data_2ont_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 2ont _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 ' 148' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.606 0 N-CA-C 111.947 0.351 . . . . 16.699999999999999 111.947 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.3 t -85.35 162.32 19.12 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.823 0.849 . . . . 15.76 112.805 162.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 9.6 tp -63.66 -28.33 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 CA-C-N 115.839 -0.619 . . . . 14.49 112.228 -176.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' LEU . . . . . 0.563 ' CB ' ' O ' ' A' ' 15' ' ' HOH . 19.2 mt -81.11 -6.83 59.28 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.343 -0.844 . . . . 15.73 111.219 -174.162 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -94.48 -26.3 16.52 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 124.272 0.983 . . . . 21.57 113.271 -178.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 22.8 mm -63.18 99.45 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 122.995 0.518 . . . . 19.800000000000001 111.752 -179.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' ARG . . . . . 0.501 ' O ' ' NH2' ' A' ' 167' ' ' ARG . 7.6 mmt180 -104.34 144.07 32.13 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 103.776 -2.676 . . . . 26.989999999999998 103.776 171.717 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -78.05 138.47 38.8 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 107.417 -1.327 . . . . 17.649999999999999 107.417 169.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -70.57 172.69 41.95 Favored Glycine 0 N--CA 1.475 1.267 0 CA-C-O 119.221 -0.766 . . . . 16.359999999999999 111.702 171.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -93.65 4.32 3.04 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 N-CA-C 115.339 1.246 . . . . 15.98 115.339 170.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . . . -119.58 12.71 12.38 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.4 -0.593 . . . . 15.65 109.4 169.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' GLU . . . . . 0.529 ' O ' ' O ' ' A' ' 14' ' ' HOH . 49.9 tt0 -98.67 125.82 41.18 Favored Pre-proline 0 CA--C 1.5 -0.962 0 N-CA-C 109.86 -0.422 . . . . 15.75 109.86 -175.177 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -63.14 136.01 53.83 Favored 'Trans proline' 0 N--CA 1.443 -1.47 0 N-CA-C 108.297 -1.463 . . . . 15.119999999999999 108.297 176.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -55.23 -28.17 51.31 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 115.764 1.764 . . . . 16.41 115.764 -177.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' ARG . . . . . 0.593 ' NE ' ' O ' ' A' ' 7' ' ' HOH . 16.7 mtp85 -76.43 -29.54 57.05 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.384 -0.969 . . . . 15.779999999999999 108.384 -178.57 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -74.71 -37.13 62.67 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 124.633 1.208 . . . . 21.149999999999999 109.813 -178.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -63.34 -47.77 80.76 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 122.821 0.448 . . . . 16.390000000000001 109.878 172.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 11.3 t -58.52 -39.78 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 122.914 0.486 . . . . 16.16 111.817 -179.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -67.18 -46.12 74.92 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.671 0.789 . . . . 20.34 109.505 178.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' ARG . . . . . 0.501 ' NH2' ' O ' ' A' ' 154' ' ' ARG . 32.1 mtm105 -55.55 -57.76 10.58 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 118.443 0.565 . . . . 17.609999999999999 110.674 172.581 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -40.58 -54.67 2.5 Favored 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 112.353 0.501 . . . . 15.619999999999999 112.353 174.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -74.9 -33.63 62.07 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 117.291 2.33 . . . . 17.440000000000001 117.291 -174.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -58.67 -46.31 87.48 Favored 'General case' 0 CA--C 1.57 1.714 0 CA-C-N 119.029 0.832 . . . . 14.48 109.319 170.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 32.0 m -64.02 -50.8 67.05 Favored 'General case' 0 C--O 1.214 -0.812 0 N-CA-C 108.581 -0.896 . . . . 16.100000000000001 108.581 178.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.82 -39.3 65.41 Favored 'General case' 0 C--O 1.259 1.595 0 CA-C-O 118.798 -0.62 . . . . 15.66 111.494 -178.793 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 16.3 mtm105 -71.85 -29.04 63.97 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.575 0.954 . . . . 15.300000000000001 113.575 -177.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -80.55 -26.27 38.11 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-N 115.407 -0.815 . . . . 15.699999999999999 111.403 178.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' GLU . . . . . 0.463 ' CG ' ' CG1' ' A' ' 180' ' ' VAL . 0.8 OUTLIER -56.42 148.75 18.35 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.56 0.695 . . . . 33.57 110.295 165.124 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . . . -89.32 129.8 35.8 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 106.28 -1.748 . . . . 18.510000000000002 106.28 177.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 1.3 m -45.7 -45.37 14.25 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 124.747 1.279 . . . . 19.02 114.335 -176.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.87 -34.16 77.5 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 115.35 1.611 . . . . 24.879999999999999 115.35 -179.594 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -64.9 -55.93 16.39 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 121.157 -0.217 . . . . 22.449999999999999 110.47 177.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' VAL . . . . . 0.463 ' CG1' ' CG ' ' A' ' 175' ' ' GLU . 15.7 m -58.49 -39.43 75.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 N-CA-C 112.004 0.372 . . . . 16.870000000000001 112.004 -176.36 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 181' ' ' LYS . . . . . 0.412 ' O ' ' CG2' ' A' ' 185' ' ' THR . 0.2 OUTLIER -56.43 -51.05 69.83 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.513 0.931 . . . . 18.829999999999998 113.513 179.52 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 182' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -66.67 -44.73 81.04 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 116.383 -0.372 . . . . 17.870000000000001 110.878 177.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -56.57 -47.75 78.85 Favored 'General case' 0 N--CA 1.427 -1.582 0 C-N-CA 116.85 -1.94 . . . . 20.809999999999999 108.799 176.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 184' ' ' MET . . . . . . . . . . . . . 1.2 ttm -45.15 -60.44 2.11 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 124.3 1.04 . . . . 19.079999999999998 112.354 174.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 185' ' ' THR . . . . . 0.412 ' CG2' ' O ' ' A' ' 181' ' ' LYS . 1.6 p -73.88 -33.14 63.92 Favored 'General case' 0 N--CA 1.443 -0.805 0 O-C-N 124.99 1.431 . . . . 15.4 111.968 -165.084 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -42.85 73.21 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 121.104 0.478 . . . . 35.07 110.045 175.648 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 56.5 m -53.08 -45.77 68.32 Favored 'General case' 0 N--CA 1.437 -1.115 0 C-N-CA 119.525 -0.87 . . . . 17.98 110.466 174.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.16 -41.41 81.59 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 109.561 -0.533 . . . . 17.690000000000001 109.561 -177.264 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 6.8 tp -61.64 -39.46 91.41 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 116.11 -0.495 . . . . 13.779999999999999 111.762 -179.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 69.7 t -71.98 -42.08 68.45 Favored 'Isoleucine or valine' 0 C--O 1.247 0.941 0 C-N-CA 120.037 -0.665 . . . . 16.949999999999999 109.57 179.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.44 -26.15 67.07 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 109.16 -0.681 . . . . 28.129999999999999 109.16 -173.08 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -98.63 -0.78 42.33 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 115.997 1.851 . . . . 14.91 115.997 -177.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 193' ' ' ALA . . . . . . . . . . . . . . . -75.3 149.51 38.74 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 108.634 -0.876 . . . . 16.079999999999998 108.634 177.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -52.08 161.53 0.97 Allowed Pre-proline 0 CA--C 1.56 1.333 0 N-CA-C 114.621 1.341 . . . . 17.359999999999999 114.621 177.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 195' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -62.98 -35.91 63.24 Favored 'Trans proline' 0 CA--C 1.548 1.219 0 C-N-CA 116.256 -2.029 . . . . 18.739999999999998 114.444 -174.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . . . -61.19 -54.79 39.85 Favored 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 114.506 1.299 . . . . 19.84 114.506 175.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 197' ' ' CYS . . . . . . . . . . . . . 26.1 m -61.26 -55.27 33.83 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 121.174 -0.954 . . . . 19.789999999999999 111.643 179.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 198' ' ' LYS . . . . . . . . . . . . . 56.7 tttt -36.93 -30.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 114.784 1.402 . . . . 23.199999999999999 114.784 178.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 199' ' ' THR . . . . . . . . . . . . . 33.2 m -70.59 -50.25 39.21 Favored 'General case' 0 CA--C 1.509 -0.628 0 C-N-CA 124.279 1.032 . . . . 18.559999999999999 111.894 -178.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 23.1 mt -63.81 -42.01 94.46 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.919 0 O-C-N 124.863 1.352 . . . . 17.039999999999999 107.565 179.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 81.8 mt -60.43 -45.46 93.57 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 115.36 -0.836 . . . . 17.949999999999999 112.76 -176.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -70.86 -37.4 73.09 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 120.365 -0.534 . . . . 20.969999999999999 110.339 177.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' ALA . . . . . . . . . . . . . . . -64.16 -2.84 2.27 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 113.502 0.927 . . . . 16.789999999999999 113.502 177.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 32.7 mt -87.27 -10.77 51.53 Favored 'General case' 0 C--O 1.246 0.893 0 N-CA-C 113.372 0.879 . . . . 13.16 113.372 174.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . 72.38 171.11 16.93 Favored Glycine 0 C--O 1.241 0.578 0 C-N-CA 121.098 -0.572 . . . . 9.0999999999999996 112.236 -176.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -59.84 145.51 98.07 Favored 'Trans proline' 0 C--N 1.359 1.121 0 C-N-CA 124.121 3.214 . . . . 9.7899999999999991 110.544 -174.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 91.06 5.59 67.74 Favored Glycine 0 C--O 1.239 0.464 0 N-CA-C 116.532 1.373 . . . . 10.390000000000001 116.532 161.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' ALA . . . . . . . . . . . . . . . -63.38 142.74 58.28 Favored 'General case' 0 C--O 1.252 1.208 0 CA-C-O 122.75 1.262 . . . . 14.23 110.59 -179.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.26 161.94 30.26 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 113.63 -1.623 . . . . 14.199999999999999 111.852 174.222 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 11.4 tp -63.04 -48.4 78.87 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.844 -0.535 . . . . 15.789999999999999 110.117 174.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -46.76 -55.4 7.9 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 124.889 1.276 . . . . 27.440000000000001 109.611 172.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -56.42 -38.84 72.11 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 114.998 1.481 . . . . 17.760000000000002 114.998 174.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' MET . . . . . . . . . . . . . 37.6 mtt -63.51 -44.73 93.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.617 0.722 . . . . 16.379999999999999 111.407 -179.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 20.6 mtp -73.6 -39.57 64.49 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.039 -0.982 . . . . 18.239999999999998 110.179 -178.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 6.4 m -56.71 -47.77 79.19 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 107.376 -1.342 . . . . 19.829999999999998 107.376 176.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -67.65 -22.77 65.3 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 113.626 0.973 . . . . 16.989999999999998 113.626 -174.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' CYS . . . . . . . . . . . . . 92.9 m -99.7 12.94 35.28 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.941 1.46 . . . . 16.760000000000002 114.941 -173.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -57.25 134.06 55.61 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.738 0.644 . . . . 22.02 112.738 -178.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' GLY . . . . . . . . . . . . . . . 92.24 -23.95 24.64 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 117.239 1.656 . . . . 19.859999999999999 117.239 175.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 108.09 -1.078 . . . . 19.780000000000001 108.09 170.832 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' HOH . . . . . 0.593 ' O ' ' NE ' ' A' ' 162' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' HOH . . . . . 0.529 ' O ' ' O ' ' A' ' 159' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HOH . . . . . 0.563 ' O ' ' CB ' ' A' ' 151' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' HOH . . . . . 0.431 ' O ' ' NE ' ' A' ' 154' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.606 0 N-CA-C 111.947 0.351 . . . . 16.7 111.947 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.3 t -85.35 162.32 19.12 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.823 0.849 . . . . 15.76 112.805 162.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 9.6 tp -63.66 -28.33 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 CA-C-N 115.839 -0.619 . . . . 14.49 112.228 -176.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 151' ' ' LEU . . . . . 0.966 ' HB3' ' O ' ' A' ' 15' ' ' HOH . 19.2 mt -81.11 -6.83 59.28 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.343 -0.844 . . . . 15.73 111.219 -174.162 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -94.48 -26.3 16.52 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 124.272 0.983 . . . . 21.57 113.271 -178.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 22.8 mm -63.18 99.45 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 122.995 0.518 . . . . 19.8 111.752 -179.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 154' ' ' ARG . . . . . 0.494 ' O ' ' NH2' ' A' ' 167' ' ' ARG . 7.6 mmt180 -104.34 144.07 32.13 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 103.776 -2.676 . . . . 26.99 103.776 171.717 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 155' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 156' ' ' GLY . 9.7 tt0 -78.05 138.47 38.8 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 107.417 -1.327 . . . . 17.65 107.417 169.654 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 156' ' ' GLY . . . . . 0.519 ' O ' ' HG2' ' A' ' 155' ' ' GLN . . . -70.57 172.69 41.95 Favored Glycine 0 N--CA 1.475 1.267 0 CA-C-O 119.221 -0.766 . . . . 16.36 111.702 171.935 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -93.65 4.32 3.04 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 N-CA-C 115.339 1.246 . . . . 15.98 115.339 170.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . . . -119.58 12.71 12.38 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.4 -0.593 . . . . 15.65 109.4 169.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 159' ' ' GLU . . . . . 0.529 ' O ' ' O ' ' A' ' 14' ' ' HOH . 49.9 tt0 -98.67 125.82 41.18 Favored Pre-proline 0 CA--C 1.5 -0.962 0 N-CA-C 109.86 -0.422 . . . . 15.75 109.86 -175.177 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -63.14 136.01 53.83 Favored 'Trans proline' 0 N--CA 1.443 -1.47 0 N-CA-C 108.297 -1.463 . . . . 15.12 108.297 176.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -55.23 -28.17 51.31 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 115.764 1.764 . . . . 16.41 115.764 -177.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 162' ' ' ARG . . . . . 0.541 ' HG3' ' O ' ' A' ' 8' ' ' HOH . 16.7 mtp85 -76.43 -29.54 57.05 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.384 -0.969 . . . . 15.78 108.384 -178.57 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -74.71 -37.13 62.67 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 124.633 1.208 . . . . 21.15 109.813 -178.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 164' ' ' TYR . . . . . 0.505 ' CG ' ' HB2' ' A' ' 155' ' ' GLN . 16.9 t80 -63.34 -47.77 80.76 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 122.821 0.448 . . . . 16.39 109.878 172.956 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 11.3 t -58.52 -39.78 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 122.914 0.486 . . . . 16.16 111.817 -179.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -67.18 -46.12 74.92 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.671 0.789 . . . . 20.34 109.505 178.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 167' ' ' ARG . . . . . 0.494 ' NH2' ' O ' ' A' ' 154' ' ' ARG . 32.1 mtm105 -55.55 -57.76 10.58 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 118.443 0.565 . . . . 17.61 110.674 172.581 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 168' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -40.58 -54.67 2.5 Favored 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 112.353 0.501 . . . . 15.62 112.353 174.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -74.9 -33.63 62.07 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 117.291 2.33 . . . . 17.44 117.291 -174.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -58.67 -46.31 87.48 Favored 'General case' 0 CA--C 1.57 1.714 0 CA-C-N 119.029 0.832 . . . . 14.48 109.319 170.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 32.0 m -64.02 -50.8 67.05 Favored 'General case' 0 C--O 1.214 -0.812 0 N-CA-C 108.581 -0.896 . . . . 16.1 108.581 178.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.82 -39.3 65.41 Favored 'General case' 0 C--O 1.259 1.595 0 CA-C-O 118.798 -0.62 . . . . 15.66 111.494 -178.793 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 16.3 mtm105 -71.85 -29.04 63.97 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.575 0.954 . . . . 15.3 113.575 -177.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -80.55 -26.27 38.11 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-N 115.407 -0.815 . . . . 15.7 111.403 178.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 175' ' ' GLU . . . . . 0.727 ' HG2' ' CG1' ' A' ' 180' ' ' VAL . 0.8 OUTLIER -56.42 148.75 18.35 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.56 0.695 . . . . 33.57 110.295 165.124 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . . . -89.32 129.8 35.8 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 106.28 -1.748 . . . . 18.51 106.28 177.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 1.3 m -45.7 -45.37 14.25 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 124.747 1.279 . . . . 19.02 114.335 -176.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -65.87 -34.16 77.5 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 115.35 1.611 . . . . 24.88 115.35 -179.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -64.9 -55.93 16.39 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 121.157 -0.217 . . . . 22.45 110.47 177.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 180' ' ' VAL . . . . . 0.727 ' CG1' ' HG2' ' A' ' 175' ' ' GLU . 15.7 m -58.49 -39.43 75.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 N-CA-C 112.004 0.372 . . . . 16.87 112.004 -176.36 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 181' ' ' LYS . . . . . 0.884 ' O ' HG23 ' A' ' 185' ' ' THR . 0.2 OUTLIER -56.43 -51.05 69.83 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.513 0.931 . . . . 18.83 113.513 179.52 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 182' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -66.67 -44.73 81.04 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 116.383 -0.372 . . . . 17.87 110.878 177.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 183' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -56.57 -47.75 78.85 Favored 'General case' 0 N--CA 1.427 -1.582 0 C-N-CA 116.85 -1.94 . . . . 20.81 108.799 176.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 184' ' ' MET . . . . . 0.431 ' HB3' ' O ' ' A' ' 181' ' ' LYS . 1.2 ttm -45.15 -60.44 2.11 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 124.3 1.04 . . . . 19.08 112.354 174.823 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 185' ' ' THR . . . . . 0.884 HG23 ' O ' ' A' ' 181' ' ' LYS . 1.6 p -73.88 -33.14 63.92 Favored 'General case' 0 N--CA 1.443 -0.805 0 O-C-N 124.99 1.431 . . . . 15.4 111.968 -165.084 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -42.85 73.21 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 121.104 0.478 . . . . 35.07 110.045 175.648 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 56.5 m -53.08 -45.77 68.32 Favored 'General case' 0 N--CA 1.437 -1.115 0 C-N-CA 119.525 -0.87 . . . . 17.98 110.466 174.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.16 -41.41 81.59 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 109.561 -0.533 . . . . 17.69 109.561 -177.264 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 6.8 tp -61.64 -39.46 91.41 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 116.11 -0.495 . . . . 13.78 111.762 -179.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 69.7 t -71.98 -42.08 68.45 Favored 'Isoleucine or valine' 0 C--O 1.247 0.941 0 C-N-CA 120.037 -0.665 . . . . 16.95 109.57 179.871 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.44 -26.15 67.07 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 109.16 -0.681 . . . . 28.13 109.16 -173.08 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -98.63 -0.78 42.33 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 115.997 1.851 . . . . 14.91 115.997 -177.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 193' ' ' ALA . . . . . . . . . . . . . . . -75.3 149.51 38.74 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 108.634 -0.876 . . . . 16.08 108.634 177.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -52.08 161.53 0.97 Allowed Pre-proline 0 CA--C 1.56 1.333 0 N-CA-C 114.621 1.341 . . . . 17.36 114.621 177.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 195' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -62.98 -35.91 63.24 Favored 'Trans proline' 0 CA--C 1.548 1.219 0 C-N-CA 116.256 -2.029 . . . . 18.74 114.444 -174.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . . . -61.19 -54.79 39.85 Favored 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 114.506 1.299 . . . . 19.84 114.506 175.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 197' ' ' CYS . . . . . . . . . . . . . 26.1 m -61.26 -55.27 33.83 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 121.174 -0.954 . . . . 19.79 111.643 179.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 198' ' ' LYS . . . . . . . . . . . . . 56.7 tttt -36.93 -30.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 114.784 1.402 . . . . 23.2 114.784 178.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 199' ' ' THR . . . . . . . . . . . . . 33.2 m -70.59 -50.25 39.21 Favored 'General case' 0 CA--C 1.509 -0.628 0 C-N-CA 124.279 1.032 . . . . 18.56 111.894 -178.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 23.1 mt -63.81 -42.01 94.46 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.919 0 O-C-N 124.863 1.352 . . . . 17.04 107.565 179.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 81.8 mt -60.43 -45.46 93.57 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 115.36 -0.836 . . . . 17.95 112.76 -176.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -70.86 -37.4 73.09 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 120.365 -0.534 . . . . 20.97 110.339 177.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' ALA . . . . . . . . . . . . . . . -64.16 -2.84 2.27 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 113.502 0.927 . . . . 16.79 113.502 177.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 32.7 mt -87.27 -10.77 51.53 Favored 'General case' 0 C--O 1.246 0.893 0 N-CA-C 113.372 0.879 . . . . 13.16 113.372 174.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . 72.38 171.11 16.93 Favored Glycine 0 C--O 1.241 0.578 0 C-N-CA 121.098 -0.572 . . . . 9.1 112.236 -176.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 206' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -59.84 145.51 98.07 Favored 'Trans proline' 0 C--N 1.359 1.121 0 C-N-CA 124.121 3.214 . . . . 9.79 110.544 -174.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 91.06 5.59 67.74 Favored Glycine 0 C--O 1.239 0.464 0 N-CA-C 116.532 1.373 . . . . 10.39 116.532 161.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 208' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 4' ' ' HOH . . . -63.38 142.74 58.28 Favored 'General case' 0 C--O 1.252 1.208 0 CA-C-O 122.75 1.262 . . . . 14.23 110.59 -179.084 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 209' ' ' THR . . . . . 0.884 HG22 ' H ' ' A' ' 212' ' ' GLU . 0.7 OUTLIER -71.26 161.94 30.26 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 113.63 -1.623 . . . . 14.2 111.852 174.222 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 11.4 tp -63.04 -48.4 78.87 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.844 -0.535 . . . . 15.79 110.117 174.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 211' ' ' GLU . . . . . 0.69 ' HB2' ' O ' ' A' ' 3' ' ' HOH . 3.1 tt0 -46.76 -55.4 7.9 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 124.889 1.276 . . . . 27.44 109.611 172.191 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 212' ' ' GLU . . . . . 0.884 ' H ' HG22 ' A' ' 209' ' ' THR . 43.2 mt-10 -56.42 -38.84 72.11 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 114.998 1.481 . . . . 17.76 114.998 174.193 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 213' ' ' MET . . . . . 0.596 ' HG3' ' O ' ' A' ' 209' ' ' THR . 37.6 mtt -63.51 -44.73 93.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.617 0.722 . . . . 16.38 111.407 -179.125 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 20.6 mtp -73.6 -39.57 64.49 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.039 -0.982 . . . . 18.24 110.179 -178.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 6.4 m -56.71 -47.77 79.19 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 107.376 -1.342 . . . . 19.83 107.376 176.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -67.65 -22.77 65.3 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 113.626 0.973 . . . . 16.99 113.626 -174.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 217' ' ' CYS . . . . . . . . . . . . . 92.9 m -99.7 12.94 35.28 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.941 1.46 . . . . 16.76 114.941 -173.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -57.25 134.06 55.61 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.738 0.644 . . . . 22.02 112.738 -178.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 219' ' ' GLY . . . . . . . . . . . . . . . 92.24 -23.95 24.64 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 117.239 1.656 . . . . 19.86 117.239 175.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 220' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 108.09 -1.078 . . . . 19.78 108.09 170.832 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' HOH . . . . . 0.69 ' O ' ' HB2' ' A' ' 211' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' HOH . . . . . 0.515 ' O ' ' HB3' ' A' ' 208' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' HOH . . . . . 0.541 ' O ' ' HG3' ' A' ' 162' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 14' ' ' HOH . . . . . 0.529 ' O ' ' O ' ' A' ' 159' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HOH . . . . . 0.966 ' O ' ' HB3' ' A' ' 151' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' HOH . . . . . 0.693 ' O ' ' HG ' ' A' ' 151' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' HOH . . . . . 0.431 ' O ' ' NE ' ' A' ' 154' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 19' ' ' HOH . . . . . 0.459 ' O ' ' HG2' ' A' ' 211' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.606 0 N-CA-C 111.947 0.351 . . . . 16.7 111.947 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.3 t -85.35 162.32 19.12 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.823 0.849 . . . . 15.76 112.805 162.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' ILE . . . . . . . . . . . . . 9.6 tp -63.66 -28.33 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 CA-C-N 115.839 -0.619 . . . . 14.49 112.228 -176.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.966 ' HB3' ' O ' ' A' ' 15' ' ' HOH . 19.2 mt -81.11 -6.83 59.28 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.343 -0.844 . . . . 15.73 111.219 -174.162 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -94.48 -26.3 16.52 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 124.272 0.983 . . . . 21.57 113.271 -178.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 22.8 mm -63.18 99.45 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 122.995 0.518 . . . . 19.8 111.752 -179.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.494 ' O ' ' NH2' ' A' ' 167' ' ' ARG . 7.6 mmt180 -104.34 144.07 32.13 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 103.776 -2.676 . . . . 26.99 103.776 171.717 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.519 ' HG2' ' O ' ' A' ' 156' ' ' GLY . 47.2 tt0 -78.05 138.47 38.8 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 107.417 -1.327 . . . . 17.65 107.417 169.654 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' GLY . . . . . 0.519 ' O ' ' HG2' ' A' ' 155' ' ' GLN . . . -70.57 172.69 41.95 Favored Glycine 0 N--CA 1.475 1.267 0 CA-C-O 119.221 -0.766 . . . . 16.36 111.702 171.935 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -93.65 4.32 3.04 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 N-CA-C 115.339 1.246 . . . . 15.98 115.339 170.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . . . -119.58 12.71 12.38 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 109.4 -0.593 . . . . 15.65 109.4 169.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.529 ' O ' ' O ' ' A' ' 14' ' ' HOH . 49.9 tt0 -98.67 125.82 41.18 Favored Pre-proline 0 CA--C 1.5 -0.962 0 N-CA-C 109.86 -0.422 . . . . 15.75 109.86 -175.177 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -63.14 136.01 53.83 Favored 'Trans proline' 0 N--CA 1.443 -1.47 0 N-CA-C 108.297 -1.463 . . . . 15.12 108.297 176.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -55.23 -28.17 51.31 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 115.764 1.764 . . . . 16.41 115.764 -177.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.541 ' HG3' ' O ' ' A' ' 8' ' ' HOH . 16.7 mtp85 -76.43 -29.54 57.05 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.384 -0.969 . . . . 15.78 108.384 -178.57 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -74.71 -37.13 62.67 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 124.633 1.208 . . . . 21.15 109.813 -178.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' TYR . . . . . 0.505 ' CG ' ' HB2' ' A' ' 155' ' ' GLN . 16.9 t80 -63.34 -47.77 80.76 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 122.821 0.448 . . . . 16.39 109.878 172.956 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 11.3 t -58.52 -39.78 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 122.914 0.486 . . . . 16.16 111.817 -179.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -67.18 -46.12 74.92 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.671 0.789 . . . . 20.34 109.505 178.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' ARG . . . . . 0.494 ' NH2' ' O ' ' A' ' 154' ' ' ARG . 32.1 mtm105 -55.55 -57.76 10.58 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 118.443 0.565 . . . . 17.61 110.674 172.581 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -40.58 -54.67 2.5 Favored 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 112.353 0.501 . . . . 15.62 112.353 174.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -74.9 -33.63 62.07 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 117.291 2.33 . . . . 17.44 117.291 -174.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . . . -58.67 -46.31 87.48 Favored 'General case' 0 CA--C 1.57 1.714 0 CA-C-N 119.029 0.832 . . . . 14.48 109.319 170.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' THR . . . . . . . . . . . . . 32.0 m -64.02 -50.8 67.05 Favored 'General case' 0 C--O 1.214 -0.812 0 N-CA-C 108.581 -0.896 . . . . 16.1 108.581 178.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.82 -39.3 65.41 Favored 'General case' 0 C--O 1.259 1.595 0 CA-C-O 118.798 -0.62 . . . . 15.66 111.494 -178.793 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 16.3 mtm105 -71.85 -29.04 63.97 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.575 0.954 . . . . 15.3 113.575 -177.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -80.55 -26.27 38.11 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-N 115.407 -0.815 . . . . 15.7 111.403 178.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.727 ' HG2' ' CG1' ' A' ' 180' ' ' VAL . 0.8 OUTLIER -56.42 148.75 18.35 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.56 0.695 . . . . 33.57 110.295 165.124 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . . . -89.32 129.8 35.8 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 106.28 -1.748 . . . . 18.51 106.28 177.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 1.3 m -45.7 -45.37 14.25 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 124.747 1.279 . . . . 19.02 114.335 -176.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.87 -34.16 77.5 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 115.35 1.611 . . . . 24.88 115.35 -179.594 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -64.9 -55.93 16.39 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 121.157 -0.217 . . . . 22.45 110.47 177.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.727 ' CG1' ' HG2' ' A' ' 175' ' ' GLU . 15.7 m -58.49 -39.43 75.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 N-CA-C 112.004 0.372 . . . . 16.87 112.004 -176.36 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 181' ' ' LYS . . . . . 0.884 ' O ' HG23 ' A' ' 185' ' ' THR . 0.2 OUTLIER -56.43 -51.05 69.83 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.513 0.931 . . . . 18.83 113.513 179.52 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 182' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -66.67 -44.73 81.04 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 116.383 -0.372 . . . . 17.87 110.878 177.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -56.57 -47.75 78.85 Favored 'General case' 0 N--CA 1.427 -1.582 0 C-N-CA 116.85 -1.94 . . . . 20.81 108.799 176.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 184' ' ' MET . . . . . 0.431 ' HB3' ' O ' ' A' ' 181' ' ' LYS . 1.2 ttm -45.15 -60.44 2.11 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 124.3 1.04 . . . . 19.08 112.354 174.823 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 185' ' ' THR . . . . . 0.884 HG23 ' O ' ' A' ' 181' ' ' LYS . 1.6 p -73.88 -33.14 63.92 Favored 'General case' 0 N--CA 1.443 -0.805 0 O-C-N 124.99 1.431 . . . . 15.4 111.968 -165.084 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -42.85 73.21 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 121.104 0.478 . . . . 35.07 110.045 175.648 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 187' ' ' THR . . . . . . . . . . . . . 56.5 m -53.08 -45.77 68.32 Favored 'General case' 0 N--CA 1.437 -1.115 0 C-N-CA 119.525 -0.87 . . . . 17.98 110.466 174.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.16 -41.41 81.59 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 109.561 -0.533 . . . . 17.69 109.561 -177.264 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 6.8 tp -61.64 -39.46 91.41 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 116.11 -0.495 . . . . 13.78 111.762 -179.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 69.7 t -71.98 -42.08 68.45 Favored 'Isoleucine or valine' 0 C--O 1.247 0.941 0 C-N-CA 120.037 -0.665 . . . . 16.95 109.57 179.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.44 -26.15 67.07 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 109.16 -0.681 . . . . 28.13 109.16 -173.08 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 192' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -98.63 -0.78 42.33 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 115.997 1.851 . . . . 14.91 115.997 -177.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 193' ' ' ALA . . . . . . . . . . . . . . . -75.3 149.51 38.74 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 108.634 -0.876 . . . . 16.08 108.634 177.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 194' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -52.08 161.53 0.97 Allowed Pre-proline 0 CA--C 1.56 1.333 0 N-CA-C 114.621 1.341 . . . . 17.36 114.621 177.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 195' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -62.98 -35.91 63.24 Favored 'Trans proline' 0 CA--C 1.548 1.219 0 C-N-CA 116.256 -2.029 . . . . 18.74 114.444 -174.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 196' ' ' ASP . . . . . . . . . . . . . . . -61.19 -54.79 39.85 Favored 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 114.506 1.299 . . . . 19.84 114.506 175.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 197' ' ' CYS . . . . . . . . . . . . . 26.1 m -61.26 -55.27 33.83 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 121.174 -0.954 . . . . 19.79 111.643 179.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 198' ' ' LYS . . . . . . . . . . . . . 56.7 tttt -36.93 -30.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 114.784 1.402 . . . . 23.2 114.784 178.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 199' ' ' THR . . . . . . . . . . . . . 33.2 m -70.59 -50.25 39.21 Favored 'General case' 0 CA--C 1.509 -0.628 0 C-N-CA 124.279 1.032 . . . . 18.56 111.894 -178.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 200' ' ' ILE . . . . . . . . . . . . . 23.1 mt -63.81 -42.01 94.46 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.919 0 O-C-N 124.863 1.352 . . . . 17.04 107.565 179.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' LEU . . . . . . . . . . . . . 81.8 mt -60.43 -45.46 93.57 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 115.36 -0.836 . . . . 17.95 112.76 -176.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -70.86 -37.4 73.09 Favored 'General case' 0 C--O 1.243 0.756 0 C-N-CA 120.365 -0.534 . . . . 20.97 110.339 177.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' ALA . . . . . . . . . . . . . . . -64.16 -2.84 2.27 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 113.502 0.927 . . . . 16.79 113.502 177.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 32.7 mt -87.27 -10.77 51.53 Favored 'General case' 0 C--O 1.246 0.893 0 N-CA-C 113.372 0.879 . . . . 13.16 113.372 174.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' GLY . . . . . . . . . . . . . . . 72.38 171.11 16.93 Favored Glycine 0 C--O 1.241 0.578 0 C-N-CA 121.098 -0.572 . . . . 9.1 112.236 -176.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -59.84 145.51 98.07 Favored 'Trans proline' 0 C--N 1.359 1.121 0 C-N-CA 124.121 3.214 . . . . 9.79 110.544 -174.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' GLY . . . . . . . . . . . . . . . 91.06 5.59 67.74 Favored Glycine 0 C--O 1.239 0.464 0 N-CA-C 116.532 1.373 . . . . 10.39 116.532 161.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 4' ' ' HOH . . . -63.38 142.74 58.28 Favored 'General case' 0 C--O 1.252 1.208 0 CA-C-O 122.75 1.262 . . . . 14.23 110.59 -179.084 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' THR . . . . . 0.884 HG22 ' H ' ' A' ' 212' ' ' GLU . 0.7 OUTLIER -71.26 161.94 30.26 Favored 'General case' 0 N--CA 1.425 -1.7 0 CA-C-N 113.63 -1.623 . . . . 14.2 111.852 174.222 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 11.4 tp -63.04 -48.4 78.87 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.844 -0.535 . . . . 15.79 110.117 174.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' GLU . . . . . 0.69 ' HB2' ' O ' ' A' ' 3' ' ' HOH . 3.1 tt0 -46.76 -55.4 7.9 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 124.889 1.276 . . . . 27.44 109.611 172.191 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' GLU . . . . . 0.884 ' H ' HG22 ' A' ' 209' ' ' THR . 43.2 mt-10 -56.42 -38.84 72.11 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 114.998 1.481 . . . . 17.76 114.998 174.193 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' MET . . . . . 0.596 ' HG3' ' O ' ' A' ' 209' ' ' THR . 37.6 mtt -63.51 -44.73 93.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.617 0.722 . . . . 16.38 111.407 -179.125 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 20.6 mtp -73.6 -39.57 64.49 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.039 -0.982 . . . . 18.24 110.179 -178.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 6.4 m -56.71 -47.77 79.19 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 107.376 -1.342 . . . . 19.83 107.376 176.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -67.65 -22.77 65.3 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 113.626 0.973 . . . . 16.99 113.626 -174.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' CYS . . . . . . . . . . . . . 92.9 m -99.7 12.94 35.28 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.941 1.46 . . . . 16.76 114.941 -173.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -57.25 134.06 55.61 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.738 0.644 . . . . 22.02 112.738 -178.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' GLY . . . . . . . . . . . . . . . 92.24 -23.95 24.64 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 117.239 1.656 . . . . 19.86 117.239 175.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 108.09 -1.078 . . . . 19.78 108.09 170.832 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' HOH . . . . . 0.69 ' O ' ' HB2' ' A' ' 211' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' HOH . . . . . 0.515 ' O ' ' HB3' ' A' ' 208' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' HOH . . . . . 0.541 ' O ' ' HG3' ' A' ' 162' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' HOH . . . . . 0.529 ' O ' ' O ' ' A' ' 159' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HOH . . . . . 0.966 ' O ' ' HB3' ' A' ' 151' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' HOH . . . . . 0.693 ' O ' ' HG ' ' A' ' 151' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' HOH . . . . . 0.431 ' O ' ' NE ' ' A' ' 154' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' HOH . . . . . 0.459 ' O ' ' HG2' ' A' ' 211' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_