3.825 0 C-N-CA 125.596 1.559 . . . . 30.99 113.767 -178.786 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo . . . . . 1 CA--C 1.624 5.017 0 CA-C-O 124.524 1.802 . . . . 52.73 109.286 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ILE . . . . . 0.741 ' O ' HG12 ' A' ' 78' ' ' ILE . 2.7 tt -145.04 42.52 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.251 1.163 0 N-CA-C 104.461 -2.422 . . . . 50.44 104.461 171.569 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.8 p -46.85 -179.87 0.0 OUTLIER 'General case' 0 C--O 1.204 -1.32 1 N-CA-C 125.752 5.464 . . . . 37.57 125.752 178.859 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 80.1 mt -115.87 125.58 52.82 Favored 'General case' 0 C--O 1.153 -3.978 0 CA-C-N 114.003 -1.453 . . . . 29.49 109.535 175.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -110.13 109.91 20.6 Favored 'General case' 0 N--CA 1.38 -3.94 0 N-CA-C 102.842 -3.021 . . . . 15.81 102.842 -167.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 17.3 t -102.13 113.41 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.369 0 CA-C-N 111.842 -2.435 . . . . 16.33 113.319 -178.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 92.3 m -76.13 105.63 7.28 Favored 'General case' 0 C--O 1.271 2.193 0 CA-C-N 111.866 -2.424 . . . . 27.0 114.626 163.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' VAL . . . . . 0.614 HG11 ' HG2' ' A' ' 90' ' ' MSE . 84.5 t -84.7 141.79 14.17 Favored 'Isoleucine or valine' 0 C--O 1.273 2.291 0 CA-C-N 112.37 -2.196 . . . . 34.81 108.132 -173.134 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . . . -78.03 -26.48 48.44 Favored 'General case' 1 N--CA 1.543 4.203 0 O-C-N 125.561 1.788 . . . . 39.42 112.929 179.477 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . 0.252 78.2 m-20 -163.1 161.78 25.38 Favored 'General case' 0 C--O 1.273 2.323 0 N-CA-C 106.589 -1.634 . . . . 62.79 106.589 -160.396 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . . . -52.84 -39.42 62.48 Favored 'General case' 0 N--CA 1.513 2.703 0 O-C-N 125.578 1.799 . . . . 42.4 109.669 166.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ILE . . . . . 0.719 ' O ' ' HG3' ' A' ' 92' ' ' ARG . 2.5 mp -70.46 -47.61 64.6 Favored 'Isoleucine or valine' 0 C--O 1.275 2.445 0 N-CA-C 118.16 2.652 . . . . 48.57 118.16 -178.669 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . . . -45.09 -56.8 4.37 Favored 'General case' 0 C--O 1.189 -2.124 0 C-N-CA 127.578 2.351 . . . . 38.54 109.156 160.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' MSE . . . . . 0.614 ' HG2' HG11 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -46.07 -50.04 15.68 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 120.006 3.336 . . . . 55.52 120.006 169.966 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.95 -59.53 4.76 Favored 'General case' 0 CA--C 1.486 -1.509 0 O-C-N 124.484 1.115 . . . . 51.9 113.629 178.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ARG . . . . . 0.719 ' HG3' ' O ' ' A' ' 88' ' ' ILE . 29.4 mtt85 -48.87 -53.36 19.77 Favored 'General case' 0 C--O 1.248 1.0 0 N-CA-C 118.607 2.817 . . . . 58.44 118.607 173.868 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.9 mp -70.73 -41.66 71.56 Favored 'General case' 0 C--O 1.282 2.782 0 O-C-N 120.814 -1.179 . . . . 31.99 108.144 -176.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' PHE . . . . . 0.446 ' CE2' ' HE2' ' A' ' 107' ' ' LYS . 72.7 t80 -55.99 -59.27 5.14 Favored 'General case' 0 N--CA 1.433 -1.295 0 CA-C-O 122.793 1.282 . . . . 26.77 108.735 -179.019 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -62.28 -35.52 79.25 Favored 'General case' 0 C--O 1.203 -1.386 0 CA-C-O 118.064 -0.97 . . . . 44.2 111.595 -175.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.7 -45.51 96.11 Favored Glycine 0 C--O 1.265 2.058 0 C-N-CA 126.062 1.791 . . . . 33.22 114.018 177.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.3 mt -86.35 -27.65 24.14 Favored 'General case' 0 C--O 1.247 0.934 0 CA-C-O 121.674 0.75 . . . . 35.58 112.978 -174.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -19.43 63.63 Favored 'General case' 0 CA--C 1.483 -1.608 0 CA-C-N 115.994 -0.548 . . . . 47.95 110.446 -172.805 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ASP . . . . . 0.48 ' C ' ' N ' ' A' ' 101' ' ' GLY . 2.9 t70 -50.55 126.84 16.37 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 120.684 3.587 . . . . 56.18 120.684 174.806 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . . . 45.61 25.17 0.23 Allowed 'General case' 0 N--CA 1.428 -1.535 0 CA-C-N 112.235 -2.257 . . . . 44.98 105.935 -172.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLY . . . . . 0.48 ' N ' ' C ' ' A' ' 99' ' ' ASP . . . -106.37 169.56 15.63 Favored Glycine 0 C--O 1.287 3.415 0 N-CA-C 116.549 1.379 . . . . 42.22 116.549 179.929 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.1 136.04 34.82 Favored 'General case' 0 C--O 1.168 -3.225 0 CA-C-N 113.144 -1.528 . . . . 36.82 111.407 170.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.8 mt -94.13 109.42 22.03 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.569 0 C-N-CA 125.259 1.423 . . . . 32.82 107.818 169.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.7 mt -81.71 -32.75 31.5 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-O 123.397 1.57 . . . . 36.08 110.369 177.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' MSE . . . . . 1.294 'SE ' ' CE ' ' A' ' 105' ' ' MSE . 21.1 ttm -156.47 132.05 5.62 Favored Pre-proline 0 N--CA 1.403 -2.82 0 CA-C-N 114.518 -1.219 . . . . 60.87 110.89 169.383 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -89.33 178.11 2.62 Favored 'Trans proline' 0 CA--C 1.457 -3.345 0 O-C-N 123.099 1.052 . . . . 39.26 110.58 -174.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LYS . . . . . 0.594 ' HD2' ' O ' ' A' ' 146' ' ' HOH . 0.3 OUTLIER -62.74 124.58 21.4 Favored 'General case' 0 C--O 1.252 1.228 0 O-C-N 126.639 2.462 . . . . 40.86 106.671 -168.746 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 89.6 m -150.76 134.65 16.68 Favored 'General case' 0 N--CA 1.434 -1.229 0 CA-C-O 122.529 1.157 . . . . 43.93 108.218 -162.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -86.09 115.21 23.53 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 106.82 -1.548 . . . . 57.65 106.82 -178.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' MSE . . . . . 1.137 'SE ' ' CE ' ' A' ' 110' ' ' MSE . 4.5 ttp -142.54 94.15 6.8 Favored Pre-proline 0 N--CA 1.382 -3.836 0 C-N-CA 116.471 -2.092 . . . . 65.1 108.371 -161.79 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.49 149.4 57.5 Favored 'Trans proline' 0 C--O 1.279 2.559 0 O-C-N 123.901 1.474 . . . . 49.05 108.824 179.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -71.11 22.39 0.54 Allowed 'Cis proline' 1 N--CA 1.558 5.28 1 N-CA-C 123.183 4.263 . . . . 46.17 123.183 -13.067 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -103.12 143.56 32.44 Favored 'General case' 0 N--CA 1.423 -1.786 0 O-C-N 121.302 -0.874 . . . . 42.19 109.098 178.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ARG . . . . . 0.69 ' HB3' HD22 ' A' ' 131' ' ' LEU . . . -58.9 -38.31 78.57 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-O 123.437 1.589 . . . . 38.67 109.716 165.813 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -156.67 154.46 30.14 Favored 'General case' 0 C--O 1.184 -2.384 0 O-C-N 119.833 -1.792 . . . . 51.8 107.288 -176.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -154.74 144.27 21.39 Favored 'General case' 0 N--CA 1.399 -3.008 0 N-CA-C 105.503 -2.036 . . . . 23.63 105.503 -176.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -148.04 157.7 43.66 Favored 'General case' 0 C--O 1.203 -1.346 0 CA-C-O 122.374 1.083 . . . . 21.92 108.871 175.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -137.96 115.14 10.96 Favored 'General case' 0 N--CA 1.381 -3.906 0 CA-C-N 114.635 -1.166 . . . . 39.29 110.436 179.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.9 t -126.98 130.05 71.3 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.858 0 CA-C-N 113.918 -1.492 . . . . 28.52 111.692 -172.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -94.58 125.72 39.41 Favored 'General case' 0 C--N 1.288 -2.098 0 O-C-N 120.056 -1.652 . . . . 36.26 112.824 159.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' ASP . . . . . 0.517 ' OD1' ' C ' ' A' ' 121' ' ' ASP . 18.8 p30 -80.75 178.21 8.52 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 118.807 -1.157 . . . . 39.4 108.939 -176.551 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -60.0 -25.0 64.92 Favored 'General case' 0 CA--C 1.462 -2.425 0 CA-C-N 114.78 -1.1 . . . . 48.86 113.063 -171.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -95.48 2.12 54.28 Favored 'General case' 0 N--CA 1.5 2.069 0 CA-C-O 124.044 1.878 . . . . 30.51 110.269 -179.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 97.67 -0.7 59.61 Favored Glycine 1 C--O 1.141 -5.663 1 C-N-CA 112.021 -4.895 . . . . 30.3 121.489 178.679 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 46.6 t -93.48 136.43 25.27 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 CA-C-N 122.776 3.288 . . . . 26.02 110.511 -179.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 28.0 m -89.8 132.99 34.95 Favored 'General case' 0 CA--C 1.429 -3.68 0 N-CA-C 106.036 -1.839 . . . . 31.7 106.036 -177.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -118.47 126.35 51.85 Favored 'General case' 0 CA--C 1.483 -1.6 0 O-C-N 128.219 3.45 . . . . 20.04 110.733 169.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -100.99 128.67 46.92 Favored 'General case' 0 CA--C 1.475 -1.926 0 N-CA-C 107.781 -1.192 . . . . 31.48 107.781 166.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' LEU . . . . . 0.504 HD12 ' HE1' ' A' ' 90' ' ' MSE . 6.8 mt -110.14 115.94 30.63 Favored 'General case' 0 CA--C 1.49 -1.36 0 O-C-N 128.4 3.563 . . . . 23.86 112.553 177.979 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -126.37 118.32 24.78 Favored 'General case' 0 N--CA 1.414 -2.232 0 C-N-CA 118.266 -1.374 . . . . 29.24 109.238 -167.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' LEU . . . . . 0.69 HD22 ' HB3' ' A' ' 114' ' ' ARG . 4.2 tt -99.4 109.43 54.83 Favored Pre-proline 0 C--O 1.193 -1.872 0 O-C-N 121.417 -0.802 . . . . 37.6 110.081 176.374 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -61.89 -50.39 5.24 Favored 'Trans proline' 0 CA--C 1.591 3.341 0 N-CA-C 117.529 2.088 . . . . 37.6 117.529 -177.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.944 0 N-CA-C 113.319 0.859 . . . . 40.81 113.319 -170.874 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . 0.594 ' O ' ' HD2' ' A' ' 107' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HOH . . . . . 0.669 ' O ' ' HG2' ' A' ' 50' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . 0.465 ' O ' ' CB ' ' A' ' 65' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . 0.634 ' O ' ' HB2' ' A' ' 45' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . 1.457 ' SD ' ' CE ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.513 2.682 0 CA-C-O 124.418 2.056 . . . . 66.620000000000005 109.58 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -114.57 125.35 53.68 Favored 'General case' 0 C--N 1.307 -1.266 0 C-N-CA 116.23 -2.188 . . . . 63.93 109.493 -172.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.531 HD12 ' CE ' ' A' ' 62' ' ' MSE . 9.8 pt -102.99 143.2 26.13 Favored Pre-proline 0 CA--C 1.475 -1.925 0 N-CA-C 102.948 -2.982 . . . . 43.240000000000002 102.948 -162.774 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -65.5 156.4 63.79 Favored 'Trans proline' 0 N--CA 1.428 -2.375 0 N-CA-C 114.281 0.839 . . . . 29.629999999999999 114.281 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . 0.283 . . -49.07 -39.52 28.13 Favored 'General case' 0 C--O 1.189 -2.104 0 CA-C-O 117.048 -1.453 . . . . 18.949999999999999 108.205 175.751 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.5 mt -125.59 115.08 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 C-N-CA 124.679 1.192 . . . . 22.850000000000001 111.081 178.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 68.0 m -109.17 132.27 54.27 Favored 'General case' 0 C--O 1.191 -2.011 0 C-N-CA 124.37 1.068 . . . . 18.710000000000001 109.619 -178.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.3 m -75.69 133.34 40.82 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 104.129 -2.545 . . . . 19.300000000000001 104.129 174.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -122.15 116.78 24.8 Favored 'General case' 0 C--O 1.294 3.429 0 CA-C-O 123.194 1.473 . . . . 28.739999999999998 107.866 -168.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.829 ' N ' HD12 ' A' ' 10' ' ' LEU . 1.4 mp -106.08 132.99 51.5 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-N 114.286 -1.324 . . . . 34.469999999999999 111.143 -179.155 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' MSE . . . . . 1.394 ' CE ' 'SE ' ' A' ' 11' ' ' MSE . 38.0 mtp -119.38 125.63 49.47 Favored 'General case' 0 CA--C 1.463 -2.374 0 CA-C-N 113.561 -1.654 . . . . 63.670000000000002 106.991 -177.717 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.422 ' HE1' ' HB1' ' A' ' 63' ' ' ALA . 13.8 m-85 -117.2 174.7 5.97 Favored 'General case' 0 C--O 1.287 3.052 0 O-C-N 125.109 1.505 . . . . 41.619999999999997 113.168 179.375 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -71.32 -75.84 0.12 Allowed 'General case' 0 C--O 1.291 3.281 0 CA-C-N 114.588 -1.187 . . . . 61.200000000000003 111.436 -177.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -145.8 61.63 1.26 Allowed 'General case' 0 CA--C 1.463 -2.403 0 N-CA-C 102.186 -3.264 . . . . 53.280000000000001 102.186 159.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -135.69 18.91 3.3 Favored 'General case' 0 N--CA 1.418 -2.074 0 CA-C-N 113.571 -1.65 . . . . 54.689999999999998 112.647 -169.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.72 -45.62 51.03 Favored 'General case' 0 C--O 1.184 -2.356 0 C-N-CA 118.275 -1.37 . . . . 37.229999999999997 111.0 -171.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.695 ' HA ' ' HE1' ' A' ' 35' ' ' MSE . 34.7 tt0 -57.52 -42.58 83.11 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 113.839 1.052 . . . . 51.009999999999998 113.839 179.76 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.05 -50.66 71.12 Favored 'General case' 0 CA--C 1.563 1.476 0 N-CA-C 116.138 1.903 . . . . 49.509999999999998 116.138 169.054 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.78 -57.88 9.8 Favored 'General case' 0 C--N 1.367 1.353 0 N-CA-C 108.583 -0.895 . . . . 24.039999999999999 108.583 178.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.524 HG12 HD11 ' A' ' 32' ' ' ILE . 61.1 t -47.34 -48.84 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 N-CA-C 114.259 1.207 . . . . 19.899999999999999 114.259 174.058 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -59.52 -35.05 73.44 Favored 'General case' 0 N--CA 1.502 2.163 0 C-N-CA 124.631 1.172 . . . . 40.380000000000003 110.533 -176.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.2 tp -72.17 -45.34 60.82 Favored 'General case' 0 C--O 1.293 3.354 0 CA-C-N 112.166 -2.288 . . . . 31.920000000000002 113.007 179.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -79.47 -40.55 29.53 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 115.543 -2.463 . . . . 27.109999999999999 112.406 -174.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -49.95 -44.34 50.58 Favored 'General case' 0 C--O 1.203 -1.348 0 CA-C-N 113.596 -1.638 . . . . 34.369999999999997 110.102 173.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.8 m -68.58 -43.04 77.38 Favored 'General case' 0 N--CA 1.514 2.728 0 C-N-CA 125.312 1.445 . . . . 30.579999999999998 111.958 -177.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.3 mt -71.92 -43.85 64.62 Favored 'General case' 0 C--O 1.188 -2.145 0 N-CA-C 120.973 3.694 . . . . 33.170000000000002 120.973 176.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -89.76 151.88 21.59 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 104.28 -2.489 . . . . 32.009999999999998 104.28 -171.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 30' ' ' SER . 26.2 mt-10 -74.97 -86.44 0.04 OUTLIER 'General case' 1 N--CA 1.363 -4.819 0 O-C-N 124.63 1.206 . . . . 51.780000000000001 111.342 -166.994 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -79.17 64.54 4.1 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 118.285 -1.366 . . . . 47.909999999999997 107.352 -158.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' SER . . . . . 0.665 ' HB2' ' O ' ' A' ' 55' ' ' THR . 24.4 p -132.93 157.75 44.35 Favored 'General case' 1 C--O 1.128 -5.334 0 O-C-N 120.005 -1.684 . . . . 31.23 112.314 -164.082 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -170.25 139.64 1.78 Allowed 'General case' 0 C--O 1.194 -1.847 0 O-C-N 118.54 -2.6 . . . . 38.32 110.953 -165.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.524 HD11 HG12 ' A' ' 20' ' ' VAL . 33.7 mt -75.1 112.38 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.194 0 O-C-N 120.446 -1.408 . . . . 25.920000000000002 109.639 170.678 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.575 ' O ' HD12 ' A' ' 33' ' ' ILE 0.39 0.5 OUTLIER -89.35 -20.02 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.259 0 C-N-CA 116.095 -2.242 . . . . 33.520000000000003 114.905 175.996 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' THR . . . . . 0.563 ' O ' ' HA ' ' A' ' 52' ' ' SER . 1.4 m -163.22 124.48 2.41 Favored 'General case' 0 C--O 1.25 1.088 0 O-C-N 117.428 -3.295 . . . . 33.310000000000002 103.582 -170.039 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' MSE . . . . . 0.695 ' HE1' ' HA ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -133.39 130.19 38.41 Favored 'General case' 0 N--CA 1.382 -3.844 0 CA-C-N 114.549 -1.205 . . . . 52.990000000000002 113.187 163.015 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.86 127.28 43.16 Favored 'General case' 0 CA--C 1.478 -1.794 0 N-CA-C 107.795 -1.187 . . . . 38.93 107.795 174.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 48' ' ' THR . 12.1 mmtp -96.15 161.54 13.92 Favored 'General case' 0 C--O 1.263 1.792 0 O-C-N 124.986 1.428 . . . . 48.149999999999999 112.728 177.557 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -75.55 131.86 40.32 Favored 'General case' 0 C--O 1.264 1.851 0 N-CA-C 116.406 2.002 . . . . 51.649999999999999 116.406 169.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.084 0 C-N-CA 125.444 1.497 . . . . 49.969999999999999 113.013 -178.261 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.634 ' HB2' ' O ' ' A' ' 160' ' ' HOH 0.255 36.5 m-20 . . . . . 0 C--O 1.282 2.809 0 CA-C-O 123.817 1.77 . . . . 59.009999999999998 109.224 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -77.14 142.76 21.99 Favored 'Trans proline' 0 CA--C 1.477 -2.365 0 CA-C-N 114.048 -1.09 . . . . 55.219999999999999 111.294 -167.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.82 -19.94 38.56 Favored Glycine 0 C--O 1.257 1.574 0 C-N-CA 118.958 -1.592 . . . . 49.780000000000001 109.3 -178.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' THR . . . . . 0.571 HG22 ' N ' ' A' ' 49' ' ' VAL . 55.0 m -68.35 155.27 40.14 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 117.73 2.493 . . . . 46.020000000000003 117.73 168.549 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.571 ' N ' HG22 ' A' ' 48' ' ' THR . 77.1 t -77.91 132.54 32.33 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.267 0 N-CA-C 109.286 -0.635 . . . . 38.68 109.286 -179.008 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.669 ' HG2' ' O ' ' A' ' 147' ' ' HOH . 9.4 tt0 -100.86 -38.32 8.3 Favored 'General case' 0 CA--C 1.47 -2.132 0 N-CA-C 106.519 -1.66 . . . . 55.689999999999998 106.519 175.026 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -152.8 124.95 8.03 Favored 'General case' 0 N--CA 1.412 -2.339 0 C-N-CA 116.715 -1.994 . . . . 54.909999999999997 105.648 -175.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' SER . . . . . 0.563 ' HA ' ' O ' ' A' ' 34' ' ' THR . 2.6 t -132.0 139.79 48.73 Favored 'General case' 0 C--O 1.173 -2.951 0 C-N-CA 124.188 0.995 . . . . 35.609999999999999 109.322 169.451 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 81.4 mt -127.36 123.97 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.03 0 N-CA-C 106.361 -1.718 . . . . 27.059999999999999 106.361 168.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -135.86 165.21 26.16 Favored 'General case' 0 N--CA 1.421 -1.907 0 CA-C-O 122.765 1.269 . . . . 21.260000000000002 109.744 -178.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' THR . . . . . 0.665 ' O ' ' HB2' ' A' ' 30' ' ' SER . 18.1 m -108.11 147.89 30.61 Favored 'General case' 0 C--N 1.288 -2.094 0 C-N-CA 125.306 1.442 . . . . 27.48 112.232 175.244 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 55' ' ' THR . 56.0 mt -141.56 116.39 9.8 Favored 'General case' 0 C--O 1.249 1.043 0 N-CA-C 102.465 -3.161 . . . . 24.59 102.465 169.222 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 53.51 38.87 29.1 Favored 'General case' 1 C--O 1.141 -4.606 0 O-C-N 124.793 1.308 . . . . 41.469999999999999 113.127 -173.735 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.59 8.37 76.27 Favored Glycine 0 C--N 1.294 -1.801 0 N-CA-C 115.575 0.99 . . . . 26.879999999999999 115.575 -178.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -106.71 134.5 49.77 Favored 'General case' 0 C--O 1.257 1.489 0 CA-C-O 121.619 0.723 . . . . 24.91 109.419 178.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.9 t -77.88 120.66 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.457 0 N-CA-C 118.79 2.885 . . . . 19.41 118.79 179.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -120.6 168.57 11.23 Favored 'General case' 0 N--CA 1.392 -3.36 0 CA-C-N 112.937 -1.938 . . . . 16.289999999999999 108.283 178.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' MSE . . . . . 1.418 'SE ' ' CE ' ' A' ' 62' ' ' MSE . 67.4 mtt -138.07 149.87 46.38 Favored 'General case' 0 N--CA 1.418 -2.049 0 O-C-N 120.423 -1.423 . . . . 44.390000000000001 107.913 172.139 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.491 ' HA ' ' O ' ' A' ' 10' ' ' LEU . . . -139.92 148.77 42.46 Favored 'General case' 0 CA--C 1.561 1.371 0 N-CA-C 108.374 -0.973 . . . . 20.859999999999999 108.374 173.733 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.6 pt -137.61 170.34 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.05 0 N-CA-C 115.578 1.696 . . . . 25.489999999999998 115.578 164.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.503 ' C ' HG23 ' A' ' 48' ' ' THR 0.308 . . . . . . . 0 CA--C 1.624 3.825 0 C-N-CA 125.596 1.559 . . . . 30.989999999999998 113.767 -178.786 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo . . . . . 1 CA--C 1.624 5.017 0 CA-C-O 124.524 1.802 . . . . 52.729999999999997 109.286 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.741 HG12 ' O ' ' A' ' 78' ' ' ILE . 2.7 tt -145.04 42.52 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.251 1.163 0 N-CA-C 104.461 -2.422 . . . . 50.439999999999998 104.461 171.569 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.8 p -46.85 -179.87 0.0 OUTLIER 'General case' 0 C--O 1.204 -1.32 1 N-CA-C 125.752 5.464 . . . . 37.57 125.752 178.859 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 80.1 mt -115.87 125.58 52.82 Favored 'General case' 0 C--O 1.153 -3.978 0 CA-C-N 114.003 -1.453 . . . . 29.489999999999998 109.535 175.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -110.13 109.91 20.6 Favored 'General case' 0 N--CA 1.38 -3.94 0 N-CA-C 102.842 -3.021 . . . . 15.81 102.842 -167.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 17.3 t -102.13 113.41 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.369 0 CA-C-N 111.842 -2.435 . . . . 16.329999999999998 113.319 -178.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 92.3 m -76.13 105.63 7.28 Favored 'General case' 0 C--O 1.271 2.193 0 CA-C-N 111.866 -2.424 . . . . 27.0 114.626 163.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.614 HG11 ' HG2' ' A' ' 90' ' ' MSE . 84.5 t -84.7 141.79 14.17 Favored 'Isoleucine or valine' 0 C--O 1.273 2.291 0 CA-C-N 112.37 -2.196 . . . . 34.810000000000002 108.132 -173.134 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . . . -78.03 -26.48 48.44 Favored 'General case' 1 N--CA 1.543 4.203 0 O-C-N 125.561 1.788 . . . . 39.420000000000002 112.929 179.477 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . 0.252 78.2 m-20 -163.1 161.78 25.38 Favored 'General case' 0 C--O 1.273 2.323 0 N-CA-C 106.589 -1.634 . . . . 62.789999999999999 106.589 -160.396 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . . . -52.84 -39.42 62.48 Favored 'General case' 0 N--CA 1.513 2.703 0 O-C-N 125.578 1.799 . . . . 42.399999999999999 109.669 166.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.719 ' O ' ' HG3' ' A' ' 92' ' ' ARG . 2.5 mp -70.46 -47.61 64.6 Favored 'Isoleucine or valine' 0 C--O 1.275 2.445 0 N-CA-C 118.16 2.652 . . . . 48.57 118.16 -178.669 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . . . -45.09 -56.8 4.37 Favored 'General case' 0 C--O 1.189 -2.124 0 C-N-CA 127.578 2.351 . . . . 38.539999999999999 109.156 160.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' MSE . . . . . 0.614 ' HG2' HG11 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -46.07 -50.04 15.68 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 120.006 3.336 . . . . 55.520000000000003 120.006 169.966 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.95 -59.53 4.76 Favored 'General case' 0 CA--C 1.486 -1.509 0 O-C-N 124.484 1.115 . . . . 51.899999999999999 113.629 178.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.719 ' HG3' ' O ' ' A' ' 88' ' ' ILE . 29.4 mtt85 -48.87 -53.36 19.77 Favored 'General case' 0 C--O 1.248 1.0 0 N-CA-C 118.607 2.817 . . . . 58.439999999999998 118.607 173.868 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.9 mp -70.73 -41.66 71.56 Favored 'General case' 0 C--O 1.282 2.782 0 O-C-N 120.814 -1.179 . . . . 31.989999999999998 108.144 -176.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.446 ' CE2' ' HE2' ' A' ' 107' ' ' LYS . 72.7 t80 -55.99 -59.27 5.14 Favored 'General case' 0 N--CA 1.433 -1.295 0 CA-C-O 122.793 1.282 . . . . 26.77 108.735 -179.019 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -62.28 -35.52 79.25 Favored 'General case' 0 C--O 1.203 -1.386 0 CA-C-O 118.064 -0.97 . . . . 44.200000000000003 111.595 -175.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.7 -45.51 96.11 Favored Glycine 0 C--O 1.265 2.058 0 C-N-CA 126.062 1.791 . . . . 33.219999999999999 114.018 177.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.3 mt -86.35 -27.65 24.14 Favored 'General case' 0 C--O 1.247 0.934 0 CA-C-O 121.674 0.75 . . . . 35.579999999999998 112.978 -174.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -19.43 63.63 Favored 'General case' 0 CA--C 1.483 -1.608 0 CA-C-N 115.994 -0.548 . . . . 47.950000000000003 110.446 -172.805 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.48 ' C ' ' N ' ' A' ' 101' ' ' GLY . 2.9 t70 -50.55 126.84 16.37 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 120.684 3.587 . . . . 56.18 120.684 174.806 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . . . 45.61 25.17 0.23 Allowed 'General case' 0 N--CA 1.428 -1.535 0 CA-C-N 112.235 -2.257 . . . . 44.979999999999997 105.935 -172.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.48 ' N ' ' C ' ' A' ' 99' ' ' ASP . . . -106.37 169.56 15.63 Favored Glycine 0 C--O 1.287 3.415 0 N-CA-C 116.549 1.379 . . . . 42.219999999999999 116.549 179.929 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.1 136.04 34.82 Favored 'General case' 0 C--O 1.168 -3.225 0 CA-C-N 113.144 -1.528 . . . . 36.82 111.407 170.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.8 mt -94.13 109.42 22.03 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.569 0 C-N-CA 125.259 1.423 . . . . 32.82 107.818 169.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.7 mt -81.71 -32.75 31.5 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-O 123.397 1.57 . . . . 36.079999999999998 110.369 177.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' MSE . . . . . 1.294 ' CE ' 'SE ' ' A' ' 105' ' ' MSE . 21.1 ttm -156.47 132.05 5.62 Favored Pre-proline 0 N--CA 1.403 -2.82 0 CA-C-N 114.518 -1.219 . . . . 60.869999999999997 110.89 169.383 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -89.33 178.11 2.62 Favored 'Trans proline' 0 CA--C 1.457 -3.345 0 O-C-N 123.099 1.052 . . . . 39.259999999999998 110.58 -174.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.594 ' HD2' ' O ' ' A' ' 146' ' ' HOH . 0.3 OUTLIER -62.74 124.58 21.4 Favored 'General case' 0 C--O 1.252 1.228 0 O-C-N 126.639 2.462 . . . . 40.859999999999999 106.671 -168.746 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 89.6 m -150.76 134.65 16.68 Favored 'General case' 0 N--CA 1.434 -1.229 0 CA-C-O 122.529 1.157 . . . . 43.93 108.218 -162.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.09 115.21 23.53 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 106.82 -1.548 . . . . 57.649999999999999 106.82 -178.856 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' MSE . . . . . 1.137 'SE ' ' CE ' ' A' ' 110' ' ' MSE . 4.5 ttp -142.54 94.15 6.8 Favored Pre-proline 0 N--CA 1.382 -3.836 0 C-N-CA 116.471 -2.092 . . . . 65.099999999999994 108.371 -161.79 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.49 149.4 57.5 Favored 'Trans proline' 0 C--O 1.279 2.559 0 O-C-N 123.901 1.474 . . . . 49.049999999999997 108.824 179.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -71.11 22.39 0.54 Allowed 'Cis proline' 1 N--CA 1.558 5.28 1 N-CA-C 123.183 4.263 . . . . 46.170000000000002 123.183 -13.067 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -103.12 143.56 32.44 Favored 'General case' 0 N--CA 1.423 -1.786 0 O-C-N 121.302 -0.874 . . . . 42.189999999999998 109.098 178.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.69 ' HB3' HD22 ' A' ' 131' ' ' LEU . . . -58.9 -38.31 78.57 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-O 123.437 1.589 . . . . 38.670000000000002 109.716 165.813 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -156.67 154.46 30.14 Favored 'General case' 0 C--O 1.184 -2.384 0 O-C-N 119.833 -1.792 . . . . 51.799999999999997 107.288 -176.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -154.74 144.27 21.39 Favored 'General case' 0 N--CA 1.399 -3.008 0 N-CA-C 105.503 -2.036 . . . . 23.629999999999999 105.503 -176.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -148.04 157.7 43.66 Favored 'General case' 0 C--O 1.203 -1.346 0 CA-C-O 122.374 1.083 . . . . 21.920000000000002 108.871 175.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -137.96 115.14 10.96 Favored 'General case' 0 N--CA 1.381 -3.906 0 CA-C-N 114.635 -1.166 . . . . 39.289999999999999 110.436 179.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.9 t -126.98 130.05 71.3 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.858 0 CA-C-N 113.918 -1.492 . . . . 28.52 111.692 -172.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -94.58 125.72 39.41 Favored 'General case' 0 C--N 1.288 -2.098 0 O-C-N 120.056 -1.652 . . . . 36.259999999999998 112.824 159.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.517 ' C ' ' OD1' ' A' ' 121' ' ' ASP . 18.8 p30 -80.75 178.21 8.52 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 118.807 -1.157 . . . . 39.399999999999999 108.939 -176.551 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -60.0 -25.0 64.92 Favored 'General case' 0 CA--C 1.462 -2.425 0 CA-C-N 114.78 -1.1 . . . . 48.859999999999999 113.063 -171.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -95.48 2.12 54.28 Favored 'General case' 0 N--CA 1.5 2.069 0 CA-C-O 124.044 1.878 . . . . 30.510000000000002 110.269 -179.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 97.67 -0.7 59.61 Favored Glycine 1 C--O 1.141 -5.663 1 C-N-CA 112.021 -4.895 . . . . 30.300000000000001 121.489 178.679 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 46.6 t -93.48 136.43 25.27 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 CA-C-N 122.776 3.288 . . . . 26.02 110.511 -179.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 28.0 m -89.8 132.99 34.95 Favored 'General case' 0 CA--C 1.429 -3.68 0 N-CA-C 106.036 -1.839 . . . . 31.699999999999999 106.036 -177.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -118.47 126.35 51.85 Favored 'General case' 0 CA--C 1.483 -1.6 0 O-C-N 128.219 3.45 . . . . 20.039999999999999 110.733 169.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -100.99 128.67 46.92 Favored 'General case' 0 CA--C 1.475 -1.926 0 N-CA-C 107.781 -1.192 . . . . 31.48 107.781 166.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.504 HD12 ' HE1' ' A' ' 90' ' ' MSE . 6.8 mt -110.14 115.94 30.63 Favored 'General case' 0 CA--C 1.49 -1.36 0 O-C-N 128.4 3.563 . . . . 23.859999999999999 112.553 177.979 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -126.37 118.32 24.78 Favored 'General case' 0 N--CA 1.414 -2.232 0 C-N-CA 118.266 -1.374 . . . . 29.239999999999998 109.238 -167.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.69 HD22 ' HB3' ' A' ' 114' ' ' ARG . 4.2 tt -99.4 109.43 54.83 Favored Pre-proline 0 C--O 1.193 -1.872 0 O-C-N 121.417 -0.802 . . . . 37.600000000000001 110.081 176.374 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -61.89 -50.39 5.24 Favored 'Trans proline' 0 CA--C 1.591 3.341 0 N-CA-C 117.529 2.088 . . . . 37.600000000000001 117.529 -177.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.944 0 N-CA-C 113.319 0.859 . . . . 40.810000000000002 113.319 -170.874 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' HOH . . . . . 0.594 ' O ' ' HD2' ' A' ' 107' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HOH . . . . . 0.669 ' O ' ' HG2' ' A' ' 50' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . 0.465 ' O ' ' CB ' ' A' ' 65' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . 0.634 ' O ' ' HB2' ' A' ' 45' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_