data_1dm4_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 1dm4 _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' H THR . . . . . 0.846 ' CG2' ' N ' ' A' ' 1' G PHE . 1.1 m . . . . . 0 C--O 1.212 -0.904 0 CA-C-O 122.531 1.158 . . . . 50.0 108.898 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' G PHE . . . . . 1.166 ' CD1' ' N ' ' A' ' 1' F GLY 0.353 39.8 p90 -92.9 -117.64 0.09 Allowed 'General case' 0 C--N 1.293 -1.885 2 CA-C-O 129.265 4.365 . . . . 50.0 118.207 -177.589 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 1' F GLY . . . . . 1.166 ' N ' ' CD1' ' A' ' 1' G PHE . . . -41.05 81.12 0.0 OUTLIER Glycine 0 N--CA 1.414 -2.829 1 C-N-CA 136.138 6.59 . . . . 50.0 116.196 179.264 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 1' E SER . . . . . 0.732 ' CA ' ' O ' ' B' ' 123' ' ' LEU . 0.6 OUTLIER 78.67 28.71 0.43 Allowed 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 103.453 -2.795 . . . . 50.0 103.453 -177.943 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 1' D GLY . . . . . 0.714 ' N ' ' O ' ' A' ' 1' G PHE . . . 41.56 -149.8 0.27 Allowed Glycine 0 N--CA 1.419 -2.498 0 N-CA-C 122.292 3.677 . . . . 50.0 122.292 176.909 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 1' C GLU . . . . . 0.607 ' O ' ' O ' ' A' ' 477' ' ' HOH . 2.1 mm-40 -34.92 -71.45 0.07 Allowed 'General case' 0 N--CA 1.412 -2.373 2 C-N-CA 139.525 7.13 . . . . 50.0 124.997 -176.781 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 1' B ALA . . . . . 0.649 ' O ' ' NH2' ' B' ' 206' ' ' ARG . . . 154.49 -41.04 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 123.67 1.7 . . . . 44.81 110.263 179.998 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 1' A ASP . . . . . 0.471 ' O ' ' NE2' ' B' ' 119' ' ' HIS . 17.2 t0 -128.76 10.61 6.05 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 112.685 -2.052 . . . . 48.82 106.998 -179.621 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' CYS . . . . . 0.501 ' O ' ' SG ' ' B' ' 122' ' ' CYS . 21.2 p -61.06 147.4 43.89 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 113.119 -1.855 . . . . 30.51 107.456 -179.546 55.321 82.539 88.274 104.407 2.035 105.206 -63.218 -51.065 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.54 -25.4 23.12 Favored Glycine 0 N--CA 1.481 1.7 0 CA-C-O 116.654 -2.192 . . . . 26.54 110.526 177.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.5 mt -101.26 107.91 19.42 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-N 121.162 2.481 . . . . 24.01 108.471 -178.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ARG . . . . . 0.542 ' NH2' ' OE1' ' A' ' 8' ' ' GLU . 46.4 mtm180 -81.72 134.23 50.9 Favored Pre-proline 0 N--CA 1.477 0.894 0 CA-C-O 117.405 -1.283 . . . . 29.59 109.258 -175.125 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -49.43 -52.69 8.32 Favored 'Trans proline' 0 N--CA 1.451 -1.02 0 CA-C-O 114.144 -2.523 . . . . 22.98 110.869 177.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.3 2.25 25.4 Favored 'General case' 0 C--O 1.256 1.431 0 N-CA-C 118.172 2.656 . . . . 19.59 118.172 -175.427 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -131.88 -92.75 0.39 Allowed 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 120.775 1.625 . . . . 22.7 114.449 -177.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . 0.542 ' OE1' ' NH2' ' A' ' 4' ' ' ARG . 26.9 mp0 -52.43 -28.6 20.64 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.872 -1.143 . . . . 28.13 111.969 -179.236 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . 0.575 ' CD ' ' O ' ' A' ' 515' ' ' HOH . 0.2 OUTLIER -75.64 -33.43 60.47 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 118.518 0.599 . . . . 30.02 110.063 -176.317 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LYS . . . . . 0.745 ' CG ' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -110.43 29.8 7.36 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 118.528 -1.269 . . . . 27.16 107.932 -177.907 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.1 m 32.57 56.79 0.4 Allowed 'General case' 0 C--O 1.254 1.29 0 N-CA-C 118.399 2.741 . . . . 31.64 118.399 179.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . 0.745 ' CD1' ' CG ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -131.59 157.38 43.79 Favored 'General case' 0 C--O 1.268 2.046 1 C-N-CA 133.27 4.628 . . . . 27.4 106.259 175.943 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -126.92 168.18 14.85 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 114.264 1.209 . . . . 35.25 114.264 -176.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASP . . . . . 0.414 ' OD1' ' NH1' ' A' ' 4' ' ' ARG 0.278 1.1 p30 -89.32 -176.43 5.08 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 115.954 -2.298 . . . . 26.38 108.414 -175.221 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 14' A LYS . . . . . 0.573 ' C ' ' CG2' ' A' ' 14' B THR . 0.3 OUTLIER -67.24 -14.61 63.08 Favored 'General case' 0 C--O 1.259 1.573 0 O-C-N 126.157 2.161 . . . . 33.97 114.069 -174.594 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 14' B THR . . . . . 0.573 ' CG2' ' C ' ' A' ' 14' A LYS . 4.3 p -152.14 25.11 0.63 Allowed 'General case' 0 CA--C 1.495 -1.173 0 O-C-N 128.225 3.453 . . . . 24.4 116.884 -174.412 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' C GLU . . . . . . . . . . . . . 8.1 pt-20 -70.43 -30.51 67.38 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 117.538 -1.665 . . . . 25.02 108.347 179.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' D ARG . . . . . 0.828 ' CD ' ' O ' ' A' ' 475' ' ' HOH . 0.9 OUTLIER -59.91 -32.16 70.5 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 124.694 1.246 . . . . 50.0 112.212 -176.737 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 14' E GLU . . . . . . . . . . . . . 12.8 tt0 -60.54 -34.27 73.89 Favored 'General case' 0 C--O 1.251 1.141 0 O-C-N 125.557 1.786 . . . . 29.73 108.763 177.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' F LEU . . . . . . . . . . . . . 1.8 mp -65.55 -58.55 5.52 Favored 'General case' 0 C--O 1.247 0.929 0 O-C-N 120.257 -1.527 . . . . 29.22 108.772 176.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' G LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.59 -51.8 19.89 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 114.305 -1.316 . . . . 31.71 107.782 -179.66 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' H GLU . . . . . . . . . . . . . 57.0 mt-10 -62.1 -31.34 71.78 Favored 'General case' 0 C--O 1.266 1.939 0 C-N-CA 119.314 -0.954 . . . . 40.11 111.621 177.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' I SER . . . . . 0.514 ' OG ' ' N ' ' B' ' 135' ' ' LYS . 0.0 OUTLIER -64.96 -29.88 70.84 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 117.829 -1.549 . . . . 32.51 107.554 178.334 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 14' J TYR . . . . . 0.603 ' O ' ' CD1' ' A' ' 14' K ILE . 0.1 OUTLIER -91.58 1.92 56.81 Favored 'General case' 0 C--O 1.264 1.839 0 CA-C-O 114.499 -2.667 . . . . 36.84 111.683 179.795 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 14' K ILE . . . . . 0.603 ' CD1' ' O ' ' A' ' 14' J TYR . 0.1 OUTLIER . . . . . 0 C--O 1.201 -1.484 1 CA-C-O 139.077 9.036 . . . . 30.87 115.364 -178.847 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 2.2 mm . . . . . 0 CA--C 1.518 -0.263 0 CA-C-O 119.41 -0.329 . . . . 24.78 110.579 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 98.8 t -114.34 126.95 71.98 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 C-N-CA 127.592 2.357 . . . . 28.33 108.454 179.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 70.57 25.6 4.17 Favored 'General case' 0 C--O 1.251 1.14 0 N-CA-C 114.808 1.41 . . . . 44.66 114.808 177.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.86 -161.82 16.48 Favored Glycine 0 N--CA 1.501 2.977 0 CA-C-O 114.334 -3.481 . . . . 32.79 107.501 179.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 89.0 p -143.25 174.25 10.88 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 114.587 -2.625 . . . . 40.25 108.948 179.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -59.89 130.39 46.54 Favored 'General case' 0 C--N 1.317 -0.827 1 O-C-N 129.66 4.35 . . . . 29.32 110.358 -178.141 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.48 178.29 0.58 Allowed 'General case' 0 N--CA 1.477 0.921 0 O-C-N 126.861 2.601 . . . . 27.93 104.667 177.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -119.24 136.8 54.04 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 128.735 3.772 . . . . 35.72 106.905 178.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 32.8 mm -49.61 137.02 6.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 120.19 1.359 . . . . 25.49 110.978 -176.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.64 14.28 54.27 Favored Glycine 0 C--O 1.238 0.402 0 N-CA-C 116.952 1.541 . . . . 24.4 116.952 178.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' MET . . . . . . . . . . . . . 4.7 ttm -81.44 -26.1 35.6 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 113.165 -3.303 . . . . 25.4 107.68 -179.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.36 61.89 34.51 Favored Pre-proline 0 N--CA 1.495 1.794 0 O-C-N 127.724 3.14 . . . . 22.82 111.402 -179.505 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -56.72 -11.0 6.09 Favored 'Trans proline' 0 N--CA 1.438 -1.751 0 CA-C-O 113.117 -2.951 . . . . 21.97 117.493 -175.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' TRP . . . . . . . . . . . . . 2.1 p90 -104.51 -0.75 27.49 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 125.601 1.813 . . . . 19.92 108.063 -178.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -63.89 110.67 2.18 Favored 'General case' 0 C--O 1.27 2.149 0 CA-C-O 116.424 -1.75 . . . . 17.28 108.561 179.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 2.6 t -113.46 144.86 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 CA-C-O 111.763 -3.97 . . . . 18.03 107.638 -179.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 7.3 ttm -105.94 123.5 48.08 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 128.993 2.917 . . . . 18.16 111.527 -178.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.67 113.18 24.62 Favored 'General case' 0 N--CA 1.517 2.922 0 N-CA-C 106.109 -1.811 . . . . 25.54 106.109 -177.422 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -110.41 142.63 41.85 Favored 'General case' 0 C--N 1.313 -1.017 0 O-C-N 125.651 1.844 . . . . 27.18 115.423 -173.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ARG . . . . . 0.686 ' NH1' ' OE1' ' B' ' 39' ' ' GLU . 44.4 ttt180 -89.99 126.78 35.87 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 112.025 -2.352 . . . . 46.27 111.151 179.492 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -63.45 -48.71 76.6 Favored 'General case' 0 C--O 1.269 2.112 0 CA-C-N 110.587 -3.006 . . . . 33.84 115.036 -178.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' A SER . . . . . . . . . . . . . 3.4 t -171.85 116.67 0.42 Allowed Pre-proline 0 C--N 1.302 -1.48 0 N-CA-C 103.944 -2.613 . . . . 40.91 103.944 179.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -64.12 127.35 6.2 Favored 'Cis proline' 0 C--O 1.258 1.48 0 O-C-N 123.817 1.43 . . . . 39.42 109.302 1.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -57.21 99.03 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 115.246 -2.311 . . . . 44.07 106.297 177.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' GLU . . . . . 0.686 ' OE1' ' NH1' ' B' ' 35' ' ' ARG . 2.5 pt-20 -140.39 157.14 45.99 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 126.721 2.513 . . . . 39.0 109.278 -179.869 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' LEU . . . . . 0.905 ' CD2' ' O ' ' B' ' 637' ' ' HOH . 0.1 OUTLIER -89.64 134.61 34.06 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-O 113.128 -3.32 . . . . 31.16 102.226 177.566 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' LEU . . . . . 0.912 ' CD1' ' O ' ' B' ' 436' ' ' HOH 0.439 1.0 OUTLIER -117.71 -22.53 7.98 Favored 'General case' 0 N--CA 1.508 2.438 2 O-C-N 129.416 4.198 . . . . 28.55 111.89 -176.965 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 59.8 m -169.28 -163.34 0.4 Allowed 'General case' 0 CA--C 1.55 0.961 0 O-C-N 125.607 1.817 . . . . 25.92 107.65 178.896 -74.152 -168.534 -100.3 102.067 2.057 104.745 -78.848 -79.207 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.6 170.5 22.35 Favored Glycine 0 C--O 1.246 0.855 0 CA-C-O 115.091 -3.061 . . . . 23.13 106.984 -179.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -167.07 -176.19 3.27 Favored 'General case' 0 N--CA 1.493 1.684 1 CA-C-O 111.378 -4.153 . . . . 21.74 104.337 -176.428 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 30.6 p -135.95 160.65 37.94 Favored 'General case' 0 C--O 1.274 2.391 0 O-C-N 127.415 2.947 . . . . 26.56 108.712 176.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' LEU . . . . . 0.76 ' CD2' ' O ' ' B' ' 48' ' ' SER . 0.0 OUTLIER -97.43 124.8 41.74 Favored 'General case' 0 C--O 1.264 1.857 0 C-N-CA 125.78 1.632 . . . . 20.6 108.782 177.663 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . 0.262 14.7 pt -112.51 -13.63 11.23 Favored 'Isoleucine or valine' 0 C--O 1.247 0.968 0 O-C-N 121.193 -0.942 . . . . 18.64 112.294 -179.843 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' SER . . . . . 0.76 ' O ' ' CD2' ' B' ' 46' ' ' LEU . 0.1 OUTLIER -148.99 -159.95 1.11 Allowed 'General case' 0 C--O 1.265 1.886 0 C-N-CA 126.134 1.774 . . . . 24.04 106.291 175.404 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' B' ' 112' ' ' VAL . 27.1 p-10 -93.82 -9.09 38.59 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 116.712 -1.995 . . . . 36.2 110.337 176.997 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ARG . . . . . 0.799 ' CD ' ' O ' ' B' ' 607' ' ' HOH . 7.1 mtp180 -131.77 12.78 4.86 Favored 'General case' 0 C--O 1.264 1.845 0 C-N-CA 127.852 2.461 . . . . 43.58 116.249 178.362 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' TRP . . . . . 0.55 ' CH2' ' CE1' ' B' ' 89' ' ' TYR . 71.2 m95 -129.58 133.86 47.42 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 123.971 3.078 . . . . 28.54 106.329 -179.084 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . 0.329 4.7 t -127.82 137.6 57.14 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.728 0 O-C-N 127.378 2.924 . . . . 23.27 106.544 178.529 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 21.7 tp -102.05 140.11 36.77 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 128.201 2.6 . . . . 20.2 108.839 179.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 6.9 t -157.68 -179.01 7.75 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 114.947 -1.024 . . . . 22.28 108.961 179.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.55 137.79 32.0 Favored 'General case' 0 C--O 1.272 2.247 0 CA-C-O 124.841 2.258 . . . . 23.59 111.026 176.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.36 -38.33 74.02 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 118.765 -2.46 . . . . 24.22 110.001 -177.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' HIS . . . . . 0.972 ' NE2' ' OXT' ' C' ' 318' ' ' ARG . 0.2 OUTLIER -67.54 -4.98 13.18 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 112.269 -2.241 . . . . 22.84 111.056 -177.28 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 26.4 m -80.03 -36.32 35.95 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 122.895 1.331 . . . . 21.23 107.437 178.804 -79.207 -78.848 -100.3 104.745 2.057 102.067 -168.534 -74.152 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 1.8 mt -96.13 -48.44 5.66 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 115.212 -2.328 . . . . 21.22 108.924 -178.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.83 113.12 13.68 Favored 'General case' 0 C--O 1.254 1.325 0 CA-C-N 121.791 2.087 . . . . 24.44 114.333 178.544 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 60' A TYR . . . . . . . . . . . . . 44.6 t80 -143.5 92.42 6.59 Favored Pre-proline 0 C--O 1.256 1.421 0 O-C-N 126.197 2.186 . . . . 29.38 108.589 178.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' B PRO . . . . . 0.683 ' O ' ' N ' ' B' ' 60' E ASP 0.273 5.7 Cg_exo -46.54 -59.34 1.26 Allowed 'Trans proline' 0 C--O 1.278 2.516 0 N-CA-C 119.035 2.667 . . . . 27.21 119.035 -177.209 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 60' C PRO . . . . . . . . . . . . . 6.3 Cg_exo -43.69 -4.36 0.02 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.264 1.976 . . . . 30.29 113.423 -177.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' D TRP . . . . . 0.625 ' N ' ' O ' ' B' ' 60' B PRO . 29.5 m0 -122.87 1.89 9.36 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 124.911 1.382 . . . . 31.97 107.819 -177.88 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 60' E ASP . . . . . 0.683 ' N ' ' O ' ' B' ' 60' B PRO . 13.0 m-20 60.75 33.4 20.15 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 127.809 3.193 . . . . 47.27 108.46 -175.983 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 60' F LYS . . . . . 0.433 ' NZ ' ' O ' ' B' ' 436' ' ' HOH . 5.3 mtmt -88.52 139.27 30.65 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 127.26 2.85 . . . . 35.84 106.072 179.639 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 60' G ASN . . . . . 0.554 ' ND2' ' O ' ' B' ' 471' ' ' HOH . 34.5 t-20 -178.31 71.7 0.02 OUTLIER 'General case' 0 C--N 1.308 -1.231 0 O-C-N 126.426 2.329 . . . . 43.71 107.463 177.539 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 60' H PHE . . . . . . . . . . . . . 4.6 m-85 -90.78 159.39 16.33 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 122.608 1.194 . . . . 36.33 109.103 -177.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' I THR . . . . . 0.619 ' O ' ' N ' ' B' ' 62' ' ' ASN . 1.3 m -109.33 154.0 23.12 Favored 'General case' 0 C--N 1.289 -2.024 0 C-N-CA 130.768 3.627 . . . . 40.25 109.347 179.272 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' GLU . . . . . 0.552 ' OE1' ' N ' ' B' ' 88' ' ' ILE . 1.6 pm0 -52.76 4.21 0.01 OUTLIER 'General case' 0 C--O 1.253 1.287 0 CA-C-N 113.912 -1.495 . . . . 39.45 111.004 179.182 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ASN . . . . . 0.619 ' N ' ' O ' ' B' ' 60' I THR . 1.7 m-80 -103.01 -37.42 7.78 Favored 'General case' 0 C--O 1.256 1.407 0 N-CA-C 120.053 3.353 . . . . 45.5 120.053 -175.5 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.35 -7.0 49.75 Favored 'General case' 0 C--N 1.313 -1.001 0 O-C-N 126.02 2.075 . . . . 40.27 108.083 -177.655 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 10.4 mp -122.72 163.82 19.43 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 120.238 3.421 . . . . 33.23 120.238 -169.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . 0.336 1.3 tp -144.59 144.46 31.3 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 128.022 3.326 . . . . 30.35 111.012 178.999 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -108.02 137.94 36.99 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.227 0 CA-C-O 113.446 -3.169 . . . . 24.68 103.372 174.843 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ARG . . . . . 0.61 ' NE ' ' OE2' ' B' ' 80' ' ' GLU . 29.7 mtp180 -108.06 123.92 49.42 Favored 'General case' 0 C--O 1.27 2.157 0 N-CA-C 104.859 -2.274 . . . . 23.07 104.859 177.953 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 1.9 mt -118.84 143.61 29.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 CA-C-N 121.374 1.897 . . . . 21.77 113.609 -177.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.19 21.82 40.31 Favored Glycine 0 CA--C 1.484 -1.882 0 C-N-CA 128.865 3.126 . . . . 20.62 116.03 177.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -87.68 161.44 17.65 Favored 'General case' 0 C--N 1.286 -2.176 1 CA-C-N 124.801 4.3 . . . . 20.09 121.101 -175.885 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -127.6 -54.05 1.34 Allowed 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 129.154 2.982 . . . . 24.24 107.906 177.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 1.9 t -75.77 148.32 38.57 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 118.103 -1.439 . . . . 25.74 107.756 -177.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' ARG . . . . . 0.566 ' NH1' ' O ' ' B' ' 152' ' ' PRO 0.276 14.0 ttp-105 -82.37 -19.24 39.6 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 105.591 -2.003 . . . . 24.65 105.591 -178.626 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' THR . . . . . 0.476 ' CG2' ' N ' ' B' ' 75' ' ' ARG 0.251 0.8 OUTLIER -126.85 -56.15 1.37 Allowed 'General case' 0 CA--C 1.478 -1.82 3 N-CA-C 123.99 4.811 . . . . 28.35 123.99 -171.044 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ARG . . . . . 0.476 ' N ' ' CG2' ' B' ' 74' ' ' THR . 0.0 OUTLIER -51.29 149.98 3.69 Favored 'General case' 0 C--O 1.255 1.384 0 CA-C-N 120.233 1.379 . . . . 45.78 112.865 -179.286 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -88.98 109.49 20.31 Favored 'General case' 0 CA--C 1.564 1.518 0 N-CA-C 100.47 -3.9 . . . . 27.29 100.47 172.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' B' ' 80' ' ' GLU . 49.0 mt-10 -85.72 84.95 7.44 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 127.732 3.145 . . . . 32.45 111.528 -178.088 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 77' A ARG . . . . . . . . . . . . 0.373 2.4 mtp180 -29.14 -81.07 0.01 OUTLIER 'General case' 0 C--O 1.305 3.988 1 C-N-CA 131.719 4.008 . . . . 26.47 118.576 -176.276 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' ASN . . . . . 0.797 ' O ' ' O ' ' B' ' 603' ' ' HOH 0.311 20.9 m120 -88.59 -4.41 58.59 Favored 'General case' 0 N--CA 1.512 2.64 1 CA-C-N 126.557 4.253 . . . . 25.56 107.95 -178.746 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' ILE . . . . . 0.451 ' CD1' ' CB ' ' B' ' 117' ' ' TYR 0.52 0.1 OUTLIER -83.77 -44.13 18.16 Favored 'Isoleucine or valine' 0 C--O 1.284 2.883 0 CA-C-O 113.211 -3.28 . . . . 24.06 117.839 -174.957 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' GLU . . . . . 0.61 ' OE2' ' NE ' ' B' ' 67' ' ' ARG . 2.4 pt-20 -85.31 167.58 15.47 Favored 'General case' 0 N--CA 1.509 2.523 0 CA-C-N 124.686 3.403 . . . . 24.56 114.079 179.847 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' LYS . . . . . 0.454 ' CD ' ' CD1' ' B' ' 118' ' ' ILE . 2.9 mttt -136.16 119.17 16.41 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 116.984 -1.484 . . . . 37.79 107.293 176.316 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 5.0 mm -86.46 130.73 36.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 CA-C-N 120.9 1.682 . . . . 29.7 108.899 178.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.59 150.92 49.5 Favored 'General case' 0 C--O 1.25 1.1 0 N-CA-C 114.178 1.177 . . . . 27.76 114.178 -178.258 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 15.7 mmt -105.94 155.38 19.42 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 114.532 -2.651 . . . . 38.32 108.812 -177.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' LEU . . . . . 0.41 ' CD1' ' CE ' ' B' ' 106' ' ' MET . 7.9 mt -93.9 132.59 38.18 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 126.947 2.654 . . . . 29.85 116.306 179.29 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' B' ' 107' ' ' LYS . 0.9 OUTLIER -89.43 -58.84 2.39 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 120.558 -1.339 . . . . 49.66 108.955 178.615 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' LYS . . . . . 0.697 ' CD ' ' CE2' ' B' ' 89' ' ' TYR . 9.3 tmtt? -140.07 156.72 46.46 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 105.164 -2.161 . . . . 37.63 105.164 177.114 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' ILE . . . . . 0.552 ' N ' ' OE1' ' B' ' 61' ' ' GLU 0.256 0.9 OUTLIER -120.8 136.53 57.48 Favored 'Isoleucine or valine' 0 C--O 1.275 2.413 0 O-C-N 127.677 3.111 . . . . 29.95 103.099 178.751 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' TYR . . . . . 0.96 ' CE2' ' O ' ' B' ' 433' ' ' HOH . 39.4 m-85 -129.56 111.34 12.63 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 123.515 2.87 . . . . 34.32 110.197 -179.895 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 1.4 mm -93.4 145.01 8.31 Favored 'Isoleucine or valine' 0 C--O 1.251 1.15 0 O-C-N 124.727 1.267 . . . . 32.58 109.4 179.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' HIS . . . . . 0.618 ' ND1' ' N ' ' B' ' 93' ' ' ARG . 22.3 t-80 -63.03 125.28 86.46 Favored Pre-proline 0 C--O 1.257 1.454 0 CA-C-O 122.8 1.286 . . . . 33.2 110.919 -177.87 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -52.14 -25.59 23.54 Favored 'Trans proline' 0 C--O 1.256 1.398 0 CA-C-O 116.942 -1.358 . . . . 34.57 110.899 179.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' ARG . . . . . 0.618 ' N ' ' ND1' ' B' ' 91' ' ' HIS . 11.2 mtp180 -126.13 52.38 1.7 Allowed 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 117.422 -1.711 . . . . 50.0 115.225 -179.785 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -94.08 119.96 33.66 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 128.908 2.883 . . . . 31.85 104.278 178.738 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' ASN . . . . . 0.501 ' C ' ' OD1' ' B' ' 95' ' ' ASN . 29.1 t-20 -106.24 106.17 16.55 Favored 'General case' 0 C--O 1.268 2.034 0 CA-C-O 112.039 -3.838 . . . . 34.87 113.365 -175.501 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' TRP . . . . . 0.429 ' CE2' ' CG ' ' B' ' 60' B PRO . 59.0 p-90 -91.54 -26.05 18.95 Favored 'General case' 0 C--O 1.272 2.287 0 O-C-N 127.713 3.133 . . . . 32.26 116.525 179.442 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 4.8 mtm-85 -66.88 -37.47 84.47 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 120.477 1.489 . . . . 50.0 113.87 -179.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' A GLU . . . . . 0.823 ' OE2' ' NH1' ' B' ' 175' ' ' ARG . 63.4 tt0 -107.55 -55.69 2.32 Favored 'General case' 0 C--O 1.272 2.275 1 N-CA-C 126.3 5.666 . . . . 46.31 126.3 -173.91 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' ASN . . . . . 0.531 ' N ' ' OD1' ' B' ' 98' ' ' ASN . 35.3 p-10 -140.31 -5.85 1.23 Allowed 'General case' 0 N--CA 1.516 2.846 0 C-N-CA 115.839 -2.345 . . . . 32.58 111.915 -177.908 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' LEU . . . . . 0.446 ' CD1' ' CD2' ' C' ' 310' ' ' PHE . 1.3 mp 72.46 31.85 1.7 Allowed 'General case' 0 C--O 1.258 1.518 0 CA-C-O 124.551 2.12 . . . . 30.77 112.238 178.916 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' ASP . . . . . . . . . . . . 0.306 0.0 OUTLIER -74.8 134.91 41.7 Favored 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 127.535 3.54 . . . . 39.77 108.611 177.671 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 75.5 mtt85 69.0 51.02 0.56 Allowed 'General case' 0 C--O 1.22 -0.474 0 O-C-N 118.491 -2.63 . . . . 37.24 108.422 178.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -86.09 89.73 7.91 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 100.736 -3.802 . . . . 23.41 100.736 176.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 14.2 tt -159.83 145.88 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 1 O-C-N 130.217 4.698 . . . . 21.0 111.79 -177.998 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -157.74 146.37 19.3 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 124.445 1.098 . . . . 19.41 108.614 179.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 44.7 mt -110.47 154.23 23.94 Favored 'General case' 0 C--O 1.251 1.173 0 N-CA-C 106.237 -1.764 . . . . 23.13 106.237 176.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' MET . . . . . 0.41 ' CE ' ' CD1' ' B' ' 85' ' ' LEU . 22.1 mtp -136.54 134.97 38.07 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 103.086 -2.931 . . . . 22.69 103.086 178.212 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' LYS . . . . . 0.479 ' NZ ' ' CA ' ' B' ' 246' ' ' GLY . 0.7 OUTLIER -104.2 128.55 51.92 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 105.903 -1.888 . . . . 39.29 105.903 178.308 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 6.0 mt -73.35 137.65 44.88 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 110.24 -3.164 . . . . 23.87 104.075 -177.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.48 -31.61 66.15 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 103.977 -2.601 . . . . 33.0 103.977 176.473 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' LYS . . . . . 0.72 ' O ' ' O ' ' B' ' 440' ' ' HOH . 2.4 mttm -138.86 147.09 52.82 Favored Pre-proline 0 N--CA 1.495 1.804 0 O-C-N 124.949 1.405 . . . . 42.44 111.137 -177.869 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -69.88 143.52 50.54 Favored 'Trans proline' 0 C--O 1.247 0.93 0 C-N-CA 122.895 2.396 . . . . 29.89 106.428 -179.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' B' ' 49' ' ' ASP . 2.7 p -88.67 156.18 3.12 Favored 'Isoleucine or valine' 0 C--O 1.254 1.291 1 O-C-N 130.978 5.174 . . . . 31.21 107.725 -179.331 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -101.74 116.18 32.17 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 106.12 -1.807 . . . . 27.75 106.12 -178.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' B' ' 114' ' ' PHE . 11.8 m-30 -54.1 159.22 1.9 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 127.935 3.272 . . . . 24.28 109.622 -179.509 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' SER . . . . . 0.681 ' O ' ' O ' ' B' ' 409' ' ' HOH . 93.5 p -161.69 -163.28 0.95 Allowed 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.216 -1.031 . . . . 23.78 108.216 179.909 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -77.92 -9.31 59.02 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-O 114.576 -2.63 . . . . 25.86 107.83 177.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' TYR . . . . . 0.705 ' OH ' ' O ' ' B' ' 620' ' ' HOH . 6.9 m-85 -120.22 -9.81 9.48 Favored 'General case' 0 C--N 1.291 -1.938 0 O-C-N 125.072 1.483 . . . . 23.66 112.82 -175.017 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' ILE . . . . . 0.532 ' CD1' ' O ' ' B' ' 437' ' ' HOH . 65.2 mt -127.08 111.35 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 C-N-CA 128.524 2.73 . . . . 26.91 115.217 179.748 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' HIS . . . . . 0.471 ' NE2' ' O ' ' A' ' 1' A ASP . 8.1 t60 -166.23 158.47 12.07 Favored Pre-proline 0 N--CA 1.498 1.952 0 CA-C-O 111.923 -3.894 . . . . 28.78 103.652 178.825 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -94.07 147.94 2.03 Favored 'Trans proline' 0 N--CA 1.449 -1.123 1 O-C-N 131.131 5.28 . . . . 24.86 119.827 -171.913 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 14.3 p -84.84 163.41 2.76 Favored 'Isoleucine or valine' 0 C--O 1.256 1.4 0 CA-C-O 115.121 -2.371 . . . . 23.34 110.763 178.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' A' ' 1' ' ' CYS . 34.5 m -104.4 151.02 24.0 Favored 'General case' 0 C--O 1.275 2.429 0 CA-C-N 123.874 3.034 . . . . 25.58 108.929 -177.042 -51.065 -63.218 88.274 105.206 2.035 104.407 82.539 55.321 2 2 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' LEU . . . . . 0.732 ' O ' ' CA ' ' A' ' 1' E SER . 7.1 mt -100.52 140.55 21.5 Favored Pre-proline 0 N--CA 1.507 2.42 0 N-CA-C 101.134 -3.654 . . . . 26.58 101.134 178.337 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' PRO . . . . . 0.471 ' O ' ' NZ ' ' B' ' 235' ' ' LYS . 1.4 Cg_endo -69.35 155.45 67.27 Favored 'Trans proline' 0 N--CA 1.446 -1.316 1 O-C-N 128.842 4.075 . . . . 29.28 114.548 -174.388 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' ASP . . . . . 0.645 ' CG ' ' OE2' ' B' ' 127' ' ' GLU . 9.7 p30 -104.56 157.01 17.46 Favored 'General case' 0 C--O 1.265 1.918 0 O-C-N 125.789 1.93 . . . . 34.82 106.427 174.395 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' ARG . . . . . 0.561 ' CB ' ' OE1' ' B' ' 127' ' ' GLU . 28.9 ttt180 -25.74 -62.02 0.07 Allowed 'General case' 0 C--N 1.304 -1.374 0 CA-C-O 127.526 3.536 . . . . 50.0 115.62 -176.473 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' GLU . . . . . 0.645 ' OE2' ' CG ' ' B' ' 125' ' ' ASP . 0.0 OUTLIER -56.79 -42.14 78.93 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 109.699 -3.41 . . . . 47.32 115.614 -179.098 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 1.3 m -71.32 -29.79 65.44 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.796 1.635 . . . . 38.58 109.315 -177.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -59.32 -52.22 66.58 Favored 'General case' 0 C--O 1.247 0.962 0 CA-C-N 110.983 -2.826 . . . . 32.85 107.379 -179.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' A ALA . . . . . . . . . . . . . . . -63.21 -46.22 88.01 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-O 123.962 1.839 . . . . 29.16 111.021 -178.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' B SER . . . . . 0.772 ' O ' ' NE2' ' B' ' 131' ' ' GLN . 7.2 m -46.15 -66.88 0.34 Allowed 'General case' 0 C--N 1.305 -1.36 0 O-C-N 119.754 -1.841 . . . . 30.21 111.97 -179.782 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 129' C LEU . . . . . . . . . . . . . 48.5 mt -83.92 -38.65 20.8 Favored 'General case' 0 C--O 1.248 1.015 1 O-C-N 130.2 4.687 . . . . 22.82 117.008 -172.331 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' LEU . . . . . 0.455 ' CD2' ' CD1' ' B' ' 162' ' ' ILE . 17.8 mt -72.97 85.31 1.27 Allowed 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 122.896 2.589 . . . . 21.75 110.129 179.41 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' GLN . . . . . 0.772 ' NE2' ' O ' ' B' ' 129' B SER . 65.6 mt-30 -141.83 134.48 28.42 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 114.526 -1.215 . . . . 31.52 110.815 -178.555 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' ALA . . . . . 0.589 ' N ' ' O ' ' B' ' 468' ' ' HOH . . . -46.76 136.3 8.14 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 114.443 -2.903 . . . . 23.7 105.902 179.94 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' GLY . . . . . . . . . . . . . . . 100.79 -32.72 7.09 Favored Glycine 0 C--O 1.259 1.691 0 O-C-N 127.43 2.956 . . . . 24.38 115.809 174.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' TYR . . . . . 0.576 ' CD1' ' N ' ' B' ' 134' ' ' TYR . 1.4 m-30 -67.5 142.97 56.41 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 126.212 1.772 . . . . 24.52 108.518 179.187 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 135' ' ' LYS . . . . . 0.514 ' N ' ' OG ' ' A' ' 14' I SER . 67.9 mttt -90.74 156.11 18.31 Favored 'General case' 0 CA--C 1.494 -1.209 0 O-C-N 125.198 1.561 . . . . 27.82 114.033 -177.219 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -129.32 167.1 21.41 Favored Glycine 0 C--O 1.255 1.418 0 CA-C-N 113.565 -1.652 . . . . 23.45 111.08 179.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 137' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' B' ' 200' ' ' VAL . 0.0 OUTLIER -120.17 124.7 46.38 Favored 'General case' 0 C--O 1.26 1.645 0 N-CA-C 106.282 -1.747 . . . . 21.82 106.282 178.277 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 138' ' ' VAL . . . . . 0.484 ' CG2' ' CD1' ' B' ' 199' ' ' PHE . 4.2 t -124.8 121.93 62.36 Favored 'Isoleucine or valine' 0 C--O 1.261 1.682 0 N-CA-C 103.261 -2.866 . . . . 21.75 103.261 178.633 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 139' ' ' THR . . . . . . . . . . . . . 2.6 p -121.64 145.27 48.17 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 126.134 2.146 . . . . 20.48 106.312 179.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -167.65 164.41 37.91 Favored Glycine 0 C--O 1.257 1.59 0 CA-C-O 123.7 1.722 . . . . 19.9 112.125 179.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 141' ' ' TRP . . . . . . . . . . . . . 6.2 m-90 -111.39 17.16 20.4 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 113.207 -1.496 . . . . 23.02 106.969 177.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -69.68 -177.28 18.05 Favored Glycine 0 C--N 1.302 -1.324 0 C-N-CA 127.869 2.652 . . . . 28.2 114.57 -177.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 143' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' B' ' 192' ' ' GLU 0.25 35.8 m-20 -59.22 151.79 22.2 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 123.265 1.507 . . . . 35.55 110.922 -177.745 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 144' ' ' LEU . . . . . . . . . . . . . 28.2 mt -90.15 -12.91 36.85 Favored 'General case' 0 C--N 1.308 -1.2 0 C-N-CA 127.393 2.277 . . . . 34.93 108.788 179.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 145' ' ' LYS . . . . . 0.49 ' CE ' ' O ' ' B' ' 429' ' ' HOH . 0.0 OUTLIER -160.85 147.34 15.06 Favored 'General case' 0 C--O 1.257 1.459 0 O-C-N 125.843 1.964 . . . . 38.75 111.02 175.88 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 146' ' ' GLU . . . . . 0.539 ' OE2' ' CA ' ' B' ' 219' ' ' GLY . 31.8 tt0 -39.49 -47.77 1.91 Allowed 'General case' 0 C--O 1.249 1.048 0 O-C-N 125.052 1.47 . . . . 40.93 110.104 -178.314 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 147' ' ' THR . . . . . 0.577 ' CB ' ' O ' ' B' ' 454' ' ' HOH . 0.3 OUTLIER . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 112.964 -1.925 . . . . 50.0 110.574 177.567 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 107.666 -2.173 . . . . 36.13 107.666 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 151' ' ' GLN . . . . . . . . . . . . 0.359 0.0 OUTLIER -101.31 150.99 37.64 Favored Pre-proline 0 N--CA 1.495 1.801 0 N-CA-C 101.876 -3.379 . . . . 39.07 101.876 179.936 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 152' ' ' PRO . . . . . 0.566 ' O ' ' NH1' ' B' ' 73' ' ' ARG . 4.3 Cg_endo -82.67 177.03 7.24 Favored 'Trans proline' 0 C--N 1.302 -1.884 1 O-C-N 129.142 4.233 . . . . 28.65 107.753 -176.533 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 4.3 t -94.92 -23.43 17.43 Favored 'General case' 0 C--N 1.315 -0.92 0 O-C-N 125.733 1.896 . . . . 30.06 107.227 178.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 1.8 t -135.05 153.14 33.85 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 CA-C-O 126.438 3.018 . . . . 25.72 113.255 -177.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 11.1 tp -51.62 131.94 30.17 Favored 'General case' 0 C--O 1.262 1.733 0 CA-C-N 111.984 -2.371 . . . . 23.97 108.337 179.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 156' ' ' GLN . . . . . 0.77 ' NE2' ' O ' ' B' ' 455' ' ' HOH . 20.8 mm100 -100.41 154.0 18.88 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 120.148 1.34 . . . . 27.55 113.761 -178.747 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 157' ' ' VAL . . . . . . . . . . . . . 80.3 t -133.2 144.43 36.34 Favored 'Isoleucine or valine' 0 C--O 1.249 1.03 0 CA-C-O 114.354 -2.736 . . . . 21.26 107.308 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 158' ' ' VAL . . . . . . . . . . . . . 3.5 p -150.06 127.79 2.63 Favored 'Isoleucine or valine' 0 C--O 1.256 1.43 0 O-C-N 128.139 3.399 . . . . 19.83 106.608 175.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 159' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -93.8 126.82 39.2 Favored 'General case' 0 C--O 1.253 1.248 0 CA-C-O 115.187 -2.34 . . . . 20.14 107.034 178.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 160' ' ' LEU . . . . . . . . . . . . . 1.1 mt -140.27 155.8 70.14 Favored Pre-proline 0 C--N 1.315 -0.92 0 CA-C-O 114.86 -2.495 . . . . 21.49 108.636 -178.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 161' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -93.32 140.52 1.71 Allowed 'Trans proline' 0 C--O 1.248 0.987 0 C-N-CA 122.463 2.109 . . . . 23.73 115.082 -178.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 162' ' ' ILE . . . . . 0.455 ' CD1' ' CD2' ' B' ' 130' ' ' LEU . 1.9 mt -58.63 148.33 6.48 Favored 'Isoleucine or valine' 0 C--O 1.248 0.987 0 O-C-N 119.78 -1.825 . . . . 28.42 110.205 173.999 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 163' ' ' VAL . . . . . . . . . . . . . 78.5 t -111.85 153.31 13.56 Favored 'Isoleucine or valine' 0 C--O 1.259 1.602 0 CA-C-O 122.708 1.242 . . . . 32.68 110.249 179.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 164' ' ' GLU . . . . . 0.607 ' OE2' ' NZ ' ' B' ' 185' ' ' LYS . 8.9 mp0 -67.92 127.79 34.12 Favored 'General case' 0 C--O 1.258 1.504 0 CA-C-O 115.229 -2.319 . . . . 33.92 113.133 -179.225 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 165' ' ' ARG . . . . . 0.535 ' CB ' ' CD ' ' B' ' 166' ' ' PRO . 0.0 OUTLIER -29.11 -63.28 0.2 Allowed Pre-proline 0 C--O 1.249 1.047 0 C-N-CA 127.513 2.325 . . . . 46.94 116.673 179.103 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 166' ' ' PRO . . . . . 0.535 ' CD ' ' CB ' ' B' ' 165' ' ' ARG . 6.2 Cg_exo -52.34 -48.94 19.22 Favored 'Trans proline' 0 C--O 1.247 0.971 0 CA-C-O 116.916 -1.368 . . . . 35.53 108.882 174.989 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 167' ' ' VAL . . . . . 0.414 ' CG2' ' OE2' ' B' ' 164' ' ' GLU . 0.4 OUTLIER -58.47 -44.16 88.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 C-N-CA 115.302 -2.559 . . . . 35.83 110.25 -178.102 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 168' ' ' CYS . . . . . . . . . . . . . 89.4 m -52.42 -51.52 58.71 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 107.834 -1.173 . . . . 34.7 107.834 -177.979 -68.144 -54.541 -103.874 105.729 2.056 98.719 -77.588 87.459 1 1 . 1 . 001 ecloud orig full ' B' B ' 169' ' ' LYS . . . . . 0.47 ' CE ' ' CG2' ' B' ' 176' ' ' ILE . 17.8 mttp -62.37 -26.54 68.51 Favored 'General case' 0 C--O 1.259 1.59 0 O-C-N 126.626 2.454 . . . . 49.97 115.837 -177.207 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 170' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -84.35 -14.06 50.61 Favored 'General case' 0 C--O 1.255 1.346 0 C-N-CA 126.232 1.813 . . . . 48.26 113.62 -177.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 9.6 p -90.84 -26.74 19.25 Favored 'General case' 0 C--O 1.263 1.781 0 O-C-N 127.09 2.744 . . . . 37.9 110.241 -177.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 172' ' ' THR . . . . . . . . . . . . . 6.2 t -130.52 153.4 48.87 Favored 'General case' 0 CA--C 1.501 -0.929 0 O-C-N 126.641 2.463 . . . . 34.13 116.761 -174.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 173' ' ' ARG . . . . . 0.559 ' CD ' ' OE2' ' C' ' 313' ' ' GLU . 11.6 mtt180 -87.76 -15.39 37.11 Favored 'General case' 0 C--O 1.247 0.926 0 C-N-CA 127.301 2.24 . . . . 50.0 110.854 -178.641 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 174' ' ' ILE . . . . . . . . . . . . . 5.2 mm -66.61 156.16 6.73 Favored 'Isoleucine or valine' 0 C--O 1.26 1.614 0 O-C-N 127.03 2.706 . . . . 32.54 107.646 177.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 175' ' ' ARG . . . . . 0.823 ' NH1' ' OE2' ' B' ' 97' A GLU . 0.0 OUTLIER -85.06 68.77 10.66 Favored 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 126.266 1.826 . . . . 37.59 113.935 178.303 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 176' ' ' ILE . . . . . 0.47 ' CG2' ' CE ' ' B' ' 169' ' ' LYS 0.291 0.3 OUTLIER -39.16 128.34 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.285 2.958 0 CA-C-O 116.284 -1.817 . . . . 32.32 109.788 176.125 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 177' ' ' THR . . . . . 0.4 ' O ' ' NH1' ' B' ' 165' ' ' ARG . 0.1 OUTLIER -113.59 174.33 5.97 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 121.52 1.964 . . . . 32.38 109.34 176.886 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 178' ' ' ASP . . . . . 0.414 ' CB ' ' NH1' ' B' ' 233' ' ' ARG . 7.4 m-20 -60.66 -14.96 23.87 Favored 'General case' 0 C--O 1.253 1.28 0 C-N-CA 129.798 3.239 . . . . 38.53 114.678 178.024 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 179' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -97.39 19.53 13.11 Favored 'General case' 0 C--O 1.254 1.334 0 CA-C-O 112.431 -3.652 . . . . 33.66 114.687 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 180' ' ' MET . . . . . . . . . . . . . 4.8 mtt -142.62 172.51 12.59 Favored 'General case' 0 C--N 1.289 -2.034 0 CA-C-O 115.46 -2.21 . . . . 25.57 105.843 178.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 181' ' ' PHE . . . . . 0.436 ' CE2' ' O ' ' B' ' 210' ' ' MET . 54.0 p90 -154.04 164.77 37.91 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 101.842 -3.392 . . . . 23.89 101.842 179.391 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 182' ' ' CYS . . . . . . . . . . . . 0.28 1.4 p -129.02 149.99 50.61 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 127.423 2.952 . . . . 27.32 109.148 -179.624 87.459 -77.588 -103.874 98.719 2.056 105.729 -54.541 -68.144 2 2 . 1 . 001 ecloud orig full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . -150.53 160.83 43.51 Favored 'General case' 0 C--O 1.256 1.4 0 C-N-CA 117.61 -1.636 . . . . 25.97 108.587 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 184' ' ' GLY . . . . . . . . . . . . . . . 134.05 168.86 11.9 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 129.05 3.214 . . . . 27.78 109.589 -177.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 184' A TYR . . . . . . . . . . . . . 90.9 m-85 -71.97 164.38 26.21 Favored 'General case' 0 C--O 1.261 1.678 0 O-C-N 121.066 -1.255 . . . . 32.6 112.635 -178.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 185' ' ' LYS . . . . . 0.607 ' NZ ' ' OE2' ' B' ' 164' ' ' GLU . 6.3 mttt -93.72 163.4 24.33 Favored Pre-proline 0 C--O 1.253 1.268 0 N-CA-C 104.594 -2.373 . . . . 42.67 104.594 174.84 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 186' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -56.33 -47.08 26.01 Favored 'Trans proline' 0 C--O 1.269 2.026 0 O-C-N 124.939 2.021 . . . . 40.88 111.109 -178.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 186' A ASP . . . . . . . . . . . . . 1.5 p30 -66.83 -8.23 27.29 Favored 'General case' 0 C--O 1.261 1.698 0 N-CA-C 114.112 1.152 . . . . 49.23 114.112 -179.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 186' B GLU . . . . . 0.562 ' OE2' ' N ' ' B' ' 185' ' ' LYS . 5.2 mt-10 -92.9 -6.39 48.75 Favored 'General case' 0 C--O 1.27 2.136 0 N-CA-C 120.302 3.445 . . . . 41.28 120.302 -175.409 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 186' C GLY . . . . . . . . . . . . . . . 36.11 60.05 0.9 Allowed Glycine 0 C--O 1.257 1.553 0 N-CA-C 121.916 3.526 . . . . 38.33 121.916 175.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 186' D LYS . . . . . . . . . . . . . 14.0 mttt -158.1 132.48 8.19 Favored 'General case' 0 C--N 1.309 -1.182 1 C-N-CA 134.308 5.043 . . . . 38.81 102.393 175.196 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 187' ' ' ARG . . . . . 0.797 ' NH1' ' OD2' ' B' ' 221' ' ' ASP . 0.0 OUTLIER -124.96 -170.47 2.17 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 128.42 3.575 . . . . 35.97 113.241 -178.093 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 188' ' ' GLY . . . . . . . . . . . . . . . 130.27 151.13 7.08 Favored Glycine 0 N--CA 1.479 1.549 0 N-CA-C 105.724 -2.95 . . . . 31.31 105.724 179.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -172.36 167.97 5.62 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 114.899 -2.477 . . . . 35.3 104.954 -177.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 190' ' ' ALA . . . . . . . . . . . . . . . -89.83 150.94 22.02 Favored 'General case' 0 C--N 1.289 -2.063 0 N-CA-C 102.146 -3.279 . . . . 30.07 102.146 178.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 191' ' ' CYS . . . . . . . . . . . . . 22.1 t -138.25 -150.41 0.34 Allowed 'General case' 0 N--CA 1.505 2.286 0 C-N-CA 113.719 -3.193 . . . . 32.39 106.856 -178.753 -168.861 64.028 87.967 104.442 2.019 103.394 -169.67 -72.01 1 1 . 1 . 001 ecloud orig full ' B' B ' 192' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' B' ' 143' ' ' ASN . 3.3 tt0 -77.88 146.2 35.78 Favored 'General case' 0 N--CA 1.497 1.889 0 C-N-CA 113.899 -3.12 . . . . 45.47 109.066 -177.672 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 193' ' ' GLY . . . . . . . . . . . . . . . 93.78 5.27 62.99 Favored Glycine 0 N--CA 1.487 2.091 0 O-C-N 127.463 2.977 . . . . 25.44 109.346 -177.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 194' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -101.49 -33.2 10.05 Favored 'General case' 0 C--O 1.282 2.782 0 N-CA-C 117.14 2.274 . . . . 25.06 117.14 -175.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 195' ' ' ALA . . . . . 0.521 ' CA ' ' O ' ' B' ' 213' ' ' VAL . . . -52.71 141.36 21.22 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 124.374 2.035 . . . . 19.45 111.786 -177.719 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 196' ' ' GLY . . . . . . . . . . . . . . . 108.79 -38.64 3.23 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 104.556 -3.418 . . . . 19.08 104.556 178.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 197' ' ' GLY . . . . . . . . . . . . . . . -58.89 160.1 16.07 Favored Glycine 0 C--N 1.308 -0.974 1 O-C-N 130.261 4.153 . . . . 18.8 107.353 -180.0 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 198' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -97.6 152.69 0.93 Allowed 'Trans proline' 0 N--CA 1.437 -1.844 0 O-C-N 127.008 3.11 . . . . 19.59 118.081 -173.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 199' ' ' PHE . . . . . 0.484 ' CD1' ' CG2' ' B' ' 138' ' ' VAL . 52.6 t80 -111.55 105.27 13.79 Favored 'General case' 0 C--O 1.258 1.525 0 N-CA-C 102.73 -3.063 . . . . 17.44 102.73 172.294 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 200' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' B' ' 137' ' ' ARG . 18.7 m -114.7 156.43 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 O-C-N 126.08 2.113 . . . . 17.87 110.12 -176.777 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' MET . . . . . 0.573 ' CE ' ' CG ' ' B' ' 210' ' ' MET . 0.0 OUTLIER -139.48 149.54 44.11 Favored 'General case' 0 C--N 1.301 -1.5 1 O-C-N 130.699 4.999 . . . . 27.87 105.96 176.133 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' LYS . . . . . . . . . . . . . 16.7 tttm -111.78 107.24 16.24 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 127.935 3.272 . . . . 19.13 112.541 -177.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' B' ' 204' A PHE . 10.3 t -59.2 137.52 88.36 Favored Pre-proline 0 N--CA 1.435 -1.217 0 N-CA-C 115.301 1.593 . . . . 20.76 115.301 -179.102 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -84.59 -3.78 9.98 Favored 'Trans proline' 0 C--O 1.246 0.919 0 N-CA-C 105.697 -2.463 . . . . 21.75 105.697 179.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 204' A PHE . . . . . 0.451 ' N ' ' OG ' ' B' ' 203' ' ' SER . 91.7 m-85 -86.53 -39.98 15.7 Favored 'General case' 0 C--O 1.254 1.338 0 O-C-N 117.324 -3.36 . . . . 21.85 114.491 -179.597 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 204' B ASN . . . . . 0.663 ' O ' ' CB ' ' B' ' 205' ' ' ASN . 0.1 OUTLIER -130.04 -6.8 4.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 120.906 1.684 . . . . 20.57 108.922 -175.721 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' ASN . . . . . 0.663 ' CB ' ' O ' ' B' ' 204' B ASN 0.26 2.1 t30 72.18 20.98 4.05 Favored 'General case' 0 N--CA 1.502 2.175 1 C-N-CA 111.355 -4.138 . . . . 24.3 113.201 176.515 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' ARG . . . . . 0.652 ' NH1' ' O ' ' B' ' 412' ' ' HOH . 30.5 mtt180 -98.43 152.65 19.28 Favored 'General case' 0 C--N 1.307 -1.266 0 C-N-CA 126.382 1.873 . . . . 40.13 112.545 178.857 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -93.73 135.14 35.33 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 117.635 -3.166 . . . . 21.44 106.822 177.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' TYR . . . . . 0.566 ' CB ' ' CE ' ' B' ' 210' ' ' MET . 79.4 m-85 -113.56 144.21 43.25 Favored 'General case' 0 C--O 1.248 1.004 0 O-C-N 126.57 2.419 . . . . 29.86 104.966 178.543 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -91.18 102.27 15.0 Favored 'General case' 0 C--O 1.258 1.535 0 O-C-N 128.682 3.739 . . . . 23.86 108.745 177.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' MET . . . . . 0.573 ' CG ' ' CE ' ' B' ' 201' ' ' MET . 17.9 mmt -90.63 -10.69 42.32 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-O 115.518 -2.182 . . . . 26.18 115.919 -175.322 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' GLY . . . . . . . . . . . . . . . -165.19 171.3 40.49 Favored Glycine 0 N--CA 1.478 1.441 0 O-C-N 124.706 1.254 . . . . 21.94 111.77 179.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 24.5 mt -121.53 126.32 74.66 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 120.813 -1.404 . . . . 19.22 109.431 177.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' VAL . . . . . 0.521 ' O ' ' CA ' ' B' ' 195' ' ' ALA . 10.7 t -54.43 110.33 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 CA-C-N 119.726 1.148 . . . . 22.38 110.223 178.509 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 47.9 t -110.07 -72.52 0.72 Allowed 'General case' 0 C--O 1.257 1.462 0 N-CA-C 119.033 2.975 . . . . 21.87 119.033 -175.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' TRP . . . . . 0.403 ' CE3' ' CE2' ' C' ' 310' ' ' PHE . 61.5 p-90 -157.88 -179.2 7.92 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 116.588 -2.045 . . . . 25.44 114.364 -175.83 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' GLY . . . . . . . . . . . . . . . 174.29 175.83 42.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 125.459 1.724 . . . . 27.46 112.734 178.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -104.79 108.19 19.54 Favored 'General case' 0 C--O 1.25 1.099 0 N-CA-C 105.438 -2.06 . . . . 36.45 105.438 176.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' GLY . . . . . 0.539 ' CA ' ' OE2' ' B' ' 146' ' ' GLU . . . 77.55 -151.89 38.57 Favored Glycine 0 N--CA 1.488 2.102 0 C-N-CA 117.953 -2.07 . . . . 32.35 109.989 179.021 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' B' ' 219' ' ' GLY . 68.3 m -161.13 123.97 3.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 118.874 -0.584 . . . . 32.78 110.216 -178.946 -72.01 -169.67 87.967 103.394 2.019 104.442 64.028 -168.861 2 2 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' ASP . . . . . 0.797 ' OD2' ' NH1' ' B' ' 187' ' ' ARG . 26.4 t0 59.04 45.8 14.27 Favored 'General case' 0 C--O 1.258 1.54 0 CA-C-O 116.688 -1.625 . . . . 35.94 109.347 179.226 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 221' A ARG . . . . . . . . . . . . . 20.2 mtt180 -101.45 125.98 48.17 Favored 'General case' 0 C--N 1.312 -1.035 0 O-C-N 128.234 3.459 . . . . 41.58 111.025 179.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 222' ' ' ASP . . . . . 0.514 ' OD2' ' NH2' ' B' ' 187' ' ' ARG . 70.5 m-20 -49.97 137.91 16.23 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 115.505 -2.188 . . . . 37.11 106.16 176.941 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 223' ' ' GLY . . . . . . . . . . . . . . . 75.69 -7.26 27.57 Favored Glycine 0 C--O 1.266 2.101 0 C-N-CA 117.996 -2.05 . . . . 29.91 113.184 179.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 224' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -113.27 152.05 30.32 Favored 'General case' 0 C--O 1.266 1.932 0 N-CA-C 115.897 1.814 . . . . 30.95 115.897 177.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 225' ' ' TYR . . . . . 0.492 ' O ' ' CD1' ' B' ' 227' ' ' PHE . 83.6 m-85 -124.12 131.43 53.54 Favored 'General case' 0 C--O 1.26 1.614 0 N-CA-C 121.397 3.851 . . . . 33.28 121.397 179.243 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 226' ' ' GLY . . . . . . . . . . . . . . . -63.48 136.02 42.09 Favored Glycine 0 N--CA 1.497 2.711 0 N-CA-C 107.387 -2.285 . . . . 28.01 107.387 177.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 227' ' ' PHE . . . . . 0.492 ' CD1' ' O ' ' B' ' 225' ' ' TYR . 33.8 m-85 -105.94 142.45 35.62 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 118.659 1.229 . . . . 24.05 109.539 177.976 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 228' ' ' TYR . . . . . 0.747 ' OH ' ' O ' ' B' ' 622' ' ' HOH . 10.9 m-85 -133.38 147.58 51.8 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 126.78 2.032 . . . . 23.41 112.827 -178.99 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 229' ' ' THR . . . . . . . . . . . . . 93.5 m -76.15 135.44 39.79 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 125.205 1.402 . . . . 23.98 107.44 -179.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 230' ' ' HIS . . . . . 0.62 ' CE1' ' O ' ' B' ' 434' ' ' HOH . 21.6 t-80 -81.77 100.26 9.44 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-O 115.696 -2.097 . . . . 26.42 107.289 -177.283 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 231' ' ' VAL . . . . . . . . . . . . . 1.5 t -63.99 -42.48 95.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 1 O-C-N 131.005 5.191 . . . . 28.52 111.111 -174.258 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 232' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -55.99 -61.66 2.23 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 128.739 3.774 . . . . 31.02 108.965 -177.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 233' ' ' ARG . . . . . 0.414 ' NH1' ' CB ' ' B' ' 178' ' ' ASP . 0.9 OUTLIER -43.26 -44.92 5.6 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 111.07 -2.786 . . . . 44.8 111.232 -179.456 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 234' ' ' LEU . . . . . . . . . . . . . 1.7 mt -94.09 22.29 5.97 Favored 'General case' 0 C--O 1.264 1.84 0 C-N-CA 116.343 -2.143 . . . . 30.39 113.811 -179.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 235' ' ' LYS . . . . . 0.981 ' CE ' ' CA ' ' A' ' 1' F GLY . 78.0 tttt -66.83 -38.81 87.15 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 116.907 2.188 . . . . 31.19 116.907 -179.92 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 236' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -47.55 36.15 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 119.918 -1.739 . . . . 50.0 108.438 178.918 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 237' ' ' TRP . . . . . 0.482 ' O ' ' C ' ' B' ' 238' ' ' ILE . 76.1 t90 -67.5 -53.08 31.75 Favored 'General case' 0 C--O 1.266 1.97 0 O-C-N 124.843 1.339 . . . . 29.75 109.636 178.734 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 238' ' ' ILE . . . . . 0.482 ' C ' ' O ' ' B' ' 237' ' ' TRP . 24.0 mt -45.52 -42.01 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 116.936 -1.905 . . . . 29.08 108.1 -178.941 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 239' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -70.58 -37.77 73.97 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 113.193 -1.821 . . . . 41.34 111.157 -175.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 240' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -60.62 -64.84 0.81 Allowed 'General case' 0 C--O 1.263 1.764 0 CA-C-O 117.021 -1.466 . . . . 41.81 107.635 -178.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -56.25 -34.09 39.01 Favored 'Isoleucine or valine' 0 C--O 1.265 1.911 0 O-C-N 126.947 2.654 . . . . 35.86 114.787 -178.642 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 242' ' ' ILE . . . . . . . . . . . . . 3.5 mt -64.71 -55.16 22.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 119.034 0.833 . . . . 39.9 112.336 -177.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 19.8 p30 -89.24 36.44 0.83 Allowed 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 126.161 2.886 . . . . 45.12 109.129 -177.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 244' ' ' GLN . . . . . 0.437 ' NE2' ' CE1' ' B' ' 245' ' ' PHE . 9.4 tt0 -127.96 -50.22 1.34 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 111.716 -2.493 . . . . 50.0 104.867 -179.838 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 245' ' ' PHE . . . . . 0.437 ' CE1' ' NE2' ' B' ' 244' ' ' GLN . 35.3 m-85 -115.82 9.66 15.13 Favored 'General case' 0 C--O 1.286 3.018 0 O-C-N 127.396 2.935 . . . . 50.0 118.869 -174.361 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 246' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' B' ' 247' ' ' GLU . . . -179.18 -178.45 48.3 Favored Glycine 0 N--CA 1.468 0.774 0 CA-C-O 123.52 1.622 . . . . 50.0 116.388 177.082 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 247' ' ' GLU . . . . . 0.551 ' CB ' ' O ' ' B' ' 246' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--O 1.287 3.057 0 CA-C-O 114.239 -2.791 . . . . 50.0 111.862 177.303 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 308' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.442 . . . . . . . . 35.21 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 309' ' ' ASP . . . . . . . . . . . . 0.284 0.1 OUTLIER 134.98 97.48 0.0 OUTLIER 'General case' 0 N--CA 1.412 -2.335 1 O-C-N 113.143 -5.973 . . . . 33.62 119.98 . . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' C' C ' 310' ' ' PHE . . . . . 0.607 ' O ' ' N ' ' C' ' 315' ' ' GLY . 64.1 t80 -60.38 -57.55 12.3 Favored 'General case' 0 C--O 1.265 1.896 1 CA-C-N 106.52 -4.855 . . . . 35.16 104.611 176.471 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 311' ' ' LEU . . . . . 0.856 ' CD1' ' O ' ' B' ' 628' ' ' HOH . 35.1 mt -51.61 -60.21 3.41 Favored 'General case' 0 C--O 1.249 1.053 0 O-C-N 124.58 1.175 . . . . 29.42 113.015 176.169 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 312' ' ' ALA . . . . . . . . . . . . . . . -51.61 -38.98 57.06 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-O 117.023 -1.465 . . . . 29.26 113.584 -179.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 313' ' ' GLU . . . . . 0.559 ' OE2' ' CD ' ' B' ' 173' ' ' ARG . 33.1 mm-40 -89.14 6.32 40.55 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 127.743 3.64 . . . . 31.71 113.224 -178.434 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 314' ' ' GLY . . . . . . . . . . . . . . . 95.85 15.36 42.88 Favored Glycine 0 N--CA 1.422 -2.264 0 N-CA-C 120.969 3.148 . . . . 24.69 120.969 176.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 315' ' ' GLY . . . . . 0.607 ' N ' ' O ' ' C' ' 310' ' ' PHE . . . -46.13 122.36 6.05 Favored Glycine 0 C--N 1.304 -1.246 0 N-CA-C 119.292 2.477 . . . . 22.36 119.292 -177.606 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 316' ' ' GLY . . . . . 0.523 ' O ' ' C ' ' C' ' 317' ' ' VAL . . . -112.35 75.6 0.22 Allowed Glycine 0 C--O 1.259 1.668 0 O-C-N 119.799 -2.001 . . . . 20.94 114.794 -177.326 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 317' ' ' VAL . . . . . 0.523 ' C ' ' O ' ' C' ' 316' ' ' GLY . 1.1 t -45.08 149.22 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 115.939 -2.304 . . . . 22.62 107.873 177.296 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 318' ' ' ARG . . . . . 0.972 ' OXT' ' NE2' ' B' ' 57' ' ' HIS . 50.1 mtt180 . . . . . 0 C--O 1.254 1.32 1 CA-C-O 111.589 -4.053 . . . . 22.73 109.755 177.208 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 446' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 450' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 458' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 466' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 470' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 475' ' ' HOH . . . . . 0.828 ' O ' ' CD ' ' A' ' 14' D ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 477' ' ' HOH . . . . . 0.607 ' O ' ' O ' ' A' ' 1' C GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 489' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 491' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 515' ' ' HOH . . . . . 0.575 ' O ' ' CD ' ' A' ' 9' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 400' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 409' ' ' HOH . . . . . 0.681 ' O ' ' O ' ' B' ' 115' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 412' ' ' HOH . . . . . 0.652 ' O ' ' NH1' ' B' ' 206' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 418' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 419' ' ' HOH . . . . . 0.503 ' O ' ' C ' ' B' ' 60' G ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 421' ' ' HOH . . . . . 0.63 ' O ' ' CD1' ' A' ' 1' G PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 423' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 426' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 427' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 429' ' ' HOH . . . . . 0.49 ' O ' ' CE ' ' B' ' 145' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 430' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 431' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 432' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 433' ' ' HOH . . . . . 0.96 ' O ' ' CE2' ' B' ' 89' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 434' ' ' HOH . . . . . 0.62 ' O ' ' CE1' ' B' ' 230' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 435' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 436' ' ' HOH . . . . . 0.912 ' O ' ' CD1' ' B' ' 41' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 437' ' ' HOH . . . . . 0.532 ' O ' ' CD1' ' B' ' 118' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 438' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 440' ' ' HOH . . . . . 0.72 ' O ' ' O ' ' B' ' 110' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 441' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 442' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 443' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 444' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 445' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 448' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 451' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 452' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 453' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 454' ' ' HOH . . . . . 0.577 ' O ' ' CB ' ' B' ' 147' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 455' ' ' HOH . . . . . 0.77 ' O ' ' NE2' ' B' ' 156' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 456' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 457' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 459' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 460' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 461' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 463' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 465' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 467' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 468' ' ' HOH . . . . . 0.589 ' O ' ' N ' ' B' ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 469' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 471' ' ' HOH . . . . . 0.554 ' O ' ' ND2' ' B' ' 60' G ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 473' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 474' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 476' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 478' ' ' HOH . . . . . 0.465 ' O ' ' CG1' ' B' ' 176' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 479' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 480' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 481' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 482' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 483' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 484' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 485' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 486' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 487' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 488' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 490' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 492' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 493' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 495' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 497' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 498' ' ' HOH . . . . . 0.456 ' O ' ' NH1' ' B' ' 206' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 499' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 500' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 513' ' ' HOH . . . . . 0.47 ' O ' ' CB ' ' B' ' 97' A GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 600' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 601' ' ' HOH . . . . . 0.544 ' O ' ' CB ' ' B' ' 78' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 603' ' ' HOH . . . . . 0.797 ' O ' ' O ' ' B' ' 78' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 607' ' ' HOH . . . . . 0.799 ' O ' ' CD ' ' B' ' 50' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 620' ' ' HOH . . . . . 0.705 ' O ' ' OH ' ' B' ' 117' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 622' ' ' HOH . . . . . 0.747 ' O ' ' OH ' ' B' ' 228' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 625' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 626' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 627' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 628' ' ' HOH . . . . . 0.856 ' O ' ' CD1' ' C' ' 311' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 629' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 630' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 631' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 632' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 633' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 634' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 635' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 636' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 637' ' ' HOH . . . . . 0.905 ' O ' ' CD2' ' B' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 447' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 462' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 494' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 496' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' H THR . . . . . 1.052 HG22 ' N ' ' A' ' 1' G PHE . 1.1 m . . . . . 0 C--O 1.212 -0.904 0 CA-C-O 122.531 1.158 . . . . 50.0 108.898 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' G PHE . . . . . 1.166 ' CD1' ' N ' ' A' ' 1' F GLY 0.353 39.8 p90 -92.9 -117.64 0.09 Allowed 'General case' 0 C--N 1.293 -1.885 2 CA-C-O 129.265 4.365 . . . . 50.0 118.207 -177.589 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 1' F GLY . . . . . 1.355 ' HA2' ' CE ' ' B' ' 235' ' ' LYS . . . -41.05 81.12 0.0 OUTLIER Glycine 0 N--CA 1.414 -2.829 1 C-N-CA 136.138 6.59 . . . . 50.0 116.196 179.264 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 1' E SER . . . . . 0.875 ' HA ' ' O ' ' B' ' 123' ' ' LEU . 0.6 OUTLIER 78.67 28.71 0.43 Allowed 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 103.453 -2.795 . . . . 50.0 103.453 -177.943 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 1' D GLY . . . . . 0.714 ' N ' ' O ' ' A' ' 1' G PHE . . . 41.56 -149.8 0.27 Allowed Glycine 0 N--CA 1.419 -2.498 0 N-CA-C 122.292 3.677 . . . . 50.0 122.292 176.909 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 1' C GLU . . . . . 1.103 ' HB2' ' HB3' ' A' ' 1' ' ' CYS . 2.1 mm-40 -34.92 -71.45 0.07 Allowed 'General case' 0 N--CA 1.412 -2.373 2 C-N-CA 139.525 7.13 . . . . 50.0 124.997 -176.781 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 1' B ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 1' C GLU . . . 154.49 -41.04 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 123.67 1.7 . . . . 44.81 110.263 179.998 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 1' A ASP . . . . . 0.624 ' HA ' ' O ' ' B' ' 412' ' ' HOH . 17.2 t0 -128.76 10.61 6.05 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 112.685 -2.052 . . . . 48.82 106.998 -179.621 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 1' ' ' CYS . . . . . 1.103 ' HB3' ' HB2' ' A' ' 1' C GLU . 21.2 p -61.06 147.4 43.89 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 113.119 -1.855 . . . . 30.51 107.456 -179.546 55.321 82.539 88.274 104.407 2.035 105.206 -63.218 -51.065 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLY . . . . . 0.446 ' CA ' ' H ' ' B' ' 207' ' ' TRP . . . 94.54 -25.4 23.12 Favored Glycine 0 N--CA 1.481 1.7 0 CA-C-O 116.654 -2.192 . . . . 26.54 110.526 177.921 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.5 mt -101.26 107.91 19.42 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-N 121.162 2.481 . . . . 24.01 108.471 -178.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ARG . . . . . 0.471 ' NH2' ' OE1' ' A' ' 8' ' ' GLU . 46.4 mtm180 -81.72 134.23 50.9 Favored Pre-proline 0 N--CA 1.477 0.894 0 CA-C-O 117.405 -1.283 . . . . 29.59 109.258 -175.125 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PRO . . . . . 0.464 ' HG2' ' HA ' ' B' ' 116' ' ' ASP . 3.1 Cg_exo -49.43 -52.69 8.32 Favored 'Trans proline' 0 N--CA 1.451 -1.02 0 CA-C-O 114.144 -2.523 . . . . 22.98 110.869 177.607 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . 0.681 ' HA ' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -80.3 2.25 25.4 Favored 'General case' 0 C--O 1.256 1.431 0 N-CA-C 118.172 2.656 . . . . 19.59 118.172 -175.427 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -131.88 -92.75 0.39 Allowed 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 120.775 1.625 . . . . 22.7 114.449 -177.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . 0.471 ' OE1' ' NH2' ' A' ' 4' ' ' ARG . 26.9 mp0 -52.43 -28.6 20.64 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.872 -1.143 . . . . 28.13 111.969 -179.236 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . 0.797 ' HD2' ' O ' ' A' ' 515' ' ' HOH . 0.2 OUTLIER -75.64 -33.43 60.47 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 118.518 0.599 . . . . 30.02 110.063 -176.317 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LYS . . . . . 1.014 ' HG3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -110.43 29.8 7.36 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 118.528 -1.269 . . . . 27.16 107.932 -177.907 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.1 m 32.57 56.79 0.4 Allowed 'General case' 0 C--O 1.254 1.29 0 N-CA-C 118.399 2.741 . . . . 31.64 118.399 179.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . 1.014 ' CD1' ' HG3' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -131.59 157.38 43.79 Favored 'General case' 0 C--O 1.268 2.046 1 C-N-CA 133.27 4.628 . . . . 27.4 106.259 175.943 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . 0.641 ' HB3' ' OE1' ' A' ' 14' C GLU . 20.3 mt-10 -126.92 168.18 14.85 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 114.264 1.209 . . . . 35.25 114.264 -176.983 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.278 1.1 p30 -89.32 -176.43 5.08 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 115.954 -2.298 . . . . 26.38 108.414 -175.221 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' A LYS . . . . . 0.705 ' HG2' ' OE2' ' B' ' 23' ' ' GLU . 0.3 OUTLIER -67.24 -14.61 63.08 Favored 'General case' 0 C--O 1.259 1.573 0 O-C-N 126.157 2.161 . . . . 33.97 114.069 -174.594 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 14' B THR . . . . . 0.573 ' CG2' ' C ' ' A' ' 14' A LYS . 4.3 p -152.14 25.11 0.63 Allowed 'General case' 0 CA--C 1.495 -1.173 0 O-C-N 128.225 3.453 . . . . 24.4 116.884 -174.412 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' C GLU . . . . . 0.641 ' OE1' ' HB3' ' A' ' 13' ' ' GLU . 8.1 pt-20 -70.43 -30.51 67.38 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 117.538 -1.665 . . . . 25.02 108.347 179.57 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' D ARG . . . . . 0.933 ' HD2' ' O ' ' A' ' 475' ' ' HOH . 0.9 OUTLIER -59.91 -32.16 70.5 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 124.694 1.246 . . . . 50.0 112.212 -176.737 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 14' E GLU . . . . . . . . . . . . . 12.8 tt0 -60.54 -34.27 73.89 Favored 'General case' 0 C--O 1.251 1.141 0 O-C-N 125.557 1.786 . . . . 29.73 108.763 177.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' F LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 14' C GLU . 1.8 mp -65.55 -58.55 5.52 Favored 'General case' 0 C--O 1.247 0.929 0 O-C-N 120.257 -1.527 . . . . 29.22 108.772 176.133 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' G LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.59 -51.8 19.89 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 114.305 -1.316 . . . . 31.71 107.782 -179.66 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' H GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 14' D ARG . 57.0 mt-10 -62.1 -31.34 71.78 Favored 'General case' 0 C--O 1.266 1.939 0 C-N-CA 119.314 -0.954 . . . . 40.11 111.621 177.54 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' I SER . . . . . 0.75 ' CB ' ' HG3' ' B' ' 135' ' ' LYS . 0.0 OUTLIER -64.96 -29.88 70.84 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 117.829 -1.549 . . . . 32.51 107.554 178.334 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 14' J TYR . . . . . 0.891 ' O ' HD12 ' A' ' 14' K ILE . 0.1 OUTLIER -91.58 1.92 56.81 Favored 'General case' 0 C--O 1.264 1.839 0 CA-C-O 114.499 -2.667 . . . . 36.84 111.683 179.795 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 14' K ILE . . . . . 0.891 HD12 ' O ' ' A' ' 14' J TYR . 0.1 OUTLIER . . . . . 0 C--O 1.201 -1.484 1 CA-C-O 139.077 9.036 . . . . 30.87 115.364 -178.847 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ILE . . . . . 0.653 HD12 HG12 ' B' ' 158' ' ' VAL . 2.2 mm . . . . . 0 CA--C 1.518 -0.263 0 CA-C-O 119.41 -0.329 . . . . 24.78 110.579 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' VAL . . . . . 0.786 ' O ' ' HA2' ' B' ' 188' ' ' GLY . 98.8 t -114.34 126.95 71.98 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 C-N-CA 127.592 2.357 . . . . 28.33 108.454 179.219 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' GLU . . . . . 0.99 ' HB2' ' HA2' ' B' ' 188' ' ' GLY . 29.5 mm-40 70.57 25.6 4.17 Favored 'General case' 0 C--O 1.251 1.14 0 N-CA-C 114.808 1.41 . . . . 44.66 114.808 177.385 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.86 -161.82 16.48 Favored Glycine 0 N--CA 1.501 2.977 0 CA-C-O 114.334 -3.481 . . . . 32.79 107.501 179.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 89.0 p -143.25 174.25 10.88 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 114.587 -2.625 . . . . 40.25 108.948 179.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -59.89 130.39 46.54 Favored 'General case' 0 C--N 1.317 -0.827 1 O-C-N 129.66 4.35 . . . . 29.32 110.358 -178.141 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.48 178.29 0.58 Allowed 'General case' 0 N--CA 1.477 0.921 0 O-C-N 126.861 2.601 . . . . 27.93 104.667 177.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLU . . . . . 0.705 ' OE2' ' HG2' ' A' ' 14' A LYS . 25.1 mt-10 -119.24 136.8 54.04 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 128.735 3.772 . . . . 35.72 106.905 178.164 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 32.8 mm -49.61 137.02 6.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 120.19 1.359 . . . . 25.49 110.978 -176.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.64 14.28 54.27 Favored Glycine 0 C--O 1.238 0.402 0 N-CA-C 116.952 1.541 . . . . 24.4 116.952 178.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' MET . . . . . 0.578 ' SD ' HG21 ' B' ' 157' ' ' VAL . 4.7 ttm -81.44 -26.1 35.6 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 113.165 -3.303 . . . . 25.4 107.68 -179.498 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.36 61.89 34.51 Favored Pre-proline 0 N--CA 1.495 1.794 0 O-C-N 127.724 3.14 . . . . 22.82 111.402 -179.505 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -56.72 -11.0 6.09 Favored 'Trans proline' 0 N--CA 1.438 -1.751 0 CA-C-O 113.117 -2.951 . . . . 21.97 117.493 -175.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' TRP . . . . . 0.557 ' O ' ' HA ' ' B' ' 45' ' ' SER . 2.1 p90 -104.51 -0.75 27.49 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 125.601 1.813 . . . . 19.92 108.063 -178.076 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -63.89 110.67 2.18 Favored 'General case' 0 C--O 1.27 2.149 0 CA-C-O 116.424 -1.75 . . . . 17.28 108.561 179.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' VAL . . . . . 0.776 HG22 HG23 ' B' ' 68' ' ' ILE . 2.6 t -113.46 144.86 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 CA-C-O 111.763 -3.97 . . . . 18.03 107.638 -179.178 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' MET . . . . . 0.545 ' HE2' ' CE3' ' B' ' 141' ' ' TRP . 7.3 ttm -105.94 123.5 48.08 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 128.993 2.917 . . . . 18.16 111.527 -178.114 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 33' ' ' LEU . . . . . 0.715 HD21 HD23 ' B' ' 64' ' ' LEU . 0.0 OUTLIER -89.67 113.18 24.62 Favored 'General case' 0 N--CA 1.517 2.922 0 N-CA-C 106.109 -1.811 . . . . 25.54 106.109 -177.422 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -110.41 142.63 41.85 Favored 'General case' 0 C--N 1.313 -1.017 0 O-C-N 125.651 1.844 . . . . 27.18 115.423 -173.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ARG . . . . . 0.735 ' O ' ' HA ' ' B' ' 38' ' ' GLN . 44.4 ttt180 -89.99 126.78 35.87 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 112.025 -2.352 . . . . 46.27 111.151 179.492 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 36' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' B' ' 63' ' ' ASP . 9.8 mttt -63.45 -48.71 76.6 Favored 'General case' 0 C--O 1.269 2.112 0 CA-C-N 110.587 -3.006 . . . . 33.84 115.036 -178.626 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 36' A SER . . . . . 0.438 ' HA ' ' C ' ' B' ' 37' ' ' PRO . 3.4 t -171.85 116.67 0.42 Allowed Pre-proline 0 C--N 1.302 -1.48 0 N-CA-C 103.944 -2.613 . . . . 40.91 103.944 179.08 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 37' ' ' PRO . . . . . 0.653 ' O ' ' HG2' ' B' ' 39' ' ' GLU . 1.9 Cg_endo -64.12 127.35 6.2 Favored 'Cis proline' 0 C--O 1.258 1.48 0 O-C-N 123.817 1.43 . . . . 39.42 109.302 1.796 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 38' ' ' GLN . . . . . 0.735 ' HA ' ' O ' ' B' ' 35' ' ' ARG . 63.3 mt-30 -57.21 99.03 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 115.246 -2.311 . . . . 44.07 106.297 177.988 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 39' ' ' GLU . . . . . 0.686 ' OE1' ' NH1' ' B' ' 35' ' ' ARG . 2.5 pt-20 -140.39 157.14 45.99 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 126.721 2.513 . . . . 39.0 109.278 -179.869 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 40' ' ' LEU . . . . . 0.905 ' CD2' ' O ' ' B' ' 637' ' ' HOH . 0.1 OUTLIER -89.64 134.61 34.06 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-O 113.128 -3.32 . . . . 31.16 102.226 177.566 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 41' ' ' LEU . . . . . 0.912 ' CD1' ' O ' ' B' ' 436' ' ' HOH 0.439 1.0 OUTLIER -117.71 -22.53 7.98 Favored 'General case' 0 N--CA 1.508 2.438 2 O-C-N 129.416 4.198 . . . . 28.55 111.89 -176.965 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' B' B ' 42' ' ' CYS . . . . . 0.467 ' HB3' ' O ' ' B' ' 195' ' ' ALA . 59.8 m -169.28 -163.34 0.4 Allowed 'General case' 0 CA--C 1.55 0.961 0 O-C-N 125.607 1.817 . . . . 25.92 107.65 178.896 -74.152 -168.534 -100.3 102.067 2.057 104.745 -78.848 -79.207 2 2 . 1 . 001 ecloud build full ' B' B ' 43' ' ' GLY . . . . . 0.531 ' O ' ' HA3' ' B' ' 196' ' ' GLY . . . -133.6 170.5 22.35 Favored Glycine 0 C--O 1.246 0.855 0 CA-C-O 115.091 -3.061 . . . . 23.13 106.984 -179.283 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' B' ' 53' ' ' LEU . . . -167.07 -176.19 3.27 Favored 'General case' 0 N--CA 1.493 1.684 1 CA-C-O 111.378 -4.153 . . . . 21.74 104.337 -176.428 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 45' ' ' SER . . . . . 0.557 ' HA ' ' O ' ' B' ' 29' ' ' TRP . 30.6 p -135.95 160.65 37.94 Favored 'General case' 0 C--O 1.274 2.391 0 O-C-N 127.415 2.947 . . . . 26.56 108.712 176.837 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 46' ' ' LEU . . . . . 0.894 HD22 ' O ' ' B' ' 48' ' ' SER . 0.0 OUTLIER -97.43 124.8 41.74 Favored 'General case' 0 C--O 1.264 1.857 0 C-N-CA 125.78 1.632 . . . . 20.6 108.782 177.663 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ILE . . . . . 0.543 HG21 HD21 ' B' ' 123' ' ' LEU 0.262 14.7 pt -112.51 -13.63 11.23 Favored 'Isoleucine or valine' 0 C--O 1.247 0.968 0 O-C-N 121.193 -0.942 . . . . 18.64 112.294 -179.843 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 48' ' ' SER . . . . . 0.894 ' O ' HD22 ' B' ' 46' ' ' LEU . 0.1 OUTLIER -148.99 -159.95 1.11 Allowed 'General case' 0 C--O 1.265 1.886 0 C-N-CA 126.134 1.774 . . . . 24.04 106.291 175.404 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 49' ' ' ASP . . . . . 0.653 ' O ' HG12 ' B' ' 112' ' ' VAL . 27.1 p-10 -93.82 -9.09 38.59 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 116.712 -1.995 . . . . 36.2 110.337 176.997 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ARG . . . . . 0.967 ' HD3' ' O ' ' B' ' 607' ' ' HOH . 7.1 mtp180 -131.77 12.78 4.86 Favored 'General case' 0 C--O 1.264 1.845 0 C-N-CA 127.852 2.461 . . . . 43.58 116.249 178.362 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 51' ' ' TRP . . . . . 0.55 ' CH2' ' CE1' ' B' ' 89' ' ' TYR . 71.2 m95 -129.58 133.86 47.42 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 123.971 3.078 . . . . 28.54 106.329 -179.084 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . 0.329 4.7 t -127.82 137.6 57.14 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.728 0 O-C-N 127.378 2.924 . . . . 23.27 106.544 178.529 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' LEU . . . . . 0.531 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 21.7 tp -102.05 140.11 36.77 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 128.201 2.6 . . . . 20.2 108.839 179.781 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 6.9 t -157.68 -179.01 7.75 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 114.947 -1.024 . . . . 22.28 108.961 179.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.55 137.79 32.0 Favored 'General case' 0 C--O 1.272 2.247 0 CA-C-O 124.841 2.258 . . . . 23.59 111.026 176.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.36 -38.33 74.02 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 118.765 -2.46 . . . . 24.22 110.001 -177.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' HIS . . . . . 0.964 ' NE2' ' OXT' ' C' ' 318' ' ' ARG . 0.2 OUTLIER -67.54 -4.98 13.18 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 112.269 -2.241 . . . . 22.84 111.056 -177.28 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 26.4 m -80.03 -36.32 35.95 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 122.895 1.331 . . . . 21.23 107.437 178.804 -79.207 -78.848 -100.3 104.745 2.057 102.067 -168.534 -74.152 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' LEU . . . . . 0.491 HD13 HG23 ' B' ' 88' ' ' ILE . 1.8 mt -96.13 -48.44 5.66 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 115.212 -2.328 . . . . 21.22 108.924 -178.852 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.83 113.12 13.68 Favored 'General case' 0 C--O 1.254 1.325 0 CA-C-N 121.791 2.087 . . . . 24.44 114.333 178.544 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 60' A TYR . . . . . 0.755 ' CZ ' ' HG2' ' B' ' 60' C PRO . 44.6 t80 -143.5 92.42 6.59 Favored Pre-proline 0 C--O 1.256 1.421 0 O-C-N 126.197 2.186 . . . . 29.38 108.589 178.756 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 60' B PRO . . . . . 0.857 ' HG2' ' CE2' ' B' ' 96' ' ' TRP 0.273 5.7 Cg_exo -46.54 -59.34 1.26 Allowed 'Trans proline' 0 C--O 1.278 2.516 0 N-CA-C 119.035 2.667 . . . . 27.21 119.035 -177.209 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 60' C PRO . . . . . 0.755 ' HG2' ' CZ ' ' B' ' 60' A TYR . 6.3 Cg_exo -43.69 -4.36 0.02 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.264 1.976 . . . . 30.29 113.423 -177.488 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 60' D TRP . . . . . 0.625 ' N ' ' O ' ' B' ' 60' B PRO . 29.5 m0 -122.87 1.89 9.36 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 124.911 1.382 . . . . 31.97 107.819 -177.88 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 60' E ASP . . . . . 0.492 ' N ' ' O ' ' B' ' 60' B PRO . 13.0 m-20 60.75 33.4 20.15 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 127.809 3.193 . . . . 47.27 108.46 -175.983 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 60' F LYS . . . . . 0.55 ' O ' ' HB2' ' B' ' 60' G ASN . 5.3 mtmt -88.52 139.27 30.65 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 127.26 2.85 . . . . 35.84 106.072 179.639 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 60' G ASN . . . . . 0.554 ' ND2' ' O ' ' B' ' 471' ' ' HOH . 34.5 t-20 -178.31 71.7 0.02 OUTLIER 'General case' 0 C--N 1.308 -1.231 0 O-C-N 126.426 2.329 . . . . 43.71 107.463 177.539 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 60' H PHE . . . . . 0.605 ' HB3' ' OD1' ' B' ' 63' ' ' ASP . 4.6 m-85 -90.78 159.39 16.33 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 122.608 1.194 . . . . 36.33 109.103 -177.355 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 60' I THR . . . . . 0.796 HG22 ' HB2' ' B' ' 62' ' ' ASN . 1.3 m -109.33 154.0 23.12 Favored 'General case' 0 C--N 1.289 -2.024 0 C-N-CA 130.768 3.627 . . . . 40.25 109.347 179.272 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 61' ' ' GLU . . . . . 0.552 ' OE1' ' N ' ' B' ' 88' ' ' ILE . 1.6 pm0 -52.76 4.21 0.01 OUTLIER 'General case' 0 C--O 1.253 1.287 0 CA-C-N 113.912 -1.495 . . . . 39.45 111.004 179.182 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ASN . . . . . 0.796 ' HB2' HG22 ' B' ' 60' I THR . 1.7 m-80 -103.01 -37.42 7.78 Favored 'General case' 0 C--O 1.256 1.407 0 N-CA-C 120.053 3.353 . . . . 45.5 120.053 -175.5 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ASP . . . . . 0.633 ' HB2' HD12 ' B' ' 64' ' ' LEU . 0.8 OUTLIER -73.35 -7.0 49.75 Favored 'General case' 0 C--N 1.313 -1.001 0 O-C-N 126.02 2.075 . . . . 40.27 108.083 -177.655 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 64' ' ' LEU . . . . . 0.715 HD23 HD21 ' B' ' 33' ' ' LEU . 10.4 mp -122.72 163.82 19.43 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 120.238 3.421 . . . . 33.23 120.238 -169.692 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 65' ' ' LEU . . . . . 0.646 HD11 ' CE ' ' B' ' 84' ' ' MET 0.336 1.3 tp -144.59 144.46 31.3 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 128.022 3.326 . . . . 30.35 111.012 178.999 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -108.02 137.94 36.99 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.227 0 CA-C-O 113.446 -3.169 . . . . 24.68 103.372 174.843 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ARG . . . . . 0.521 ' NE ' ' OE2' ' B' ' 80' ' ' GLU . 29.7 mtp180 -108.06 123.92 49.42 Favored 'General case' 0 C--O 1.27 2.157 0 N-CA-C 104.859 -2.274 . . . . 23.07 104.859 177.953 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 68' ' ' ILE . . . . . 0.776 HG23 HG22 ' B' ' 31' ' ' VAL . 1.9 mt -118.84 143.61 29.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 CA-C-N 121.374 1.897 . . . . 21.77 113.609 -177.735 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 69' ' ' GLY . . . . . 0.691 ' O ' HD11 ' B' ' 79' ' ' ILE . . . 89.19 21.82 40.31 Favored Glycine 0 CA--C 1.484 -1.882 0 C-N-CA 128.865 3.126 . . . . 20.62 116.03 177.847 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 70' ' ' LYS . . . . . 0.469 ' HE3' ' O ' ' B' ' 72' ' ' SER . 16.2 mtpp -87.68 161.44 17.65 Favored 'General case' 0 C--N 1.286 -2.176 1 CA-C-N 124.801 4.3 . . . . 20.09 121.101 -175.885 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -127.6 -54.05 1.34 Allowed 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 129.154 2.982 . . . . 24.24 107.906 177.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' SER . . . . . 0.469 ' O ' ' HE3' ' B' ' 70' ' ' LYS . 1.9 t -75.77 148.32 38.57 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 118.103 -1.439 . . . . 25.74 107.756 -177.993 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . 0.276 14.0 ttp-105 -82.37 -19.24 39.6 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 105.591 -2.003 . . . . 24.65 105.591 -178.626 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 74' ' ' THR . . . . . 0.525 HG22 ' N ' ' B' ' 75' ' ' ARG 0.251 0.8 OUTLIER -126.85 -56.15 1.37 Allowed 'General case' 0 CA--C 1.478 -1.82 3 N-CA-C 123.99 4.811 . . . . 28.35 123.99 -171.044 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ARG . . . . . 0.525 ' N ' HG22 ' B' ' 74' ' ' THR . 0.0 OUTLIER -51.29 149.98 3.69 Favored 'General case' 0 C--O 1.255 1.384 0 CA-C-N 120.233 1.379 . . . . 45.78 112.865 -179.286 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -88.98 109.49 20.31 Favored 'General case' 0 CA--C 1.564 1.518 0 N-CA-C 100.47 -3.9 . . . . 27.29 100.47 172.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -85.72 84.95 7.44 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 127.732 3.145 . . . . 32.45 111.528 -178.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' A ARG . . . . . . . . . . . . 0.373 2.4 mtp180 -29.14 -81.07 0.01 OUTLIER 'General case' 0 C--O 1.305 3.988 1 C-N-CA 131.719 4.008 . . . . 26.47 118.576 -176.276 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 78' ' ' ASN . . . . . 0.989 ' HB2' ' O ' ' B' ' 601' ' ' HOH 0.311 77.4 m-20 -88.59 -4.41 58.59 Favored 'General case' 0 N--CA 1.512 2.64 1 CA-C-N 126.557 4.253 . . . . 25.56 107.95 -178.746 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 79' ' ' ILE . . . . . 0.691 HD11 ' O ' ' B' ' 69' ' ' GLY 0.52 0.1 OUTLIER -83.77 -44.13 18.16 Favored 'Isoleucine or valine' 0 C--O 1.284 2.883 0 CA-C-O 113.211 -3.28 . . . . 24.06 117.839 -174.957 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 80' ' ' GLU . . . . . 0.521 ' OE2' ' NE ' ' B' ' 67' ' ' ARG . 2.4 pt-20 -85.31 167.58 15.47 Favored 'General case' 0 N--CA 1.509 2.523 0 CA-C-N 124.686 3.403 . . . . 24.56 114.079 179.847 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 81' ' ' LYS . . . . . 0.631 ' HD2' ' CD1' ' B' ' 118' ' ' ILE . 2.9 mttt -136.16 119.17 16.41 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 116.984 -1.484 . . . . 37.79 107.293 176.316 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 5.0 mm -86.46 130.73 36.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 CA-C-N 120.9 1.682 . . . . 29.7 108.899 178.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.59 150.92 49.5 Favored 'General case' 0 C--O 1.25 1.1 0 N-CA-C 114.178 1.177 . . . . 27.76 114.178 -178.258 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 84' ' ' MET . . . . . 0.646 ' CE ' HD11 ' B' ' 65' ' ' LEU . 15.7 mmt -105.94 155.38 19.42 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 114.532 -2.651 . . . . 38.32 108.812 -177.57 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 85' ' ' LEU . . . . . 0.71 ' CD1' ' HE3' ' B' ' 106' ' ' MET . 7.9 mt -93.9 132.59 38.18 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 126.947 2.654 . . . . 29.85 116.306 179.29 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 86' ' ' GLU . . . . . 0.769 ' HB3' ' HG2' ' B' ' 107' ' ' LYS . 0.9 OUTLIER -89.43 -58.84 2.39 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 120.558 -1.339 . . . . 49.66 108.955 178.615 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 87' ' ' LYS . . . . . 0.996 ' HD2' ' CE2' ' B' ' 89' ' ' TYR . 9.3 tmtt? -140.07 156.72 46.46 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 105.164 -2.161 . . . . 37.63 105.164 177.114 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 88' ' ' ILE . . . . . 0.726 ' O ' ' HD3' ' B' ' 87' ' ' LYS 0.256 0.9 OUTLIER -120.8 136.53 57.48 Favored 'Isoleucine or valine' 0 C--O 1.275 2.413 0 O-C-N 127.677 3.111 . . . . 29.95 103.099 178.751 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 89' ' ' TYR . . . . . 1.158 ' HE2' ' O ' ' B' ' 433' ' ' HOH . 39.4 m-85 -129.56 111.34 12.63 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 123.515 2.87 . . . . 34.32 110.197 -179.895 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 1.4 mm -93.4 145.01 8.31 Favored 'Isoleucine or valine' 0 C--O 1.251 1.15 0 O-C-N 124.727 1.267 . . . . 32.58 109.4 179.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -63.03 125.28 86.46 Favored Pre-proline 0 C--O 1.257 1.454 0 CA-C-O 122.8 1.286 . . . . 33.2 110.919 -177.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -52.14 -25.59 23.54 Favored 'Trans proline' 0 C--O 1.256 1.398 0 CA-C-O 116.942 -1.358 . . . . 34.57 110.899 179.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' ARG . . . . . 0.565 ' O ' ' HD2' ' B' ' 101' ' ' ARG . 11.2 mtp180 -126.13 52.38 1.7 Allowed 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 117.422 -1.711 . . . . 50.0 115.225 -179.785 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 94' ' ' TYR . . . . . 0.423 ' HB2' ' O ' ' B' ' 101' ' ' ARG . 0.6 OUTLIER -94.08 119.96 33.66 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 128.908 2.883 . . . . 31.85 104.278 178.738 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 95' ' ' ASN . . . . . 0.733 HD21 ' HB3' ' B' ' 97' A GLU . 29.1 t-20 -106.24 106.17 16.55 Favored 'General case' 0 C--O 1.268 2.034 0 CA-C-O 112.039 -3.838 . . . . 34.87 113.365 -175.501 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 96' ' ' TRP . . . . . 0.857 ' CE2' ' HG2' ' B' ' 60' B PRO . 59.0 p-90 -91.54 -26.05 18.95 Favored 'General case' 0 C--O 1.272 2.287 0 O-C-N 127.713 3.133 . . . . 32.26 116.525 179.442 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 97' ' ' ARG . . . . . 0.536 ' HG3' ' CH2' ' B' ' 96' ' ' TRP . 4.8 mtm-85 -66.88 -37.47 84.47 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 120.477 1.489 . . . . 50.0 113.87 -179.759 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 97' A GLU . . . . . 0.94 ' HB2' ' O ' ' B' ' 513' ' ' HOH . 63.4 tt0 -107.55 -55.69 2.32 Favored 'General case' 0 C--O 1.272 2.275 1 N-CA-C 126.3 5.666 . . . . 46.31 126.3 -173.91 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 98' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' B' ' 98' ' ' ASN . 35.3 p-10 -140.31 -5.85 1.23 Allowed 'General case' 0 N--CA 1.516 2.846 0 C-N-CA 115.839 -2.345 . . . . 32.58 111.915 -177.908 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 99' ' ' LEU . . . . . 0.576 HD13 ' CE2' ' C' ' 310' ' ' PHE . 1.3 mp 72.46 31.85 1.7 Allowed 'General case' 0 C--O 1.258 1.518 0 CA-C-O 124.551 2.12 . . . . 30.77 112.238 178.916 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 100' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' B' ' 101' ' ' ARG 0.306 0.0 OUTLIER -74.8 134.91 41.7 Favored 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 127.535 3.54 . . . . 39.77 108.611 177.671 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ARG . . . . . 0.565 ' HD2' ' O ' ' B' ' 93' ' ' ARG . 75.5 mtt85 69.0 51.02 0.56 Allowed 'General case' 0 C--O 1.22 -0.474 0 O-C-N 118.491 -2.63 . . . . 37.24 108.422 178.455 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 102' ' ' ASP . . . . . 0.426 ' O ' HG21 ' B' ' 229' ' ' THR . 46.3 t0 -86.09 89.73 7.91 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 100.736 -3.802 . . . . 23.41 100.736 176.257 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 14.2 tt -159.83 145.88 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 1 O-C-N 130.217 4.698 . . . . 21.0 111.79 -177.998 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -157.74 146.37 19.3 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 124.445 1.098 . . . . 19.41 108.614 179.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' LEU . . . . . 0.747 HD11 HG23 ' B' ' 238' ' ' ILE . 44.7 mt -110.47 154.23 23.94 Favored 'General case' 0 C--O 1.251 1.173 0 N-CA-C 106.237 -1.764 . . . . 23.13 106.237 176.666 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 106' ' ' MET . . . . . 0.71 ' HE3' ' CD1' ' B' ' 85' ' ' LEU . 22.1 mtp -136.54 134.97 38.07 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 103.086 -2.931 . . . . 22.69 103.086 178.212 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 107' ' ' LYS . . . . . 0.769 ' HG2' ' HB3' ' B' ' 86' ' ' GLU . 0.7 OUTLIER -104.2 128.55 51.92 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 105.903 -1.888 . . . . 39.29 105.903 178.308 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 6.0 mt -73.35 137.65 44.88 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 110.24 -3.164 . . . . 23.87 104.075 -177.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.48 -31.61 66.15 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 103.977 -2.601 . . . . 33.0 103.977 176.473 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 110' ' ' LYS . . . . . 0.72 ' O ' ' O ' ' B' ' 440' ' ' HOH . 2.4 mttm -138.86 147.09 52.82 Favored Pre-proline 0 N--CA 1.495 1.804 0 O-C-N 124.949 1.405 . . . . 42.44 111.137 -177.869 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 111' ' ' PRO . . . . . 0.513 ' HA ' ' O ' ' B' ' 49' ' ' ASP . 2.4 Cg_endo -69.88 143.52 50.54 Favored 'Trans proline' 0 C--O 1.247 0.93 0 C-N-CA 122.895 2.396 . . . . 29.89 106.428 -179.263 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 112' ' ' VAL . . . . . 0.653 HG12 ' O ' ' B' ' 49' ' ' ASP . 2.7 p -88.67 156.18 3.12 Favored 'Isoleucine or valine' 0 C--O 1.254 1.291 1 O-C-N 130.978 5.174 . . . . 31.21 107.725 -179.331 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -101.74 116.18 32.17 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 106.12 -1.807 . . . . 27.75 106.12 -178.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' B' ' 114' ' ' PHE . 11.8 m-30 -54.1 159.22 1.9 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 127.935 3.272 . . . . 24.28 109.622 -179.509 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 115' ' ' SER . . . . . 0.681 ' O ' ' O ' ' B' ' 409' ' ' HOH . 93.5 p -161.69 -163.28 0.95 Allowed 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.216 -1.031 . . . . 23.78 108.216 179.909 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 116' ' ' ASP . . . . . 0.464 ' HA ' ' HG2' ' A' ' 5' ' ' PRO . 84.2 m-20 -77.92 -9.31 59.02 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-O 114.576 -2.63 . . . . 25.86 107.83 177.029 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 117' ' ' TYR . . . . . 0.705 ' OH ' ' O ' ' B' ' 620' ' ' HOH . 6.9 m-85 -120.22 -9.81 9.48 Favored 'General case' 0 C--N 1.291 -1.938 0 O-C-N 125.072 1.483 . . . . 23.66 112.82 -175.017 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 118' ' ' ILE . . . . . 0.929 HD12 ' O ' ' B' ' 437' ' ' HOH . 65.2 mt -127.08 111.35 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 C-N-CA 128.524 2.73 . . . . 26.91 115.217 179.748 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 119' ' ' HIS . . . . . 0.461 ' CD2' ' HD2' ' B' ' 120' ' ' PRO . 8.1 t60 -166.23 158.47 12.07 Favored Pre-proline 0 N--CA 1.498 1.952 0 CA-C-O 111.923 -3.894 . . . . 28.78 103.652 178.825 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 120' ' ' PRO . . . . . 0.812 ' HG2' ' HG3' ' A' ' 1' C GLU . 2.0 Cg_endo -94.07 147.94 2.03 Favored 'Trans proline' 0 N--CA 1.449 -1.123 1 O-C-N 131.131 5.28 . . . . 24.86 119.827 -171.913 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 121' ' ' VAL . . . . . 0.523 ' HB ' ' CG ' ' B' ' 29' ' ' TRP . 14.3 p -84.84 163.41 2.76 Favored 'Isoleucine or valine' 0 C--O 1.256 1.4 0 CA-C-O 115.121 -2.371 . . . . 23.34 110.763 178.068 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 122' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' A' ' 1' ' ' CYS . 34.5 m -104.4 151.02 24.0 Favored 'General case' 0 C--O 1.275 2.429 0 CA-C-N 123.874 3.034 . . . . 25.58 108.929 -177.042 -51.065 -63.218 88.274 105.206 2.035 104.407 82.539 55.321 2 2 . 1 . 001 ecloud build full ' B' B ' 123' ' ' LEU . . . . . 0.875 ' O ' ' HA ' ' A' ' 1' E SER . 7.1 mt -100.52 140.55 21.5 Favored Pre-proline 0 N--CA 1.507 2.42 0 N-CA-C 101.134 -3.654 . . . . 26.58 101.134 178.337 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 124' ' ' PRO . . . . . 0.483 ' HG3' ' SD ' ' B' ' 210' ' ' MET . 1.4 Cg_endo -69.35 155.45 67.27 Favored 'Trans proline' 0 N--CA 1.446 -1.316 1 O-C-N 128.842 4.075 . . . . 29.28 114.548 -174.388 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 125' ' ' ASP . . . . . 0.714 ' HB2' ' OE2' ' B' ' 127' ' ' GLU . 9.7 p30 -104.56 157.01 17.46 Favored 'General case' 0 C--O 1.265 1.918 0 O-C-N 125.789 1.93 . . . . 34.82 106.427 174.395 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 126' ' ' ARG . . . . . 0.974 ' HB3' ' OE1' ' B' ' 127' ' ' GLU . 28.9 ttt180 -25.74 -62.02 0.07 Allowed 'General case' 0 C--N 1.304 -1.374 0 CA-C-O 127.526 3.536 . . . . 50.0 115.62 -176.473 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 127' ' ' GLU . . . . . 0.974 ' OE1' ' HB3' ' B' ' 126' ' ' ARG . 0.0 OUTLIER -56.79 -42.14 78.93 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 109.699 -3.41 . . . . 47.32 115.614 -179.098 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 1.3 m -71.32 -29.79 65.44 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.796 1.635 . . . . 38.58 109.315 -177.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' B' ' 130' ' ' LEU . . . -59.32 -52.22 66.58 Favored 'General case' 0 C--O 1.247 0.962 0 CA-C-N 110.983 -2.826 . . . . 32.85 107.379 -179.905 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 129' A ALA . . . . . . . . . . . . . . . -63.21 -46.22 88.01 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-O 123.962 1.839 . . . . 29.16 111.021 -178.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' B SER . . . . . 0.762 ' O ' ' NE2' ' B' ' 131' ' ' GLN . 7.2 m -46.15 -66.88 0.34 Allowed 'General case' 0 C--N 1.305 -1.36 0 O-C-N 119.754 -1.841 . . . . 30.21 111.97 -179.782 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 129' C LEU . . . . . 0.412 HD21 ' HD3' ' B' ' 204' ' ' PRO . 48.5 mt -83.92 -38.65 20.8 Favored 'General case' 0 C--O 1.248 1.015 1 O-C-N 130.2 4.687 . . . . 22.82 117.008 -172.331 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 130' ' ' LEU . . . . . 0.825 HD23 ' CD1' ' B' ' 162' ' ' ILE . 17.8 mt -72.97 85.31 1.27 Allowed 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 122.896 2.589 . . . . 21.75 110.129 179.41 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 131' ' ' GLN . . . . . 0.762 ' NE2' ' O ' ' B' ' 129' B SER . 65.6 mt-30 -141.83 134.48 28.42 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 114.526 -1.215 . . . . 31.52 110.815 -178.555 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 132' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' B' ' 468' ' ' HOH . . . -46.76 136.3 8.14 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 114.443 -2.903 . . . . 23.7 105.902 179.94 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 133' ' ' GLY . . . . . . . . . . . . . . . 100.79 -32.72 7.09 Favored Glycine 0 C--O 1.259 1.691 0 O-C-N 127.43 2.956 . . . . 24.38 115.809 174.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 134' ' ' TYR . . . . . 0.592 ' HD1' ' N ' ' B' ' 134' ' ' TYR . 1.4 m-30 -67.5 142.97 56.41 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 126.212 1.772 . . . . 24.52 108.518 179.187 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 135' ' ' LYS . . . . . 0.75 ' HG3' ' CB ' ' A' ' 14' I SER . 67.9 mttt -90.74 156.11 18.31 Favored 'General case' 0 CA--C 1.494 -1.209 0 O-C-N 125.198 1.561 . . . . 27.82 114.033 -177.219 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 136' ' ' GLY . . . . . 0.555 ' HA3' ' CZ ' ' B' ' 199' ' ' PHE . . . -129.32 167.1 21.41 Favored Glycine 0 C--O 1.255 1.418 0 CA-C-N 113.565 -1.652 . . . . 23.45 111.08 179.24 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 137' ' ' ARG . . . . . 0.631 ' HB3' ' CG2' ' B' ' 200' ' ' VAL . 0.0 OUTLIER -120.17 124.7 46.38 Favored 'General case' 0 C--O 1.26 1.645 0 N-CA-C 106.282 -1.747 . . . . 21.82 106.282 178.277 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 138' ' ' VAL . . . . . 0.797 HG23 ' HD1' ' B' ' 199' ' ' PHE . 4.2 t -124.8 121.93 62.36 Favored 'Isoleucine or valine' 0 C--O 1.261 1.682 0 N-CA-C 103.261 -2.866 . . . . 21.75 103.261 178.633 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 139' ' ' THR . . . . . 0.871 HG22 HG22 ' B' ' 157' ' ' VAL . 2.6 p -121.64 145.27 48.17 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 126.134 2.146 . . . . 20.48 106.312 179.108 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 140' ' ' GLY . . . . . 0.443 ' HA3' ' OD2' ' B' ' 194' ' ' ASP . . . -167.65 164.41 37.91 Favored Glycine 0 C--O 1.257 1.59 0 CA-C-O 123.7 1.722 . . . . 19.9 112.125 179.723 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 141' ' ' TRP . . . . . 0.545 ' CE3' ' HE2' ' B' ' 32' ' ' MET . 6.2 m-90 -111.39 17.16 20.4 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 113.207 -1.496 . . . . 23.02 106.969 177.91 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -69.68 -177.28 18.05 Favored Glycine 0 C--N 1.302 -1.324 0 C-N-CA 127.869 2.652 . . . . 28.2 114.57 -177.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 143' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' B' ' 192' ' ' GLU 0.25 35.8 m-20 -59.22 151.79 22.2 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 123.265 1.507 . . . . 35.55 110.922 -177.745 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 144' ' ' LEU . . . . . 0.576 ' O ' ' HG3' ' B' ' 145' ' ' LYS . 28.2 mt -90.15 -12.91 36.85 Favored 'General case' 0 C--N 1.308 -1.2 0 C-N-CA 127.393 2.277 . . . . 34.93 108.788 179.598 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 145' ' ' LYS . . . . . 0.614 ' HE2' ' O ' ' B' ' 429' ' ' HOH . 0.0 OUTLIER -160.85 147.34 15.06 Favored 'General case' 0 C--O 1.257 1.459 0 O-C-N 125.843 1.964 . . . . 38.75 111.02 175.88 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 146' ' ' GLU . . . . . 0.613 ' HB2' ' HB2' ' B' ' 220' ' ' CYS . 31.8 tt0 -39.49 -47.77 1.91 Allowed 'General case' 0 C--O 1.249 1.048 0 O-C-N 125.052 1.47 . . . . 40.93 110.104 -178.314 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 147' ' ' THR . . . . . 0.716 ' HB ' ' O ' ' B' ' 454' ' ' HOH . 0.3 OUTLIER . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 112.964 -1.925 . . . . 50.0 110.574 177.567 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 107.666 -2.173 . . . . 36.13 107.666 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 151' ' ' GLN . . . . . 0.416 ' H ' ' HG2' ' B' ' 151' ' ' GLN 0.359 0.0 OUTLIER -101.31 150.99 37.64 Favored Pre-proline 0 N--CA 1.495 1.801 0 N-CA-C 101.876 -3.379 . . . . 39.07 101.876 179.936 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 152' ' ' PRO . . . . . 0.496 ' HG3' ' O ' ' B' ' 403' ' ' HOH . 4.3 Cg_endo -82.67 177.03 7.24 Favored 'Trans proline' 0 C--N 1.302 -1.884 1 O-C-N 129.142 4.233 . . . . 28.65 107.753 -176.533 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 4.3 t -94.92 -23.43 17.43 Favored 'General case' 0 C--N 1.315 -0.92 0 O-C-N 125.733 1.896 . . . . 30.06 107.227 178.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 1.8 t -135.05 153.14 33.85 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 CA-C-O 126.438 3.018 . . . . 25.72 113.255 -177.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 11.1 tp -51.62 131.94 30.17 Favored 'General case' 0 C--O 1.262 1.733 0 CA-C-N 111.984 -2.371 . . . . 23.97 108.337 179.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 156' ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' B' ' 403' ' ' HOH . 20.8 mm100 -100.41 154.0 18.88 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 120.148 1.34 . . . . 27.55 113.761 -178.747 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 157' ' ' VAL . . . . . 0.871 HG22 HG22 ' B' ' 139' ' ' THR . 80.3 t -133.2 144.43 36.34 Favored 'Isoleucine or valine' 0 C--O 1.249 1.03 0 CA-C-O 114.354 -2.736 . . . . 21.26 107.308 178.445 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 158' ' ' VAL . . . . . 0.653 HG12 HD12 ' B' ' 16' ' ' ILE . 3.5 p -150.06 127.79 2.63 Favored 'Isoleucine or valine' 0 C--O 1.256 1.43 0 O-C-N 128.139 3.399 . . . . 19.83 106.608 175.595 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 159' ' ' ASN . . . . . 0.547 ' HA ' ' O ' ' B' ' 136' ' ' GLY . 76.7 m-20 -93.8 126.82 39.2 Favored 'General case' 0 C--O 1.253 1.248 0 CA-C-O 115.187 -2.34 . . . . 20.14 107.034 178.362 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 160' ' ' LEU . . . . . . . . . . . . . 1.1 mt -140.27 155.8 70.14 Favored Pre-proline 0 C--N 1.315 -0.92 0 CA-C-O 114.86 -2.495 . . . . 21.49 108.636 -178.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 161' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' B' ' 135' ' ' LYS . 7.0 Cg_endo -93.32 140.52 1.71 Allowed 'Trans proline' 0 C--O 1.248 0.987 0 C-N-CA 122.463 2.109 . . . . 23.73 115.082 -178.775 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 162' ' ' ILE . . . . . 0.825 ' CD1' HD23 ' B' ' 130' ' ' LEU . 1.9 mt -58.63 148.33 6.48 Favored 'Isoleucine or valine' 0 C--O 1.248 0.987 0 O-C-N 119.78 -1.825 . . . . 28.42 110.205 173.999 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 163' ' ' VAL . . . . . . . . . . . . . 78.5 t -111.85 153.31 13.56 Favored 'Isoleucine or valine' 0 C--O 1.259 1.602 0 CA-C-O 122.708 1.242 . . . . 32.68 110.249 179.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 164' ' ' GLU . . . . . 0.738 ' HB2' HG23 ' B' ' 167' ' ' VAL . 8.9 mp0 -67.92 127.79 34.12 Favored 'General case' 0 C--O 1.258 1.504 0 CA-C-O 115.229 -2.319 . . . . 33.92 113.133 -179.225 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 165' ' ' ARG . . . . . 0.535 ' CB ' ' CD ' ' B' ' 166' ' ' PRO . 0.0 OUTLIER -29.11 -63.28 0.2 Allowed Pre-proline 0 C--O 1.249 1.047 0 C-N-CA 127.513 2.325 . . . . 46.94 116.673 179.103 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 166' ' ' PRO . . . . . 0.535 ' CD ' ' CB ' ' B' ' 165' ' ' ARG . 6.2 Cg_exo -52.34 -48.94 19.22 Favored 'Trans proline' 0 C--O 1.247 0.971 0 CA-C-O 116.916 -1.368 . . . . 35.53 108.882 174.989 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 167' ' ' VAL . . . . . 0.738 HG23 ' HB2' ' B' ' 164' ' ' GLU . 0.4 OUTLIER -58.47 -44.16 88.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 C-N-CA 115.302 -2.559 . . . . 35.83 110.25 -178.102 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 168' ' ' CYS . . . . . 0.603 ' HB3' ' O ' ' B' ' 478' ' ' HOH . 89.4 m -52.42 -51.52 58.71 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 107.834 -1.173 . . . . 34.7 107.834 -177.979 -68.144 -54.541 -103.874 105.729 2.056 98.719 -77.588 87.459 2 2 . 1 . 001 ecloud build full ' B' B ' 169' ' ' LYS . . . . . 0.721 ' NZ ' HG22 ' B' ' 176' ' ' ILE . 17.8 mttp -62.37 -26.54 68.51 Favored 'General case' 0 C--O 1.259 1.59 0 O-C-N 126.626 2.454 . . . . 49.97 115.837 -177.207 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 170' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -84.35 -14.06 50.61 Favored 'General case' 0 C--O 1.255 1.346 0 C-N-CA 126.232 1.813 . . . . 48.26 113.62 -177.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 9.6 p -90.84 -26.74 19.25 Favored 'General case' 0 C--O 1.263 1.781 0 O-C-N 127.09 2.744 . . . . 37.9 110.241 -177.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 172' ' ' THR . . . . . 0.554 ' HA ' ' O ' ' B' ' 407' ' ' HOH . 6.2 t -130.52 153.4 48.87 Favored 'General case' 0 CA--C 1.501 -0.929 0 O-C-N 126.641 2.463 . . . . 34.13 116.761 -174.588 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 173' ' ' ARG . . . . . 1.031 ' HD3' ' OE2' ' C' ' 313' ' ' GLU . 11.6 mtt180 -87.76 -15.39 37.11 Favored 'General case' 0 C--O 1.247 0.926 0 C-N-CA 127.301 2.24 . . . . 50.0 110.854 -178.641 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 174' ' ' ILE . . . . . 0.591 ' CD1' ' HA ' ' C' ' 310' ' ' PHE . 5.2 mm -66.61 156.16 6.73 Favored 'Isoleucine or valine' 0 C--O 1.26 1.614 0 O-C-N 127.03 2.706 . . . . 32.54 107.646 177.296 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 175' ' ' ARG . . . . . 0.823 ' NH1' ' OE2' ' B' ' 97' A GLU . 0.0 OUTLIER -85.06 68.77 10.66 Favored 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 126.266 1.826 . . . . 37.59 113.935 178.303 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 176' ' ' ILE . . . . . 0.791 HG13 ' O ' ' B' ' 478' ' ' HOH 0.291 0.3 OUTLIER -39.16 128.34 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.285 2.958 0 CA-C-O 116.284 -1.817 . . . . 32.32 109.788 176.125 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 177' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.59 174.33 5.97 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 121.52 1.964 . . . . 32.38 109.34 176.886 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 178' ' ' ASP . . . . . 0.715 ' HB3' ' NH1' ' B' ' 233' ' ' ARG . 7.4 m-20 -60.66 -14.96 23.87 Favored 'General case' 0 C--O 1.253 1.28 0 C-N-CA 129.798 3.239 . . . . 38.53 114.678 178.024 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 179' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -97.39 19.53 13.11 Favored 'General case' 0 C--O 1.254 1.334 0 CA-C-O 112.431 -3.652 . . . . 33.66 114.687 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 180' ' ' MET . . . . . 0.697 ' HG2' ' O ' ' B' ' 448' ' ' HOH . 4.8 mtt -142.62 172.51 12.59 Favored 'General case' 0 C--N 1.289 -2.034 0 CA-C-O 115.46 -2.21 . . . . 25.57 105.843 178.677 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 181' ' ' PHE . . . . . 0.436 ' CE2' ' O ' ' B' ' 210' ' ' MET . 54.0 p90 -154.04 164.77 37.91 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 101.842 -3.392 . . . . 23.89 101.842 179.391 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 182' ' ' CYS . . . . . . . . . . . . 0.28 1.4 p -129.02 149.99 50.61 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 127.423 2.952 . . . . 27.32 109.148 -179.624 87.459 -77.588 -103.874 98.719 2.056 105.729 -54.541 -68.144 2 2 . 1 . 001 ecloud build full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . -150.53 160.83 43.51 Favored 'General case' 0 C--O 1.256 1.4 0 C-N-CA 117.61 -1.636 . . . . 25.97 108.587 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 184' ' ' GLY . . . . . . . . . . . . . . . 134.05 168.86 11.9 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 129.05 3.214 . . . . 27.78 109.589 -177.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 184' A TYR . . . . . . . . . . . . . 90.9 m-85 -71.97 164.38 26.21 Favored 'General case' 0 C--O 1.261 1.678 0 O-C-N 121.066 -1.255 . . . . 32.6 112.635 -178.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 185' ' ' LYS . . . . . 0.712 ' HB3' ' HD2' ' B' ' 186' ' ' PRO . 6.3 mttt -93.72 163.4 24.33 Favored Pre-proline 0 C--O 1.253 1.268 0 N-CA-C 104.594 -2.373 . . . . 42.67 104.594 174.84 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 186' ' ' PRO . . . . . 0.712 ' HD2' ' HB3' ' B' ' 185' ' ' LYS . 2.6 Cg_endo -56.33 -47.08 26.01 Favored 'Trans proline' 0 C--O 1.269 2.026 0 O-C-N 124.939 2.021 . . . . 40.88 111.109 -178.306 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 186' A ASP . . . . . . . . . . . . . 1.5 p30 -66.83 -8.23 27.29 Favored 'General case' 0 C--O 1.261 1.698 0 N-CA-C 114.112 1.152 . . . . 49.23 114.112 -179.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 186' B GLU . . . . . 0.513 ' OE2' ' N ' ' B' ' 185' ' ' LYS . 5.2 mt-10 -92.9 -6.39 48.75 Favored 'General case' 0 C--O 1.27 2.136 0 N-CA-C 120.302 3.445 . . . . 41.28 120.302 -175.409 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 186' C GLY . . . . . . . . . . . . . . . 36.11 60.05 0.9 Allowed Glycine 0 C--O 1.257 1.553 0 N-CA-C 121.916 3.526 . . . . 38.33 121.916 175.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 186' D LYS . . . . . . . . . . . . . 14.0 mttt -158.1 132.48 8.19 Favored 'General case' 0 C--N 1.309 -1.182 1 C-N-CA 134.308 5.043 . . . . 38.81 102.393 175.196 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 187' ' ' ARG . . . . . 0.797 ' NH1' ' OD2' ' B' ' 221' ' ' ASP . 0.0 OUTLIER -124.96 -170.47 2.17 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 128.42 3.575 . . . . 35.97 113.241 -178.093 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 188' ' ' GLY . . . . . 0.99 ' HA2' ' HB2' ' B' ' 18' ' ' GLU . . . 130.27 151.13 7.08 Favored Glycine 0 N--CA 1.479 1.549 0 N-CA-C 105.724 -2.95 . . . . 31.31 105.724 179.487 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -172.36 167.97 5.62 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 114.899 -2.477 . . . . 35.3 104.954 -177.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 190' ' ' ALA . . . . . . . . . . . . . . . -89.83 150.94 22.02 Favored 'General case' 0 C--N 1.289 -2.063 0 N-CA-C 102.146 -3.279 . . . . 30.07 102.146 178.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 191' ' ' CYS . . . . . . . . . . . . . 22.1 t -138.25 -150.41 0.34 Allowed 'General case' 0 N--CA 1.505 2.286 0 C-N-CA 113.719 -3.193 . . . . 32.39 106.856 -178.753 -168.861 64.028 87.967 104.442 2.019 103.394 -169.67 -72.01 1 1 . 1 . 001 ecloud build full ' B' B ' 192' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' B' ' 143' ' ' ASN . 3.3 tt0 -77.88 146.2 35.78 Favored 'General case' 0 N--CA 1.497 1.889 0 C-N-CA 113.899 -3.12 . . . . 45.47 109.066 -177.672 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 193' ' ' GLY . . . . . . . . . . . . . . . 93.78 5.27 62.99 Favored Glycine 0 N--CA 1.487 2.091 0 O-C-N 127.463 2.977 . . . . 25.44 109.346 -177.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 194' ' ' ASP . . . . . 0.443 ' OD2' ' HA3' ' B' ' 140' ' ' GLY . 69.3 m-20 -101.49 -33.2 10.05 Favored 'General case' 0 C--O 1.282 2.782 0 N-CA-C 117.14 2.274 . . . . 25.06 117.14 -175.748 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 195' ' ' ALA . . . . . 0.819 ' HA ' HG12 ' B' ' 213' ' ' VAL . . . -52.71 141.36 21.22 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 124.374 2.035 . . . . 19.45 111.786 -177.719 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 196' ' ' GLY . . . . . 0.531 ' HA3' ' O ' ' B' ' 43' ' ' GLY . . . 108.79 -38.64 3.23 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 104.556 -3.418 . . . . 19.08 104.556 178.554 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 197' ' ' GLY . . . . . 0.679 ' HA3' ' O ' ' B' ' 427' ' ' HOH . . . -58.89 160.1 16.07 Favored Glycine 0 C--N 1.308 -0.974 1 O-C-N 130.261 4.153 . . . . 18.8 107.353 -180.0 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 198' ' ' PRO . . . . . 0.401 ' HD3' ' HA2' ' B' ' 197' ' ' GLY . 9.7 Cg_endo -97.6 152.69 0.93 Allowed 'Trans proline' 0 N--CA 1.437 -1.844 0 O-C-N 127.008 3.11 . . . . 19.59 118.081 -173.206 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 199' ' ' PHE . . . . . 0.797 ' HD1' HG23 ' B' ' 138' ' ' VAL . 52.6 t80 -111.55 105.27 13.79 Favored 'General case' 0 C--O 1.258 1.525 0 N-CA-C 102.73 -3.063 . . . . 17.44 102.73 172.294 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 200' ' ' VAL . . . . . 0.631 ' CG2' ' HB3' ' B' ' 137' ' ' ARG . 18.7 m -114.7 156.43 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 O-C-N 126.08 2.113 . . . . 17.87 110.12 -176.777 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 201' ' ' MET . . . . . 1.001 ' CE ' ' HG3' ' B' ' 210' ' ' MET . 0.0 OUTLIER -139.48 149.54 44.11 Favored 'General case' 0 C--N 1.301 -1.5 1 O-C-N 130.699 4.999 . . . . 27.87 105.96 176.133 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 202' ' ' LYS . . . . . 0.623 ' HE3' ' OE2' ' A' ' 14' C GLU . 16.7 tttm -111.78 107.24 16.24 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 127.935 3.272 . . . . 19.13 112.541 -177.212 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 203' ' ' SER . . . . . 0.4 ' HA ' ' HD3' ' B' ' 204' ' ' PRO . 10.3 t -59.2 137.52 88.36 Favored Pre-proline 0 N--CA 1.435 -1.217 0 N-CA-C 115.301 1.593 . . . . 20.76 115.301 -179.102 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 204' ' ' PRO . . . . . 0.412 ' HD3' HD21 ' B' ' 129' C LEU . 6.3 Cg_endo -84.59 -3.78 9.98 Favored 'Trans proline' 0 C--O 1.246 0.919 0 N-CA-C 105.697 -2.463 . . . . 21.75 105.697 179.963 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 204' A PHE . . . . . . . . . . . . . 91.7 m-85 -86.53 -39.98 15.7 Favored 'General case' 0 C--O 1.254 1.338 0 O-C-N 117.324 -3.36 . . . . 21.85 114.491 -179.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 204' B ASN . . . . . 0.663 ' O ' ' CB ' ' B' ' 205' ' ' ASN . 34.4 p30 -130.04 -6.8 4.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 120.906 1.684 . . . . 20.57 108.922 -175.721 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 205' ' ' ASN . . . . . 0.663 ' CB ' ' O ' ' B' ' 204' B ASN 0.26 2.1 t30 72.18 20.98 4.05 Favored 'General case' 0 N--CA 1.502 2.175 1 C-N-CA 111.355 -4.138 . . . . 24.3 113.201 176.515 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 206' ' ' ARG . . . . . 0.649 ' NH2' ' O ' ' A' ' 1' B ALA . 30.5 mtt180 -98.43 152.65 19.28 Favored 'General case' 0 C--N 1.307 -1.266 0 C-N-CA 126.382 1.873 . . . . 40.13 112.545 178.857 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 207' ' ' TRP . . . . . 0.446 ' H ' ' CA ' ' A' ' 2' ' ' GLY . 38.0 m95 -93.73 135.14 35.33 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 117.635 -3.166 . . . . 21.44 106.822 177.157 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 208' ' ' TYR . . . . . 0.72 ' HB2' ' HE2' ' B' ' 210' ' ' MET . 79.4 m-85 -113.56 144.21 43.25 Favored 'General case' 0 C--O 1.248 1.004 0 O-C-N 126.57 2.419 . . . . 29.86 104.966 178.543 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 209' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -91.18 102.27 15.0 Favored 'General case' 0 C--O 1.258 1.535 0 O-C-N 128.682 3.739 . . . . 23.86 108.745 177.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 210' ' ' MET . . . . . 1.001 ' HG3' ' CE ' ' B' ' 201' ' ' MET . 17.9 mmt -90.63 -10.69 42.32 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-O 115.518 -2.182 . . . . 26.18 115.919 -175.322 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 211' ' ' GLY . . . . . 0.592 ' HA2' ' O ' ' B' ' 229' ' ' THR . . . -165.19 171.3 40.49 Favored Glycine 0 N--CA 1.478 1.441 0 O-C-N 124.706 1.254 . . . . 21.94 111.77 179.813 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 24.5 mt -121.53 126.32 74.66 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 120.813 -1.404 . . . . 19.22 109.431 177.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 213' ' ' VAL . . . . . 0.819 HG12 ' HA ' ' B' ' 195' ' ' ALA . 10.7 t -54.43 110.33 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 CA-C-N 119.726 1.148 . . . . 22.38 110.223 178.509 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 47.9 t -110.07 -72.52 0.72 Allowed 'General case' 0 C--O 1.257 1.462 0 N-CA-C 119.033 2.975 . . . . 21.87 119.033 -175.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 215' ' ' TRP . . . . . 0.439 ' CD2' ' HE2' ' C' ' 310' ' ' PHE . 61.5 p-90 -157.88 -179.2 7.92 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 116.588 -2.045 . . . . 25.44 114.364 -175.83 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 216' ' ' GLY . . . . . . . . . . . . . . . 174.29 175.83 42.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 125.459 1.724 . . . . 27.46 112.734 178.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 217' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -104.79 108.19 19.54 Favored 'General case' 0 C--O 1.25 1.099 0 N-CA-C 105.438 -2.06 . . . . 36.45 105.438 176.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 219' ' ' GLY . . . . . 0.554 ' HA3' ' NE ' ' B' ' 221' A ARG . . . 77.55 -151.89 38.57 Favored Glycine 0 N--CA 1.488 2.102 0 C-N-CA 117.953 -2.07 . . . . 32.35 109.989 179.021 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 220' ' ' CYS . . . . . 0.613 ' HB2' ' HB2' ' B' ' 146' ' ' GLU . 68.3 m -161.13 123.97 3.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 118.874 -0.584 . . . . 32.78 110.216 -178.946 -72.01 -169.67 87.967 103.394 2.019 104.442 64.028 -168.861 2 2 . 1 . 001 ecloud build full ' B' B ' 221' ' ' ASP . . . . . 0.797 ' OD2' ' NH1' ' B' ' 187' ' ' ARG . 26.4 t0 59.04 45.8 14.27 Favored 'General case' 0 C--O 1.258 1.54 0 CA-C-O 116.688 -1.625 . . . . 35.94 109.347 179.226 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 221' A ARG . . . . . 0.554 ' NE ' ' HA3' ' B' ' 219' ' ' GLY . 20.2 mtt180 -101.45 125.98 48.17 Favored 'General case' 0 C--N 1.312 -1.035 0 O-C-N 128.234 3.459 . . . . 41.58 111.025 179.835 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 222' ' ' ASP . . . . . 0.514 ' OD2' ' NH2' ' B' ' 187' ' ' ARG . 70.5 m-20 -49.97 137.91 16.23 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 115.505 -2.188 . . . . 37.11 106.16 176.941 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 223' ' ' GLY . . . . . . . . . . . . . . . 75.69 -7.26 27.57 Favored Glycine 0 C--O 1.266 2.101 0 C-N-CA 117.996 -2.05 . . . . 29.91 113.184 179.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 224' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -113.27 152.05 30.32 Favored 'General case' 0 C--O 1.266 1.932 0 N-CA-C 115.897 1.814 . . . . 30.95 115.897 177.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 225' ' ' TYR . . . . . 0.492 ' O ' ' CD1' ' B' ' 227' ' ' PHE . 83.6 m-85 -124.12 131.43 53.54 Favored 'General case' 0 C--O 1.26 1.614 0 N-CA-C 121.397 3.851 . . . . 33.28 121.397 179.243 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 226' ' ' GLY . . . . . . . . . . . . . . . -63.48 136.02 42.09 Favored Glycine 0 N--CA 1.497 2.711 0 N-CA-C 107.387 -2.285 . . . . 28.01 107.387 177.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 227' ' ' PHE . . . . . 0.691 ' HE2' ' O ' ' B' ' 478' ' ' HOH . 33.8 m-85 -105.94 142.45 35.62 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 118.659 1.229 . . . . 24.05 109.539 177.976 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 228' ' ' TYR . . . . . 0.536 ' CE2' HG21 ' B' ' 138' ' ' VAL . 10.9 m-85 -133.38 147.58 51.8 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 126.78 2.032 . . . . 23.41 112.827 -178.99 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 229' ' ' THR . . . . . 0.592 ' O ' ' HA2' ' B' ' 211' ' ' GLY . 93.5 m -76.15 135.44 39.79 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 125.205 1.402 . . . . 23.98 107.44 -179.212 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 230' ' ' HIS . . . . . 0.641 ' HB3' ' HB2' ' B' ' 233' ' ' ARG . 21.6 t-80 -81.77 100.26 9.44 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-O 115.696 -2.097 . . . . 26.42 107.289 -177.283 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 231' ' ' VAL . . . . . . . . . . . . . 1.5 t -63.99 -42.48 95.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 1 O-C-N 131.005 5.191 . . . . 28.52 111.111 -174.258 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 232' ' ' PHE . . . . . 0.512 ' CZ ' ' HA ' ' B' ' 126' ' ' ARG . 7.5 t80 -55.99 -61.66 2.23 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 128.739 3.774 . . . . 31.02 108.965 -177.438 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 233' ' ' ARG . . . . . 0.715 ' NH1' ' HB3' ' B' ' 178' ' ' ASP . 0.9 OUTLIER -43.26 -44.92 5.6 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 111.07 -2.786 . . . . 44.8 111.232 -179.456 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 234' ' ' LEU . . . . . 0.467 HD21 ' HG2' ' B' ' 101' ' ' ARG . 1.7 mt -94.09 22.29 5.97 Favored 'General case' 0 C--O 1.264 1.84 0 C-N-CA 116.343 -2.143 . . . . 30.39 113.811 -179.14 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 235' ' ' LYS . . . . . 1.355 ' CE ' ' HA2' ' A' ' 1' F GLY . 78.0 tttt -66.83 -38.81 87.15 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 116.907 2.188 . . . . 31.19 116.907 -179.92 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 236' ' ' LYS . . . . . 0.428 ' HD2' ' HA ' ' B' ' 236' ' ' LYS . 0.0 OUTLIER -48.27 -47.55 36.15 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 119.918 -1.739 . . . . 50.0 108.438 178.918 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 237' ' ' TRP . . . . . 0.482 ' O ' ' C ' ' B' ' 238' ' ' ILE . 76.1 t90 -67.5 -53.08 31.75 Favored 'General case' 0 C--O 1.266 1.97 0 O-C-N 124.843 1.339 . . . . 29.75 109.636 178.734 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 238' ' ' ILE . . . . . 0.747 HG23 HD11 ' B' ' 105' ' ' LEU . 24.0 mt -45.52 -42.01 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 116.936 -1.905 . . . . 29.08 108.1 -178.941 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 239' ' ' GLN . . . . . 0.638 ' OE1' ' HE2' ' B' ' 235' ' ' LYS . 7.5 mt-30 -70.58 -37.77 73.97 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 113.193 -1.821 . . . . 41.34 111.157 -175.825 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 240' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -60.62 -64.84 0.81 Allowed 'General case' 0 C--O 1.263 1.764 0 CA-C-O 117.021 -1.466 . . . . 41.81 107.635 -178.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -56.25 -34.09 39.01 Favored 'Isoleucine or valine' 0 C--O 1.265 1.911 0 O-C-N 126.947 2.654 . . . . 35.86 114.787 -178.642 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 242' ' ' ILE . . . . . 0.739 ' CD1' HG23 ' A' ' 1' H THR . 3.5 mt -64.71 -55.16 22.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 119.034 0.833 . . . . 39.9 112.336 -177.907 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 19.8 p30 -89.24 36.44 0.83 Allowed 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 126.161 2.886 . . . . 45.12 109.129 -177.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 244' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -127.96 -50.22 1.34 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 111.716 -2.493 . . . . 50.0 104.867 -179.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 245' ' ' PHE . . . . . 0.416 ' HB3' ' OH ' ' B' ' 89' ' ' TYR . 35.3 m-85 -115.82 9.66 15.13 Favored 'General case' 0 C--O 1.286 3.018 0 O-C-N 127.396 2.935 . . . . 50.0 118.869 -174.361 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 246' ' ' GLY . . . . . 0.862 ' O ' ' HB3' ' B' ' 247' ' ' GLU . . . -179.18 -178.45 48.3 Favored Glycine 0 N--CA 1.468 0.774 0 CA-C-O 123.52 1.622 . . . . 50.0 116.388 177.082 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 247' ' ' GLU . . . . . 0.862 ' HB3' ' O ' ' B' ' 246' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--O 1.287 3.057 0 CA-C-O 114.239 -2.791 . . . . 50.0 111.862 177.303 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 308' ' ' ACE . . . . . 0.415 ' H2 ' ' O ' ' B' ' 616' ' ' HOH . . . . . . . . 0 C--O 1.237 0.442 . . . . . . . . 35.21 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 309' ' ' ASP . . . . . 0.936 ' HB3' ' HB3' ' C' ' 312' ' ' ALA 0.284 0.1 OUTLIER 134.98 97.48 0.0 OUTLIER 'General case' 0 N--CA 1.412 -2.335 1 O-C-N 113.143 -5.973 . . . . 33.62 119.98 . . . . . . . . . 5 4 . 1 . 001 ecloud build full ' C' C ' 310' ' ' PHE . . . . . 0.749 ' CD1' ' HA3' ' C' ' 315' ' ' GLY . 64.1 t80 -60.38 -57.55 12.3 Favored 'General case' 0 C--O 1.265 1.896 1 CA-C-N 106.52 -4.855 . . . . 35.16 104.611 176.471 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 311' ' ' LEU . . . . . 0.883 HD11 ' O ' ' B' ' 628' ' ' HOH . 35.1 mt -51.61 -60.21 3.41 Favored 'General case' 0 C--O 1.249 1.053 0 O-C-N 124.58 1.175 . . . . 29.42 113.015 176.169 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 312' ' ' ALA . . . . . 0.936 ' HB3' ' HB3' ' C' ' 309' ' ' ASP . . . -51.61 -38.98 57.06 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-O 117.023 -1.465 . . . . 29.26 113.584 -179.476 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 313' ' ' GLU . . . . . 1.031 ' OE2' ' HD3' ' B' ' 173' ' ' ARG . 33.1 mm-40 -89.14 6.32 40.55 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 127.743 3.64 . . . . 31.71 113.224 -178.434 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 314' ' ' GLY . . . . . . . . . . . . . . . 95.85 15.36 42.88 Favored Glycine 0 N--CA 1.422 -2.264 0 N-CA-C 120.969 3.148 . . . . 24.69 120.969 176.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 315' ' ' GLY . . . . . 0.749 ' HA3' ' CD1' ' C' ' 310' ' ' PHE . . . -46.13 122.36 6.05 Favored Glycine 0 C--N 1.304 -1.246 0 N-CA-C 119.292 2.477 . . . . 22.36 119.292 -177.606 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 316' ' ' GLY . . . . . 0.523 ' O ' ' C ' ' C' ' 317' ' ' VAL . . . -112.35 75.6 0.22 Allowed Glycine 0 C--O 1.259 1.668 0 O-C-N 119.799 -2.001 . . . . 20.94 114.794 -177.326 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 317' ' ' VAL . . . . . 0.523 ' C ' ' O ' ' C' ' 316' ' ' GLY . 1.1 t -45.08 149.22 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 115.939 -2.304 . . . . 22.62 107.873 177.296 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 318' ' ' ARG . . . . . 0.964 ' OXT' ' NE2' ' B' ' 57' ' ' HIS . 50.1 mtt180 . . . . . 0 C--O 1.254 1.32 1 CA-C-O 111.589 -4.053 . . . . 22.73 109.755 177.208 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 446' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 450' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 458' ' ' HOH . . . . . 0.51 ' O ' ' HB2' ' A' ' 14' C GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 466' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 470' ' ' HOH . . . . . 0.708 ' O ' HG23 ' A' ' 14' K ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 475' ' ' HOH . . . . . 0.933 ' O ' ' HD2' ' A' ' 14' D ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 477' ' ' HOH . . . . . 0.607 ' O ' ' O ' ' A' ' 1' C GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 489' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 491' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 515' ' ' HOH . . . . . 0.797 ' O ' ' HD2' ' A' ' 9' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 400' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 403' ' ' HOH . . . . . 0.602 ' O ' ' HG3' ' B' ' 156' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 407' ' ' HOH . . . . . 0.554 ' O ' ' HA ' ' B' ' 172' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 409' ' ' HOH . . . . . 0.681 ' O ' ' O ' ' B' ' 115' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 412' ' ' HOH . . . . . 0.624 ' O ' ' HA ' ' A' ' 1' A ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 418' ' ' HOH . . . . . 0.573 ' O ' ' HG3' ' B' ' 126' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 419' ' ' HOH . . . . . 0.503 ' O ' ' C ' ' B' ' 60' G ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 421' ' ' HOH . . . . . 0.756 ' O ' ' HA3' ' A' ' 1' F GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 423' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 426' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 427' ' ' HOH . . . . . 0.679 ' O ' ' HA3' ' B' ' 197' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 429' ' ' HOH . . . . . 0.614 ' O ' ' HE2' ' B' ' 145' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 430' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 431' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 432' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 433' ' ' HOH . . . . . 1.158 ' O ' ' HE2' ' B' ' 89' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 434' ' ' HOH . . . . . 0.62 ' O ' ' CE1' ' B' ' 230' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 435' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 436' ' ' HOH . . . . . 0.912 ' O ' ' CD1' ' B' ' 41' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 437' ' ' HOH . . . . . 0.929 ' O ' HD12 ' B' ' 118' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 438' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 440' ' ' HOH . . . . . 0.72 ' O ' ' O ' ' B' ' 110' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 441' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 442' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 443' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 444' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 445' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 448' ' ' HOH . . . . . 0.697 ' O ' ' HG2' ' B' ' 180' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 451' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 452' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 453' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 454' ' ' HOH . . . . . 0.716 ' O ' ' HB ' ' B' ' 147' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 455' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 456' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 457' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 459' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 460' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 461' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 463' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 465' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 467' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 468' ' ' HOH . . . . . 0.543 ' O ' ' N ' ' B' ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 469' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 471' ' ' HOH . . . . . 0.554 ' O ' ' ND2' ' B' ' 60' G ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 473' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 474' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 476' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 478' ' ' HOH . . . . . 0.791 ' O ' HG13 ' B' ' 176' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 479' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 480' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 481' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 482' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 483' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 484' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 485' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 486' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 487' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 488' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 490' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 492' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 493' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 495' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 497' ' ' HOH . . . . . 0.46 ' O ' ' HB3' ' B' ' 131' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 498' ' ' HOH . . . . . 0.456 ' O ' ' NH1' ' B' ' 206' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 499' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 500' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 513' ' ' HOH . . . . . 0.94 ' O ' ' HB2' ' B' ' 97' A GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 600' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 601' ' ' HOH . . . . . 0.989 ' O ' ' HB2' ' B' ' 78' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 603' ' ' HOH . . . . . 0.797 ' O ' ' O ' ' B' ' 78' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 607' ' ' HOH . . . . . 0.967 ' O ' ' HD3' ' B' ' 50' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 614' ' ' HOH . . . . . 0.491 ' O ' ' HA ' ' B' ' 166' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 616' ' ' HOH . . . . . 0.415 ' O ' ' H2 ' ' C' ' 308' ' ' ACE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 620' ' ' HOH . . . . . 0.705 ' O ' ' OH ' ' B' ' 117' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 625' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 626' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 627' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 628' ' ' HOH . . . . . 0.883 ' O ' HD11 ' C' ' 311' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 629' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 630' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 631' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 632' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 633' ' ' HOH . . . . . 0.538 ' O ' ' HG3' ' B' ' 97' A GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 634' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 635' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 636' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 637' ' ' HOH . . . . . 0.905 ' O ' ' CD2' ' B' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 447' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 462' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 494' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 496' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' H THR . . . . . 1.052 HG22 ' N ' ' A' ' 1' G PHE . 1.1 m . . . . . 0 C--O 1.212 -0.904 0 CA-C-O 122.531 1.158 . . . . 50.0 108.898 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' G PHE . . . . . 1.166 ' CD1' ' N ' ' A' ' 1' F GLY 0.353 39.8 p90 -92.9 -117.64 0.09 Allowed 'General case' 0 C--N 1.293 -1.885 2 CA-C-O 129.265 4.365 . . . . 50.0 118.207 -177.589 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 1' F GLY . . . . . 1.355 ' HA2' ' CE ' ' B' ' 235' ' ' LYS . . . -41.05 81.12 0.0 OUTLIER Glycine 0 N--CA 1.414 -2.829 1 C-N-CA 136.138 6.59 . . . . 50.0 116.196 179.264 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 1' E SER . . . . . 0.875 ' HA ' ' O ' ' B' ' 123' ' ' LEU . 0.6 OUTLIER 78.67 28.71 0.43 Allowed 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 103.453 -2.795 . . . . 50.0 103.453 -177.943 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 1' D GLY . . . . . 0.714 ' N ' ' O ' ' A' ' 1' G PHE . . . 41.56 -149.8 0.27 Allowed Glycine 0 N--CA 1.419 -2.498 0 N-CA-C 122.292 3.677 . . . . 50.0 122.292 176.909 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 1' C GLU . . . . . 1.103 ' HB2' ' HB3' ' A' ' 1' ' ' CYS . 2.1 mm-40 -34.92 -71.45 0.07 Allowed 'General case' 0 N--CA 1.412 -2.373 2 C-N-CA 139.525 7.13 . . . . 50.0 124.997 -176.781 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 1' B ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 1' C GLU . . . 154.49 -41.04 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 123.67 1.7 . . . . 44.81 110.263 179.998 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 1' A ASP . . . . . 0.624 ' HA ' ' O ' ' B' ' 412' ' ' HOH . 17.2 t0 -128.76 10.61 6.05 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 112.685 -2.052 . . . . 48.82 106.998 -179.621 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' CYS . . . . . 1.103 ' HB3' ' HB2' ' A' ' 1' C GLU . 21.2 p -61.06 147.4 43.89 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 113.119 -1.855 . . . . 30.51 107.456 -179.546 55.321 82.539 88.274 104.407 2.035 105.206 -63.218 -51.065 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.446 ' CA ' ' H ' ' B' ' 207' ' ' TRP . . . 94.54 -25.4 23.12 Favored Glycine 0 N--CA 1.481 1.7 0 CA-C-O 116.654 -2.192 . . . . 26.54 110.526 177.921 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.5 mt -101.26 107.91 19.42 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-N 121.162 2.481 . . . . 24.01 108.471 -178.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.471 ' NH2' ' OE1' ' A' ' 8' ' ' GLU . 46.4 mtm180 -81.72 134.23 50.9 Favored Pre-proline 0 N--CA 1.477 0.894 0 CA-C-O 117.405 -1.283 . . . . 29.59 109.258 -175.125 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.464 ' HG2' ' HA ' ' B' ' 116' ' ' ASP . 3.1 Cg_exo -49.43 -52.69 8.32 Favored 'Trans proline' 0 N--CA 1.451 -1.02 0 CA-C-O 114.144 -2.523 . . . . 22.98 110.869 177.607 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.681 ' HA ' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -80.3 2.25 25.4 Favored 'General case' 0 C--O 1.256 1.431 0 N-CA-C 118.172 2.656 . . . . 19.59 118.172 -175.427 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -131.88 -92.75 0.39 Allowed 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 120.775 1.625 . . . . 22.7 114.449 -177.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.471 ' OE1' ' NH2' ' A' ' 4' ' ' ARG . 26.9 mp0 -52.43 -28.6 20.64 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.872 -1.143 . . . . 28.13 111.969 -179.236 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.797 ' HD2' ' O ' ' A' ' 515' ' ' HOH . 0.2 OUTLIER -75.64 -33.43 60.47 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 118.518 0.599 . . . . 30.02 110.063 -176.317 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LYS . . . . . 1.014 ' HG3' ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -110.43 29.8 7.36 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 118.528 -1.269 . . . . 27.16 107.932 -177.907 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.1 m 32.57 56.79 0.4 Allowed 'General case' 0 C--O 1.254 1.29 0 N-CA-C 118.399 2.741 . . . . 31.64 118.399 179.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.014 ' CD1' ' HG3' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -131.59 157.38 43.79 Favored 'General case' 0 C--O 1.268 2.046 1 C-N-CA 133.27 4.628 . . . . 27.4 106.259 175.943 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.641 ' HB3' ' OE1' ' A' ' 14' C GLU . 20.3 mt-10 -126.92 168.18 14.85 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 114.264 1.209 . . . . 35.25 114.264 -176.983 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.278 1.1 p30 -89.32 -176.43 5.08 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 115.954 -2.298 . . . . 26.38 108.414 -175.221 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' A LYS . . . . . 0.705 ' HG2' ' OE2' ' B' ' 23' ' ' GLU . 0.3 OUTLIER -67.24 -14.61 63.08 Favored 'General case' 0 C--O 1.259 1.573 0 O-C-N 126.157 2.161 . . . . 33.97 114.069 -174.594 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 14' B THR . . . . . 0.573 ' CG2' ' C ' ' A' ' 14' A LYS . 4.3 p -152.14 25.11 0.63 Allowed 'General case' 0 CA--C 1.495 -1.173 0 O-C-N 128.225 3.453 . . . . 24.4 116.884 -174.412 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' C GLU . . . . . 0.641 ' OE1' ' HB3' ' A' ' 13' ' ' GLU . 8.1 pt-20 -70.43 -30.51 67.38 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 117.538 -1.665 . . . . 25.02 108.347 179.57 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' D ARG . . . . . 0.933 ' HD2' ' O ' ' A' ' 475' ' ' HOH . 0.9 OUTLIER -59.91 -32.16 70.5 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 124.694 1.246 . . . . 50.0 112.212 -176.737 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 14' E GLU . . . . . . . . . . . . . 12.8 tt0 -60.54 -34.27 73.89 Favored 'General case' 0 C--O 1.251 1.141 0 O-C-N 125.557 1.786 . . . . 29.73 108.763 177.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' F LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 14' C GLU . 1.8 mp -65.55 -58.55 5.52 Favored 'General case' 0 C--O 1.247 0.929 0 O-C-N 120.257 -1.527 . . . . 29.22 108.772 176.133 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' G LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.59 -51.8 19.89 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 114.305 -1.316 . . . . 31.71 107.782 -179.66 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' H GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 14' D ARG . 57.0 mt-10 -62.1 -31.34 71.78 Favored 'General case' 0 C--O 1.266 1.939 0 C-N-CA 119.314 -0.954 . . . . 40.11 111.621 177.54 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' I SER . . . . . 0.75 ' CB ' ' HG3' ' B' ' 135' ' ' LYS . 0.0 OUTLIER -64.96 -29.88 70.84 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 117.829 -1.549 . . . . 32.51 107.554 178.334 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 14' J TYR . . . . . 0.891 ' O ' HD12 ' A' ' 14' K ILE . 0.1 OUTLIER -91.58 1.92 56.81 Favored 'General case' 0 C--O 1.264 1.839 0 CA-C-O 114.499 -2.667 . . . . 36.84 111.683 179.795 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 14' K ILE . . . . . 0.891 HD12 ' O ' ' A' ' 14' J TYR . 0.1 OUTLIER . . . . . 0 C--O 1.201 -1.484 1 CA-C-O 139.077 9.036 . . . . 30.87 115.364 -178.847 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ILE . . . . . 0.653 HD12 HG12 ' B' ' 158' ' ' VAL . 2.2 mm . . . . . 0 CA--C 1.518 -0.263 0 CA-C-O 119.41 -0.329 . . . . 24.78 110.579 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.786 ' O ' ' HA2' ' B' ' 188' ' ' GLY . 98.8 t -114.34 126.95 71.98 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 C-N-CA 127.592 2.357 . . . . 28.33 108.454 179.219 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.99 ' HB2' ' HA2' ' B' ' 188' ' ' GLY . 29.5 mm-40 70.57 25.6 4.17 Favored 'General case' 0 C--O 1.251 1.14 0 N-CA-C 114.808 1.41 . . . . 44.66 114.808 177.385 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.86 -161.82 16.48 Favored Glycine 0 N--CA 1.501 2.977 0 CA-C-O 114.334 -3.481 . . . . 32.79 107.501 179.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 89.0 p -143.25 174.25 10.88 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 114.587 -2.625 . . . . 40.25 108.948 179.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -59.89 130.39 46.54 Favored 'General case' 0 C--N 1.317 -0.827 1 O-C-N 129.66 4.35 . . . . 29.32 110.358 -178.141 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.48 178.29 0.58 Allowed 'General case' 0 N--CA 1.477 0.921 0 O-C-N 126.861 2.601 . . . . 27.93 104.667 177.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.705 ' OE2' ' HG2' ' A' ' 14' A LYS . 25.1 mt-10 -119.24 136.8 54.04 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 128.735 3.772 . . . . 35.72 106.905 178.164 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 32.8 mm -49.61 137.02 6.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 120.19 1.359 . . . . 25.49 110.978 -176.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.64 14.28 54.27 Favored Glycine 0 C--O 1.238 0.402 0 N-CA-C 116.952 1.541 . . . . 24.4 116.952 178.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' MET . . . . . 0.578 ' SD ' HG21 ' B' ' 157' ' ' VAL . 4.7 ttm -81.44 -26.1 35.6 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-O 113.165 -3.303 . . . . 25.4 107.68 -179.498 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.36 61.89 34.51 Favored Pre-proline 0 N--CA 1.495 1.794 0 O-C-N 127.724 3.14 . . . . 22.82 111.402 -179.505 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -56.72 -11.0 6.09 Favored 'Trans proline' 0 N--CA 1.438 -1.751 0 CA-C-O 113.117 -2.951 . . . . 21.97 117.493 -175.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' TRP . . . . . 0.557 ' O ' ' HA ' ' B' ' 45' ' ' SER . 2.1 p90 -104.51 -0.75 27.49 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 125.601 1.813 . . . . 19.92 108.063 -178.076 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -63.89 110.67 2.18 Favored 'General case' 0 C--O 1.27 2.149 0 CA-C-O 116.424 -1.75 . . . . 17.28 108.561 179.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.776 HG22 HG23 ' B' ' 68' ' ' ILE . 2.6 t -113.46 144.86 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 CA-C-O 111.763 -3.97 . . . . 18.03 107.638 -179.178 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' MET . . . . . 0.545 ' HE2' ' CE3' ' B' ' 141' ' ' TRP . 7.3 ttm -105.94 123.5 48.08 Favored 'General case' 0 C--N 1.296 -1.721 0 C-N-CA 128.993 2.917 . . . . 18.16 111.527 -178.114 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.715 HD21 HD23 ' B' ' 64' ' ' LEU . 0.0 OUTLIER -89.67 113.18 24.62 Favored 'General case' 0 N--CA 1.517 2.922 0 N-CA-C 106.109 -1.811 . . . . 25.54 106.109 -177.422 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -110.41 142.63 41.85 Favored 'General case' 0 C--N 1.313 -1.017 0 O-C-N 125.651 1.844 . . . . 27.18 115.423 -173.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.735 ' O ' ' HA ' ' B' ' 38' ' ' GLN . 44.4 ttt180 -89.99 126.78 35.87 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 112.025 -2.352 . . . . 46.27 111.151 179.492 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' B' ' 63' ' ' ASP . 9.8 mttt -63.45 -48.71 76.6 Favored 'General case' 0 C--O 1.269 2.112 0 CA-C-N 110.587 -3.006 . . . . 33.84 115.036 -178.626 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 36' A SER . . . . . 0.438 ' HA ' ' C ' ' B' ' 37' ' ' PRO . 3.4 t -171.85 116.67 0.42 Allowed Pre-proline 0 C--N 1.302 -1.48 0 N-CA-C 103.944 -2.613 . . . . 40.91 103.944 179.08 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.653 ' O ' ' HG2' ' B' ' 39' ' ' GLU . 1.9 Cg_endo -64.12 127.35 6.2 Favored 'Cis proline' 0 C--O 1.258 1.48 0 O-C-N 123.817 1.43 . . . . 39.42 109.302 1.796 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.735 ' HA ' ' O ' ' B' ' 35' ' ' ARG . 19.1 mt-30 -57.21 99.03 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 115.246 -2.311 . . . . 44.07 106.297 177.988 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.686 ' OE1' ' NH1' ' B' ' 35' ' ' ARG . 2.5 pt-20 -140.39 157.14 45.99 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 126.721 2.513 . . . . 39.0 109.278 -179.869 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.905 ' CD2' ' O ' ' B' ' 637' ' ' HOH . 0.1 OUTLIER -89.64 134.61 34.06 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-O 113.128 -3.32 . . . . 31.16 102.226 177.566 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.912 ' CD1' ' O ' ' B' ' 436' ' ' HOH 0.439 1.0 OUTLIER -117.71 -22.53 7.98 Favored 'General case' 0 N--CA 1.508 2.438 2 O-C-N 129.416 4.198 . . . . 28.55 111.89 -176.965 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' CYS . . . . . 0.467 ' HB3' ' O ' ' B' ' 195' ' ' ALA . 59.8 m -169.28 -163.34 0.4 Allowed 'General case' 0 CA--C 1.55 0.961 0 O-C-N 125.607 1.817 . . . . 25.92 107.65 178.896 -74.152 -168.534 -100.3 102.067 2.057 104.745 -78.848 -79.207 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.531 ' O ' ' HA3' ' B' ' 196' ' ' GLY . . . -133.6 170.5 22.35 Favored Glycine 0 C--O 1.246 0.855 0 CA-C-O 115.091 -3.061 . . . . 23.13 106.984 -179.283 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' B' ' 53' ' ' LEU . . . -167.07 -176.19 3.27 Favored 'General case' 0 N--CA 1.493 1.684 1 CA-C-O 111.378 -4.153 . . . . 21.74 104.337 -176.428 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' SER . . . . . 0.557 ' HA ' ' O ' ' B' ' 29' ' ' TRP . 30.6 p -135.95 160.65 37.94 Favored 'General case' 0 C--O 1.274 2.391 0 O-C-N 127.415 2.947 . . . . 26.56 108.712 176.837 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.894 HD22 ' O ' ' B' ' 48' ' ' SER . 0.0 OUTLIER -97.43 124.8 41.74 Favored 'General case' 0 C--O 1.264 1.857 0 C-N-CA 125.78 1.632 . . . . 20.6 108.782 177.663 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.543 HG21 HD21 ' B' ' 123' ' ' LEU 0.262 14.7 pt -112.51 -13.63 11.23 Favored 'Isoleucine or valine' 0 C--O 1.247 0.968 0 O-C-N 121.193 -0.942 . . . . 18.64 112.294 -179.843 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' SER . . . . . 0.894 ' O ' HD22 ' B' ' 46' ' ' LEU . 0.1 OUTLIER -148.99 -159.95 1.11 Allowed 'General case' 0 C--O 1.265 1.886 0 C-N-CA 126.134 1.774 . . . . 24.04 106.291 175.404 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' ASP . . . . . 0.653 ' O ' HG12 ' B' ' 112' ' ' VAL . 27.1 p-10 -93.82 -9.09 38.59 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 116.712 -1.995 . . . . 36.2 110.337 176.997 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.967 ' HD3' ' O ' ' B' ' 607' ' ' HOH . 7.1 mtp180 -131.77 12.78 4.86 Favored 'General case' 0 C--O 1.264 1.845 0 C-N-CA 127.852 2.461 . . . . 43.58 116.249 178.362 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' TRP . . . . . 0.55 ' CH2' ' CE1' ' B' ' 89' ' ' TYR . 71.2 m95 -129.58 133.86 47.42 Favored 'General case' 0 C--N 1.295 -1.797 0 CA-C-N 123.971 3.078 . . . . 28.54 106.329 -179.084 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . 0.329 4.7 t -127.82 137.6 57.14 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.728 0 O-C-N 127.378 2.924 . . . . 23.27 106.544 178.529 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.531 ' O ' ' HB1' ' B' ' 44' ' ' ALA . 21.7 tp -102.05 140.11 36.77 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 128.201 2.6 . . . . 20.2 108.839 179.781 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 6.9 t -157.68 -179.01 7.75 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 114.947 -1.024 . . . . 22.28 108.961 179.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.55 137.79 32.0 Favored 'General case' 0 C--O 1.272 2.247 0 CA-C-O 124.841 2.258 . . . . 23.59 111.026 176.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.36 -38.33 74.02 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 118.765 -2.46 . . . . 24.22 110.001 -177.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' HIS . . . . . 0.964 ' NE2' ' OXT' ' C' ' 318' ' ' ARG . 0.2 OUTLIER -67.54 -4.98 13.18 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 112.269 -2.241 . . . . 22.84 111.056 -177.28 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 26.4 m -80.03 -36.32 35.95 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 122.895 1.331 . . . . 21.23 107.437 178.804 -79.207 -78.848 -100.3 104.745 2.057 102.067 -168.534 -74.152 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.491 HD13 HG23 ' B' ' 88' ' ' ILE . 1.8 mt -96.13 -48.44 5.66 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 115.212 -2.328 . . . . 21.22 108.924 -178.852 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.83 113.12 13.68 Favored 'General case' 0 C--O 1.254 1.325 0 CA-C-N 121.791 2.087 . . . . 24.44 114.333 178.544 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' A TYR . . . . . 0.755 ' CZ ' ' HG2' ' B' ' 60' C PRO . 44.6 t80 -143.5 92.42 6.59 Favored Pre-proline 0 C--O 1.256 1.421 0 O-C-N 126.197 2.186 . . . . 29.38 108.589 178.756 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' B PRO . . . . . 0.857 ' HG2' ' CE2' ' B' ' 96' ' ' TRP 0.273 5.7 Cg_exo -46.54 -59.34 1.26 Allowed 'Trans proline' 0 C--O 1.278 2.516 0 N-CA-C 119.035 2.667 . . . . 27.21 119.035 -177.209 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 60' C PRO . . . . . 0.755 ' HG2' ' CZ ' ' B' ' 60' A TYR . 6.3 Cg_exo -43.69 -4.36 0.02 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.264 1.976 . . . . 30.29 113.423 -177.488 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' D TRP . . . . . 0.625 ' N ' ' O ' ' B' ' 60' B PRO . 29.5 m0 -122.87 1.89 9.36 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 124.911 1.382 . . . . 31.97 107.819 -177.88 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' E ASP . . . . . 0.492 ' N ' ' O ' ' B' ' 60' B PRO . 13.0 m-20 60.75 33.4 20.15 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 127.809 3.193 . . . . 47.27 108.46 -175.983 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' F LYS . . . . . 0.55 ' O ' ' HB2' ' B' ' 60' G ASN . 5.3 mtmt -88.52 139.27 30.65 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 127.26 2.85 . . . . 35.84 106.072 179.639 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' G ASN . . . . . 0.554 ' ND2' ' O ' ' B' ' 471' ' ' HOH . 34.5 t-20 -178.31 71.7 0.02 OUTLIER 'General case' 0 C--N 1.308 -1.231 0 O-C-N 126.426 2.329 . . . . 43.71 107.463 177.539 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' H PHE . . . . . 0.605 ' HB3' ' OD1' ' B' ' 63' ' ' ASP . 4.6 m-85 -90.78 159.39 16.33 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 122.608 1.194 . . . . 36.33 109.103 -177.355 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' I THR . . . . . 0.796 HG22 ' HB2' ' B' ' 62' ' ' ASN . 1.3 m -109.33 154.0 23.12 Favored 'General case' 0 C--N 1.289 -2.024 0 C-N-CA 130.768 3.627 . . . . 40.25 109.347 179.272 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.552 ' OE1' ' N ' ' B' ' 88' ' ' ILE . 1.6 pm0 -52.76 4.21 0.01 OUTLIER 'General case' 0 C--O 1.253 1.287 0 CA-C-N 113.912 -1.495 . . . . 39.45 111.004 179.182 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ASN . . . . . 0.796 ' HB2' HG22 ' B' ' 60' I THR . 1.7 m-80 -103.01 -37.42 7.78 Favored 'General case' 0 C--O 1.256 1.407 0 N-CA-C 120.053 3.353 . . . . 45.5 120.053 -175.5 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.633 ' HB2' HD12 ' B' ' 64' ' ' LEU . 0.8 OUTLIER -73.35 -7.0 49.75 Favored 'General case' 0 C--N 1.313 -1.001 0 O-C-N 126.02 2.075 . . . . 40.27 108.083 -177.655 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.715 HD23 HD21 ' B' ' 33' ' ' LEU . 10.4 mp -122.72 163.82 19.43 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 120.238 3.421 . . . . 33.23 120.238 -169.692 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.646 HD11 ' CE ' ' B' ' 84' ' ' MET 0.336 1.3 tp -144.59 144.46 31.3 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 128.022 3.326 . . . . 30.35 111.012 178.999 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -108.02 137.94 36.99 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.227 0 CA-C-O 113.446 -3.169 . . . . 24.68 103.372 174.843 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ARG . . . . . 0.521 ' NE ' ' OE2' ' B' ' 80' ' ' GLU . 29.7 mtp180 -108.06 123.92 49.42 Favored 'General case' 0 C--O 1.27 2.157 0 N-CA-C 104.859 -2.274 . . . . 23.07 104.859 177.953 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.776 HG23 HG22 ' B' ' 31' ' ' VAL . 1.9 mt -118.84 143.61 29.42 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 CA-C-N 121.374 1.897 . . . . 21.77 113.609 -177.735 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' GLY . . . . . 0.691 ' O ' HD11 ' B' ' 79' ' ' ILE . . . 89.19 21.82 40.31 Favored Glycine 0 CA--C 1.484 -1.882 0 C-N-CA 128.865 3.126 . . . . 20.62 116.03 177.847 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.469 ' HE3' ' O ' ' B' ' 72' ' ' SER . 16.2 mtpp -87.68 161.44 17.65 Favored 'General case' 0 C--N 1.286 -2.176 1 CA-C-N 124.801 4.3 . . . . 20.09 121.101 -175.885 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -127.6 -54.05 1.34 Allowed 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 129.154 2.982 . . . . 24.24 107.906 177.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' SER . . . . . 0.469 ' O ' ' HE3' ' B' ' 70' ' ' LYS . 1.9 t -75.77 148.32 38.57 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 118.103 -1.439 . . . . 25.74 107.756 -177.993 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . 0.276 14.0 ttp-105 -82.37 -19.24 39.6 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 105.591 -2.003 . . . . 24.65 105.591 -178.626 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' THR . . . . . 0.525 HG22 ' N ' ' B' ' 75' ' ' ARG 0.251 0.8 OUTLIER -126.85 -56.15 1.37 Allowed 'General case' 0 CA--C 1.478 -1.82 3 N-CA-C 123.99 4.811 . . . . 28.35 123.99 -171.044 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ARG . . . . . 0.525 ' N ' HG22 ' B' ' 74' ' ' THR . 0.0 OUTLIER -51.29 149.98 3.69 Favored 'General case' 0 C--O 1.255 1.384 0 CA-C-N 120.233 1.379 . . . . 45.78 112.865 -179.286 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -88.98 109.49 20.31 Favored 'General case' 0 CA--C 1.564 1.518 0 N-CA-C 100.47 -3.9 . . . . 27.29 100.47 172.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -85.72 84.95 7.44 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 127.732 3.145 . . . . 32.45 111.528 -178.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' A ARG . . . . . . . . . . . . 0.373 2.4 mtp180 -29.14 -81.07 0.01 OUTLIER 'General case' 0 C--O 1.305 3.988 1 C-N-CA 131.719 4.008 . . . . 26.47 118.576 -176.276 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' ASN . . . . . 0.989 ' HB2' ' O ' ' B' ' 601' ' ' HOH 0.311 20.9 m120 -88.59 -4.41 58.59 Favored 'General case' 0 N--CA 1.512 2.64 1 CA-C-N 126.557 4.253 . . . . 25.56 107.95 -178.746 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.691 HD11 ' O ' ' B' ' 69' ' ' GLY 0.52 0.1 OUTLIER -83.77 -44.13 18.16 Favored 'Isoleucine or valine' 0 C--O 1.284 2.883 0 CA-C-O 113.211 -3.28 . . . . 24.06 117.839 -174.957 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' GLU . . . . . 0.521 ' OE2' ' NE ' ' B' ' 67' ' ' ARG . 2.4 pt-20 -85.31 167.58 15.47 Favored 'General case' 0 N--CA 1.509 2.523 0 CA-C-N 124.686 3.403 . . . . 24.56 114.079 179.847 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' LYS . . . . . 0.631 ' HD2' ' CD1' ' B' ' 118' ' ' ILE . 2.9 mttt -136.16 119.17 16.41 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 116.984 -1.484 . . . . 37.79 107.293 176.316 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 5.0 mm -86.46 130.73 36.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 CA-C-N 120.9 1.682 . . . . 29.7 108.899 178.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.59 150.92 49.5 Favored 'General case' 0 C--O 1.25 1.1 0 N-CA-C 114.178 1.177 . . . . 27.76 114.178 -178.258 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' MET . . . . . 0.646 ' CE ' HD11 ' B' ' 65' ' ' LEU . 15.7 mmt -105.94 155.38 19.42 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 114.532 -2.651 . . . . 38.32 108.812 -177.57 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.71 ' CD1' ' HE3' ' B' ' 106' ' ' MET . 7.9 mt -93.9 132.59 38.18 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 126.947 2.654 . . . . 29.85 116.306 179.29 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.769 ' HB3' ' HG2' ' B' ' 107' ' ' LYS . 0.9 OUTLIER -89.43 -58.84 2.39 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 120.558 -1.339 . . . . 49.66 108.955 178.615 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' LYS . . . . . 0.996 ' HD2' ' CE2' ' B' ' 89' ' ' TYR . 9.3 tmtt? -140.07 156.72 46.46 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 105.164 -2.161 . . . . 37.63 105.164 177.114 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' ILE . . . . . 0.726 ' O ' ' HD3' ' B' ' 87' ' ' LYS 0.256 0.9 OUTLIER -120.8 136.53 57.48 Favored 'Isoleucine or valine' 0 C--O 1.275 2.413 0 O-C-N 127.677 3.111 . . . . 29.95 103.099 178.751 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' TYR . . . . . 1.158 ' HE2' ' O ' ' B' ' 433' ' ' HOH . 39.4 m-85 -129.56 111.34 12.63 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 123.515 2.87 . . . . 34.32 110.197 -179.895 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 1.4 mm -93.4 145.01 8.31 Favored 'Isoleucine or valine' 0 C--O 1.251 1.15 0 O-C-N 124.727 1.267 . . . . 32.58 109.4 179.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -63.03 125.28 86.46 Favored Pre-proline 0 C--O 1.257 1.454 0 CA-C-O 122.8 1.286 . . . . 33.2 110.919 -177.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -52.14 -25.59 23.54 Favored 'Trans proline' 0 C--O 1.256 1.398 0 CA-C-O 116.942 -1.358 . . . . 34.57 110.899 179.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' ARG . . . . . 0.565 ' O ' ' HD2' ' B' ' 101' ' ' ARG . 11.2 mtp180 -126.13 52.38 1.7 Allowed 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 117.422 -1.711 . . . . 50.0 115.225 -179.785 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' TYR . . . . . 0.423 ' HB2' ' O ' ' B' ' 101' ' ' ARG . 0.6 OUTLIER -94.08 119.96 33.66 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 128.908 2.883 . . . . 31.85 104.278 178.738 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' ASN . . . . . 0.733 HD21 ' HB3' ' B' ' 97' A GLU . 29.1 t-20 -106.24 106.17 16.55 Favored 'General case' 0 C--O 1.268 2.034 0 CA-C-O 112.039 -3.838 . . . . 34.87 113.365 -175.501 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' TRP . . . . . 0.857 ' CE2' ' HG2' ' B' ' 60' B PRO . 59.0 p-90 -91.54 -26.05 18.95 Favored 'General case' 0 C--O 1.272 2.287 0 O-C-N 127.713 3.133 . . . . 32.26 116.525 179.442 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' ARG . . . . . 0.536 ' HG3' ' CH2' ' B' ' 96' ' ' TRP . 4.8 mtm-85 -66.88 -37.47 84.47 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 120.477 1.489 . . . . 50.0 113.87 -179.759 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 97' A GLU . . . . . 0.94 ' HB2' ' O ' ' B' ' 513' ' ' HOH . 63.4 tt0 -107.55 -55.69 2.32 Favored 'General case' 0 C--O 1.272 2.275 1 N-CA-C 126.3 5.666 . . . . 46.31 126.3 -173.91 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' B' ' 98' ' ' ASN . 35.3 p-10 -140.31 -5.85 1.23 Allowed 'General case' 0 N--CA 1.516 2.846 0 C-N-CA 115.839 -2.345 . . . . 32.58 111.915 -177.908 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.576 HD13 ' CE2' ' C' ' 310' ' ' PHE . 1.3 mp 72.46 31.85 1.7 Allowed 'General case' 0 C--O 1.258 1.518 0 CA-C-O 124.551 2.12 . . . . 30.77 112.238 178.916 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' B' ' 101' ' ' ARG 0.306 0.0 OUTLIER -74.8 134.91 41.7 Favored 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 127.535 3.54 . . . . 39.77 108.611 177.671 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ARG . . . . . 0.565 ' HD2' ' O ' ' B' ' 93' ' ' ARG . 75.5 mtt85 69.0 51.02 0.56 Allowed 'General case' 0 C--O 1.22 -0.474 0 O-C-N 118.491 -2.63 . . . . 37.24 108.422 178.455 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' ASP . . . . . 0.426 ' O ' HG21 ' B' ' 229' ' ' THR . 46.3 t0 -86.09 89.73 7.91 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 100.736 -3.802 . . . . 23.41 100.736 176.257 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 14.2 tt -159.83 145.88 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 1 O-C-N 130.217 4.698 . . . . 21.0 111.79 -177.998 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -157.74 146.37 19.3 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 124.445 1.098 . . . . 19.41 108.614 179.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' LEU . . . . . 0.747 HD11 HG23 ' B' ' 238' ' ' ILE . 44.7 mt -110.47 154.23 23.94 Favored 'General case' 0 C--O 1.251 1.173 0 N-CA-C 106.237 -1.764 . . . . 23.13 106.237 176.666 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' MET . . . . . 0.71 ' HE3' ' CD1' ' B' ' 85' ' ' LEU . 22.1 mtp -136.54 134.97 38.07 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 103.086 -2.931 . . . . 22.69 103.086 178.212 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' LYS . . . . . 0.769 ' HG2' ' HB3' ' B' ' 86' ' ' GLU . 0.7 OUTLIER -104.2 128.55 51.92 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 105.903 -1.888 . . . . 39.29 105.903 178.308 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 6.0 mt -73.35 137.65 44.88 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 110.24 -3.164 . . . . 23.87 104.075 -177.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.48 -31.61 66.15 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 103.977 -2.601 . . . . 33.0 103.977 176.473 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' LYS . . . . . 0.72 ' O ' ' O ' ' B' ' 440' ' ' HOH . 2.4 mttm -138.86 147.09 52.82 Favored Pre-proline 0 N--CA 1.495 1.804 0 O-C-N 124.949 1.405 . . . . 42.44 111.137 -177.869 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' PRO . . . . . 0.513 ' HA ' ' O ' ' B' ' 49' ' ' ASP . 2.4 Cg_endo -69.88 143.52 50.54 Favored 'Trans proline' 0 C--O 1.247 0.93 0 C-N-CA 122.895 2.396 . . . . 29.89 106.428 -179.263 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.653 HG12 ' O ' ' B' ' 49' ' ' ASP . 2.7 p -88.67 156.18 3.12 Favored 'Isoleucine or valine' 0 C--O 1.254 1.291 1 O-C-N 130.978 5.174 . . . . 31.21 107.725 -179.331 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' ALA . . . . . . . . . . . . . . . -101.74 116.18 32.17 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 106.12 -1.807 . . . . 27.75 106.12 -178.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' B' ' 114' ' ' PHE . 11.8 m-30 -54.1 159.22 1.9 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 127.935 3.272 . . . . 24.28 109.622 -179.509 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' SER . . . . . 0.681 ' O ' ' O ' ' B' ' 409' ' ' HOH . 93.5 p -161.69 -163.28 0.95 Allowed 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.216 -1.031 . . . . 23.78 108.216 179.909 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' ASP . . . . . 0.464 ' HA ' ' HG2' ' A' ' 5' ' ' PRO . 84.2 m-20 -77.92 -9.31 59.02 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-O 114.576 -2.63 . . . . 25.86 107.83 177.029 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' TYR . . . . . 0.705 ' OH ' ' O ' ' B' ' 620' ' ' HOH . 6.9 m-85 -120.22 -9.81 9.48 Favored 'General case' 0 C--N 1.291 -1.938 0 O-C-N 125.072 1.483 . . . . 23.66 112.82 -175.017 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.929 HD12 ' O ' ' B' ' 437' ' ' HOH . 65.2 mt -127.08 111.35 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 C-N-CA 128.524 2.73 . . . . 26.91 115.217 179.748 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' HIS . . . . . 0.461 ' CD2' ' HD2' ' B' ' 120' ' ' PRO . 8.1 t60 -166.23 158.47 12.07 Favored Pre-proline 0 N--CA 1.498 1.952 0 CA-C-O 111.923 -3.894 . . . . 28.78 103.652 178.825 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' PRO . . . . . 0.812 ' HG2' ' HG3' ' A' ' 1' C GLU . 2.0 Cg_endo -94.07 147.94 2.03 Favored 'Trans proline' 0 N--CA 1.449 -1.123 1 O-C-N 131.131 5.28 . . . . 24.86 119.827 -171.913 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.523 ' HB ' ' CG ' ' B' ' 29' ' ' TRP . 14.3 p -84.84 163.41 2.76 Favored 'Isoleucine or valine' 0 C--O 1.256 1.4 0 CA-C-O 115.121 -2.371 . . . . 23.34 110.763 178.068 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' A' ' 1' ' ' CYS . 34.5 m -104.4 151.02 24.0 Favored 'General case' 0 C--O 1.275 2.429 0 CA-C-N 123.874 3.034 . . . . 25.58 108.929 -177.042 -51.065 -63.218 88.274 105.206 2.035 104.407 82.539 55.321 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.875 ' O ' ' HA ' ' A' ' 1' E SER . 7.1 mt -100.52 140.55 21.5 Favored Pre-proline 0 N--CA 1.507 2.42 0 N-CA-C 101.134 -3.654 . . . . 26.58 101.134 178.337 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' PRO . . . . . 0.483 ' HG3' ' SD ' ' B' ' 210' ' ' MET . 1.4 Cg_endo -69.35 155.45 67.27 Favored 'Trans proline' 0 N--CA 1.446 -1.316 1 O-C-N 128.842 4.075 . . . . 29.28 114.548 -174.388 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' ASP . . . . . 0.714 ' HB2' ' OE2' ' B' ' 127' ' ' GLU . 9.7 p30 -104.56 157.01 17.46 Favored 'General case' 0 C--O 1.265 1.918 0 O-C-N 125.789 1.93 . . . . 34.82 106.427 174.395 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.974 ' HB3' ' OE1' ' B' ' 127' ' ' GLU . 28.9 ttt180 -25.74 -62.02 0.07 Allowed 'General case' 0 C--N 1.304 -1.374 0 CA-C-O 127.526 3.536 . . . . 50.0 115.62 -176.473 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' GLU . . . . . 0.974 ' OE1' ' HB3' ' B' ' 126' ' ' ARG . 0.0 OUTLIER -56.79 -42.14 78.93 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 109.699 -3.41 . . . . 47.32 115.614 -179.098 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 1.3 m -71.32 -29.79 65.44 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.796 1.635 . . . . 38.58 109.315 -177.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' B' ' 130' ' ' LEU . . . -59.32 -52.22 66.58 Favored 'General case' 0 C--O 1.247 0.962 0 CA-C-N 110.983 -2.826 . . . . 32.85 107.379 -179.905 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 129' A ALA . . . . . . . . . . . . . . . -63.21 -46.22 88.01 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-O 123.962 1.839 . . . . 29.16 111.021 -178.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' B SER . . . . . 0.762 ' O ' ' NE2' ' B' ' 131' ' ' GLN . 7.2 m -46.15 -66.88 0.34 Allowed 'General case' 0 C--N 1.305 -1.36 0 O-C-N 119.754 -1.841 . . . . 30.21 111.97 -179.782 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 129' C LEU . . . . . 0.412 HD21 ' HD3' ' B' ' 204' ' ' PRO . 48.5 mt -83.92 -38.65 20.8 Favored 'General case' 0 C--O 1.248 1.015 1 O-C-N 130.2 4.687 . . . . 22.82 117.008 -172.331 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' LEU . . . . . 0.825 HD23 ' CD1' ' B' ' 162' ' ' ILE . 17.8 mt -72.97 85.31 1.27 Allowed 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 122.896 2.589 . . . . 21.75 110.129 179.41 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' GLN . . . . . 0.762 ' NE2' ' O ' ' B' ' 129' B SER . 65.6 mt-30 -141.83 134.48 28.42 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 114.526 -1.215 . . . . 31.52 110.815 -178.555 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' B' ' 468' ' ' HOH . . . -46.76 136.3 8.14 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 114.443 -2.903 . . . . 23.7 105.902 179.94 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' GLY . . . . . . . . . . . . . . . 100.79 -32.72 7.09 Favored Glycine 0 C--O 1.259 1.691 0 O-C-N 127.43 2.956 . . . . 24.38 115.809 174.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' TYR . . . . . 0.592 ' HD1' ' N ' ' B' ' 134' ' ' TYR . 1.4 m-30 -67.5 142.97 56.41 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 126.212 1.772 . . . . 24.52 108.518 179.187 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 135' ' ' LYS . . . . . 0.75 ' HG3' ' CB ' ' A' ' 14' I SER . 67.9 mttt -90.74 156.11 18.31 Favored 'General case' 0 CA--C 1.494 -1.209 0 O-C-N 125.198 1.561 . . . . 27.82 114.033 -177.219 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' GLY . . . . . 0.555 ' HA3' ' CZ ' ' B' ' 199' ' ' PHE . . . -129.32 167.1 21.41 Favored Glycine 0 C--O 1.255 1.418 0 CA-C-N 113.565 -1.652 . . . . 23.45 111.08 179.24 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 137' ' ' ARG . . . . . 0.631 ' HB3' ' CG2' ' B' ' 200' ' ' VAL . 0.0 OUTLIER -120.17 124.7 46.38 Favored 'General case' 0 C--O 1.26 1.645 0 N-CA-C 106.282 -1.747 . . . . 21.82 106.282 178.277 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 138' ' ' VAL . . . . . 0.797 HG23 ' HD1' ' B' ' 199' ' ' PHE . 4.2 t -124.8 121.93 62.36 Favored 'Isoleucine or valine' 0 C--O 1.261 1.682 0 N-CA-C 103.261 -2.866 . . . . 21.75 103.261 178.633 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 139' ' ' THR . . . . . 0.871 HG22 HG22 ' B' ' 157' ' ' VAL . 2.6 p -121.64 145.27 48.17 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 126.134 2.146 . . . . 20.48 106.312 179.108 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 140' ' ' GLY . . . . . 0.443 ' HA3' ' OD2' ' B' ' 194' ' ' ASP . . . -167.65 164.41 37.91 Favored Glycine 0 C--O 1.257 1.59 0 CA-C-O 123.7 1.722 . . . . 19.9 112.125 179.723 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 141' ' ' TRP . . . . . 0.545 ' CE3' ' HE2' ' B' ' 32' ' ' MET . 6.2 m-90 -111.39 17.16 20.4 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 113.207 -1.496 . . . . 23.02 106.969 177.91 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -69.68 -177.28 18.05 Favored Glycine 0 C--N 1.302 -1.324 0 C-N-CA 127.869 2.652 . . . . 28.2 114.57 -177.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 143' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' B' ' 192' ' ' GLU 0.25 35.8 m-20 -59.22 151.79 22.2 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-O 123.265 1.507 . . . . 35.55 110.922 -177.745 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 144' ' ' LEU . . . . . 0.576 ' O ' ' HG3' ' B' ' 145' ' ' LYS . 28.2 mt -90.15 -12.91 36.85 Favored 'General case' 0 C--N 1.308 -1.2 0 C-N-CA 127.393 2.277 . . . . 34.93 108.788 179.598 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 145' ' ' LYS . . . . . 0.614 ' HE2' ' O ' ' B' ' 429' ' ' HOH . 0.0 OUTLIER -160.85 147.34 15.06 Favored 'General case' 0 C--O 1.257 1.459 0 O-C-N 125.843 1.964 . . . . 38.75 111.02 175.88 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 146' ' ' GLU . . . . . 0.613 ' HB2' ' HB2' ' B' ' 220' ' ' CYS . 31.8 tt0 -39.49 -47.77 1.91 Allowed 'General case' 0 C--O 1.249 1.048 0 O-C-N 125.052 1.47 . . . . 40.93 110.104 -178.314 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 147' ' ' THR . . . . . 0.716 ' HB ' ' O ' ' B' ' 454' ' ' HOH . 0.3 OUTLIER . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 112.964 -1.925 . . . . 50.0 110.574 177.567 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 107.666 -2.173 . . . . 36.13 107.666 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 151' ' ' GLN . . . . . 0.419 HE21 ' HB3' ' B' ' 151' ' ' GLN 0.359 0.0 OUTLIER -101.31 150.99 37.64 Favored Pre-proline 0 N--CA 1.495 1.801 0 N-CA-C 101.876 -3.379 . . . . 39.07 101.876 179.936 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 152' ' ' PRO . . . . . 0.496 ' HG3' ' O ' ' B' ' 403' ' ' HOH . 4.3 Cg_endo -82.67 177.03 7.24 Favored 'Trans proline' 0 C--N 1.302 -1.884 1 O-C-N 129.142 4.233 . . . . 28.65 107.753 -176.533 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 4.3 t -94.92 -23.43 17.43 Favored 'General case' 0 C--N 1.315 -0.92 0 O-C-N 125.733 1.896 . . . . 30.06 107.227 178.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 154' ' ' VAL . . . . . . . . . . . . . 1.8 t -135.05 153.14 33.85 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 CA-C-O 126.438 3.018 . . . . 25.72 113.255 -177.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 155' ' ' LEU . . . . . . . . . . . . . 11.1 tp -51.62 131.94 30.17 Favored 'General case' 0 C--O 1.262 1.733 0 CA-C-N 111.984 -2.371 . . . . 23.97 108.337 179.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 156' ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' B' ' 403' ' ' HOH . 20.8 mm100 -100.41 154.0 18.88 Favored 'General case' 0 N--CA 1.492 1.673 0 CA-C-N 120.148 1.34 . . . . 27.55 113.761 -178.747 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 157' ' ' VAL . . . . . 0.871 HG22 HG22 ' B' ' 139' ' ' THR . 80.3 t -133.2 144.43 36.34 Favored 'Isoleucine or valine' 0 C--O 1.249 1.03 0 CA-C-O 114.354 -2.736 . . . . 21.26 107.308 178.445 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 158' ' ' VAL . . . . . 0.653 HG12 HD12 ' B' ' 16' ' ' ILE . 3.5 p -150.06 127.79 2.63 Favored 'Isoleucine or valine' 0 C--O 1.256 1.43 0 O-C-N 128.139 3.399 . . . . 19.83 106.608 175.595 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 159' ' ' ASN . . . . . 0.547 ' HA ' ' O ' ' B' ' 136' ' ' GLY . 76.7 m-20 -93.8 126.82 39.2 Favored 'General case' 0 C--O 1.253 1.248 0 CA-C-O 115.187 -2.34 . . . . 20.14 107.034 178.362 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 160' ' ' LEU . . . . . . . . . . . . . 1.1 mt -140.27 155.8 70.14 Favored Pre-proline 0 C--N 1.315 -0.92 0 CA-C-O 114.86 -2.495 . . . . 21.49 108.636 -178.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 161' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' B' ' 135' ' ' LYS . 7.0 Cg_endo -93.32 140.52 1.71 Allowed 'Trans proline' 0 C--O 1.248 0.987 0 C-N-CA 122.463 2.109 . . . . 23.73 115.082 -178.775 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 162' ' ' ILE . . . . . 0.825 ' CD1' HD23 ' B' ' 130' ' ' LEU . 1.9 mt -58.63 148.33 6.48 Favored 'Isoleucine or valine' 0 C--O 1.248 0.987 0 O-C-N 119.78 -1.825 . . . . 28.42 110.205 173.999 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 163' ' ' VAL . . . . . . . . . . . . . 78.5 t -111.85 153.31 13.56 Favored 'Isoleucine or valine' 0 C--O 1.259 1.602 0 CA-C-O 122.708 1.242 . . . . 32.68 110.249 179.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 164' ' ' GLU . . . . . 0.738 ' HB2' HG23 ' B' ' 167' ' ' VAL . 8.9 mp0 -67.92 127.79 34.12 Favored 'General case' 0 C--O 1.258 1.504 0 CA-C-O 115.229 -2.319 . . . . 33.92 113.133 -179.225 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 165' ' ' ARG . . . . . 0.535 ' CB ' ' CD ' ' B' ' 166' ' ' PRO . 0.0 OUTLIER -29.11 -63.28 0.2 Allowed Pre-proline 0 C--O 1.249 1.047 0 C-N-CA 127.513 2.325 . . . . 46.94 116.673 179.103 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 166' ' ' PRO . . . . . 0.535 ' CD ' ' CB ' ' B' ' 165' ' ' ARG . 6.2 Cg_exo -52.34 -48.94 19.22 Favored 'Trans proline' 0 C--O 1.247 0.971 0 CA-C-O 116.916 -1.368 . . . . 35.53 108.882 174.989 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 167' ' ' VAL . . . . . 0.738 HG23 ' HB2' ' B' ' 164' ' ' GLU . 0.4 OUTLIER -58.47 -44.16 88.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 C-N-CA 115.302 -2.559 . . . . 35.83 110.25 -178.102 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 168' ' ' CYS . . . . . 0.603 ' HB3' ' O ' ' B' ' 478' ' ' HOH . 89.4 m -52.42 -51.52 58.71 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 107.834 -1.173 . . . . 34.7 107.834 -177.979 -68.144 -54.541 -103.874 105.729 2.056 98.719 -77.588 87.459 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 169' ' ' LYS . . . . . 0.721 ' NZ ' HG22 ' B' ' 176' ' ' ILE . 17.8 mttp -62.37 -26.54 68.51 Favored 'General case' 0 C--O 1.259 1.59 0 O-C-N 126.626 2.454 . . . . 49.97 115.837 -177.207 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 170' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -84.35 -14.06 50.61 Favored 'General case' 0 C--O 1.255 1.346 0 C-N-CA 126.232 1.813 . . . . 48.26 113.62 -177.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 171' ' ' SER . . . . . . . . . . . . . 9.6 p -90.84 -26.74 19.25 Favored 'General case' 0 C--O 1.263 1.781 0 O-C-N 127.09 2.744 . . . . 37.9 110.241 -177.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 172' ' ' THR . . . . . 0.554 ' HA ' ' O ' ' B' ' 407' ' ' HOH . 6.2 t -130.52 153.4 48.87 Favored 'General case' 0 CA--C 1.501 -0.929 0 O-C-N 126.641 2.463 . . . . 34.13 116.761 -174.588 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 173' ' ' ARG . . . . . 1.031 ' HD3' ' OE2' ' C' ' 313' ' ' GLU . 11.6 mtt180 -87.76 -15.39 37.11 Favored 'General case' 0 C--O 1.247 0.926 0 C-N-CA 127.301 2.24 . . . . 50.0 110.854 -178.641 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 174' ' ' ILE . . . . . 0.591 ' CD1' ' HA ' ' C' ' 310' ' ' PHE . 5.2 mm -66.61 156.16 6.73 Favored 'Isoleucine or valine' 0 C--O 1.26 1.614 0 O-C-N 127.03 2.706 . . . . 32.54 107.646 177.296 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 175' ' ' ARG . . . . . 0.823 ' NH1' ' OE2' ' B' ' 97' A GLU . 0.0 OUTLIER -85.06 68.77 10.66 Favored 'General case' 0 C--N 1.303 -1.436 0 C-N-CA 126.266 1.826 . . . . 37.59 113.935 178.303 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 176' ' ' ILE . . . . . 0.791 HG13 ' O ' ' B' ' 478' ' ' HOH 0.291 0.3 OUTLIER -39.16 128.34 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.285 2.958 0 CA-C-O 116.284 -1.817 . . . . 32.32 109.788 176.125 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 177' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.59 174.33 5.97 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 121.52 1.964 . . . . 32.38 109.34 176.886 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 178' ' ' ASP . . . . . 0.715 ' HB3' ' NH1' ' B' ' 233' ' ' ARG . 7.4 m-20 -60.66 -14.96 23.87 Favored 'General case' 0 C--O 1.253 1.28 0 C-N-CA 129.798 3.239 . . . . 38.53 114.678 178.024 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 179' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -97.39 19.53 13.11 Favored 'General case' 0 C--O 1.254 1.334 0 CA-C-O 112.431 -3.652 . . . . 33.66 114.687 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 180' ' ' MET . . . . . 0.697 ' HG2' ' O ' ' B' ' 448' ' ' HOH . 4.8 mtt -142.62 172.51 12.59 Favored 'General case' 0 C--N 1.289 -2.034 0 CA-C-O 115.46 -2.21 . . . . 25.57 105.843 178.677 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 181' ' ' PHE . . . . . 0.436 ' CE2' ' O ' ' B' ' 210' ' ' MET . 54.0 p90 -154.04 164.77 37.91 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 101.842 -3.392 . . . . 23.89 101.842 179.391 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 182' ' ' CYS . . . . . . . . . . . . 0.28 1.4 p -129.02 149.99 50.61 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 127.423 2.952 . . . . 27.32 109.148 -179.624 87.459 -77.588 -103.874 98.719 2.056 105.729 -54.541 -68.144 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 183' ' ' ALA . . . . . . . . . . . . . . . -150.53 160.83 43.51 Favored 'General case' 0 C--O 1.256 1.4 0 C-N-CA 117.61 -1.636 . . . . 25.97 108.587 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 184' ' ' GLY . . . . . . . . . . . . . . . 134.05 168.86 11.9 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 129.05 3.214 . . . . 27.78 109.589 -177.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 184' A TYR . . . . . . . . . . . . . 90.9 m-85 -71.97 164.38 26.21 Favored 'General case' 0 C--O 1.261 1.678 0 O-C-N 121.066 -1.255 . . . . 32.6 112.635 -178.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 185' ' ' LYS . . . . . 0.712 ' HB3' ' HD2' ' B' ' 186' ' ' PRO . 6.3 mttt -93.72 163.4 24.33 Favored Pre-proline 0 C--O 1.253 1.268 0 N-CA-C 104.594 -2.373 . . . . 42.67 104.594 174.84 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 186' ' ' PRO . . . . . 0.712 ' HD2' ' HB3' ' B' ' 185' ' ' LYS . 2.6 Cg_endo -56.33 -47.08 26.01 Favored 'Trans proline' 0 C--O 1.269 2.026 0 O-C-N 124.939 2.021 . . . . 40.88 111.109 -178.306 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 186' A ASP . . . . . . . . . . . . . 1.5 p30 -66.83 -8.23 27.29 Favored 'General case' 0 C--O 1.261 1.698 0 N-CA-C 114.112 1.152 . . . . 49.23 114.112 -179.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 186' B GLU . . . . . 0.513 ' OE2' ' N ' ' B' ' 185' ' ' LYS . 5.2 mt-10 -92.9 -6.39 48.75 Favored 'General case' 0 C--O 1.27 2.136 0 N-CA-C 120.302 3.445 . . . . 41.28 120.302 -175.409 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 186' C GLY . . . . . . . . . . . . . . . 36.11 60.05 0.9 Allowed Glycine 0 C--O 1.257 1.553 0 N-CA-C 121.916 3.526 . . . . 38.33 121.916 175.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 186' D LYS . . . . . . . . . . . . . 14.0 mttt -158.1 132.48 8.19 Favored 'General case' 0 C--N 1.309 -1.182 1 C-N-CA 134.308 5.043 . . . . 38.81 102.393 175.196 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 187' ' ' ARG . . . . . 0.797 ' NH1' ' OD2' ' B' ' 221' ' ' ASP . 0.0 OUTLIER -124.96 -170.47 2.17 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 128.42 3.575 . . . . 35.97 113.241 -178.093 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 188' ' ' GLY . . . . . 0.99 ' HA2' ' HB2' ' B' ' 18' ' ' GLU . . . 130.27 151.13 7.08 Favored Glycine 0 N--CA 1.479 1.549 0 N-CA-C 105.724 -2.95 . . . . 31.31 105.724 179.487 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -172.36 167.97 5.62 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 114.899 -2.477 . . . . 35.3 104.954 -177.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 190' ' ' ALA . . . . . . . . . . . . . . . -89.83 150.94 22.02 Favored 'General case' 0 C--N 1.289 -2.063 0 N-CA-C 102.146 -3.279 . . . . 30.07 102.146 178.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 191' ' ' CYS . . . . . . . . . . . . . 22.1 t -138.25 -150.41 0.34 Allowed 'General case' 0 N--CA 1.505 2.286 0 C-N-CA 113.719 -3.193 . . . . 32.39 106.856 -178.753 -168.861 64.028 87.967 104.442 2.019 103.394 -169.67 -72.01 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 192' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' B' ' 143' ' ' ASN . 3.3 tt0 -77.88 146.2 35.78 Favored 'General case' 0 N--CA 1.497 1.889 0 C-N-CA 113.899 -3.12 . . . . 45.47 109.066 -177.672 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 193' ' ' GLY . . . . . . . . . . . . . . . 93.78 5.27 62.99 Favored Glycine 0 N--CA 1.487 2.091 0 O-C-N 127.463 2.977 . . . . 25.44 109.346 -177.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 194' ' ' ASP . . . . . 0.443 ' OD2' ' HA3' ' B' ' 140' ' ' GLY . 69.3 m-20 -101.49 -33.2 10.05 Favored 'General case' 0 C--O 1.282 2.782 0 N-CA-C 117.14 2.274 . . . . 25.06 117.14 -175.748 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 195' ' ' ALA . . . . . 0.819 ' HA ' HG12 ' B' ' 213' ' ' VAL . . . -52.71 141.36 21.22 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 124.374 2.035 . . . . 19.45 111.786 -177.719 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 196' ' ' GLY . . . . . 0.531 ' HA3' ' O ' ' B' ' 43' ' ' GLY . . . 108.79 -38.64 3.23 Favored Glycine 0 N--CA 1.489 2.172 0 N-CA-C 104.556 -3.418 . . . . 19.08 104.556 178.554 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 197' ' ' GLY . . . . . 0.679 ' HA3' ' O ' ' B' ' 427' ' ' HOH . . . -58.89 160.1 16.07 Favored Glycine 0 C--N 1.308 -0.974 1 O-C-N 130.261 4.153 . . . . 18.8 107.353 -180.0 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 198' ' ' PRO . . . . . 0.401 ' HD3' ' HA2' ' B' ' 197' ' ' GLY . 9.7 Cg_endo -97.6 152.69 0.93 Allowed 'Trans proline' 0 N--CA 1.437 -1.844 0 O-C-N 127.008 3.11 . . . . 19.59 118.081 -173.206 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 199' ' ' PHE . . . . . 0.797 ' HD1' HG23 ' B' ' 138' ' ' VAL . 52.6 t80 -111.55 105.27 13.79 Favored 'General case' 0 C--O 1.258 1.525 0 N-CA-C 102.73 -3.063 . . . . 17.44 102.73 172.294 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 200' ' ' VAL . . . . . 0.631 ' CG2' ' HB3' ' B' ' 137' ' ' ARG . 18.7 m -114.7 156.43 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 O-C-N 126.08 2.113 . . . . 17.87 110.12 -176.777 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' MET . . . . . 1.001 ' CE ' ' HG3' ' B' ' 210' ' ' MET . 0.0 OUTLIER -139.48 149.54 44.11 Favored 'General case' 0 C--N 1.301 -1.5 1 O-C-N 130.699 4.999 . . . . 27.87 105.96 176.133 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' LYS . . . . . 0.623 ' HE3' ' OE2' ' A' ' 14' C GLU . 16.7 tttm -111.78 107.24 16.24 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 127.935 3.272 . . . . 19.13 112.541 -177.212 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' SER . . . . . 0.514 ' HB3' HD21 ' B' ' 204' B ASN . 10.3 t -59.2 137.52 88.36 Favored Pre-proline 0 N--CA 1.435 -1.217 0 N-CA-C 115.301 1.593 . . . . 20.76 115.301 -179.102 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' PRO . . . . . 0.412 ' HD3' HD21 ' B' ' 129' C LEU . 6.3 Cg_endo -84.59 -3.78 9.98 Favored 'Trans proline' 0 C--O 1.246 0.919 0 N-CA-C 105.697 -2.463 . . . . 21.75 105.697 179.963 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 204' A PHE . . . . . . . . . . . . . 91.7 m-85 -86.53 -39.98 15.7 Favored 'General case' 0 C--O 1.254 1.338 0 O-C-N 117.324 -3.36 . . . . 21.85 114.491 -179.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 204' B ASN . . . . . 0.892 HD22 ' N ' ' B' ' 205' ' ' ASN . 0.1 OUTLIER -130.04 -6.8 4.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 120.906 1.684 . . . . 20.57 108.922 -175.721 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' ASN . . . . . 0.892 ' N ' HD22 ' B' ' 204' B ASN 0.26 2.1 t30 72.18 20.98 4.05 Favored 'General case' 0 N--CA 1.502 2.175 1 C-N-CA 111.355 -4.138 . . . . 24.3 113.201 176.515 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' ARG . . . . . 0.649 ' NH2' ' O ' ' A' ' 1' B ALA . 30.5 mtt180 -98.43 152.65 19.28 Favored 'General case' 0 C--N 1.307 -1.266 0 C-N-CA 126.382 1.873 . . . . 40.13 112.545 178.857 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' TRP . . . . . 0.446 ' H ' ' CA ' ' A' ' 2' ' ' GLY . 38.0 m95 -93.73 135.14 35.33 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 117.635 -3.166 . . . . 21.44 106.822 177.157 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' TYR . . . . . 0.72 ' HB2' ' HE2' ' B' ' 210' ' ' MET . 79.4 m-85 -113.56 144.21 43.25 Favored 'General case' 0 C--O 1.248 1.004 0 O-C-N 126.57 2.419 . . . . 29.86 104.966 178.543 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -91.18 102.27 15.0 Favored 'General case' 0 C--O 1.258 1.535 0 O-C-N 128.682 3.739 . . . . 23.86 108.745 177.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' MET . . . . . 1.001 ' HG3' ' CE ' ' B' ' 201' ' ' MET . 17.9 mmt -90.63 -10.69 42.32 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-O 115.518 -2.182 . . . . 26.18 115.919 -175.322 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' GLY . . . . . 0.592 ' HA2' ' O ' ' B' ' 229' ' ' THR . . . -165.19 171.3 40.49 Favored Glycine 0 N--CA 1.478 1.441 0 O-C-N 124.706 1.254 . . . . 21.94 111.77 179.813 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' ILE . . . . . . . . . . . . . 24.5 mt -121.53 126.32 74.66 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 120.813 -1.404 . . . . 19.22 109.431 177.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' VAL . . . . . 0.819 HG12 ' HA ' ' B' ' 195' ' ' ALA . 10.7 t -54.43 110.33 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 CA-C-N 119.726 1.148 . . . . 22.38 110.223 178.509 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' SER . . . . . . . . . . . . . 47.9 t -110.07 -72.52 0.72 Allowed 'General case' 0 C--O 1.257 1.462 0 N-CA-C 119.033 2.975 . . . . 21.87 119.033 -175.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' TRP . . . . . 0.439 ' CD2' ' HE2' ' C' ' 310' ' ' PHE . 61.5 p-90 -157.88 -179.2 7.92 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 116.588 -2.045 . . . . 25.44 114.364 -175.83 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' GLY . . . . . . . . . . . . . . . 174.29 175.83 42.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 125.459 1.724 . . . . 27.46 112.734 178.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -104.79 108.19 19.54 Favored 'General case' 0 C--O 1.25 1.099 0 N-CA-C 105.438 -2.06 . . . . 36.45 105.438 176.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' GLY . . . . . 0.554 ' HA3' ' NE ' ' B' ' 221' A ARG . . . 77.55 -151.89 38.57 Favored Glycine 0 N--CA 1.488 2.102 0 C-N-CA 117.953 -2.07 . . . . 32.35 109.989 179.021 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' CYS . . . . . 0.613 ' HB2' ' HB2' ' B' ' 146' ' ' GLU . 68.3 m -161.13 123.97 3.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 118.874 -0.584 . . . . 32.78 110.216 -178.946 -72.01 -169.67 87.967 103.394 2.019 104.442 64.028 -168.861 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' ASP . . . . . 0.797 ' OD2' ' NH1' ' B' ' 187' ' ' ARG . 26.4 t0 59.04 45.8 14.27 Favored 'General case' 0 C--O 1.258 1.54 0 CA-C-O 116.688 -1.625 . . . . 35.94 109.347 179.226 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 221' A ARG . . . . . 0.554 ' NE ' ' HA3' ' B' ' 219' ' ' GLY . 20.2 mtt180 -101.45 125.98 48.17 Favored 'General case' 0 C--N 1.312 -1.035 0 O-C-N 128.234 3.459 . . . . 41.58 111.025 179.835 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 222' ' ' ASP . . . . . 0.514 ' OD2' ' NH2' ' B' ' 187' ' ' ARG . 70.5 m-20 -49.97 137.91 16.23 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 115.505 -2.188 . . . . 37.11 106.16 176.941 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 223' ' ' GLY . . . . . . . . . . . . . . . 75.69 -7.26 27.57 Favored Glycine 0 C--O 1.266 2.101 0 C-N-CA 117.996 -2.05 . . . . 29.91 113.184 179.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 224' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -113.27 152.05 30.32 Favored 'General case' 0 C--O 1.266 1.932 0 N-CA-C 115.897 1.814 . . . . 30.95 115.897 177.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 225' ' ' TYR . . . . . 0.492 ' O ' ' CD1' ' B' ' 227' ' ' PHE . 83.6 m-85 -124.12 131.43 53.54 Favored 'General case' 0 C--O 1.26 1.614 0 N-CA-C 121.397 3.851 . . . . 33.28 121.397 179.243 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 226' ' ' GLY . . . . . . . . . . . . . . . -63.48 136.02 42.09 Favored Glycine 0 N--CA 1.497 2.711 0 N-CA-C 107.387 -2.285 . . . . 28.01 107.387 177.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 227' ' ' PHE . . . . . 0.691 ' HE2' ' O ' ' B' ' 478' ' ' HOH . 33.8 m-85 -105.94 142.45 35.62 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 118.659 1.229 . . . . 24.05 109.539 177.976 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 228' ' ' TYR . . . . . 0.536 ' CE2' HG21 ' B' ' 138' ' ' VAL . 10.9 m-85 -133.38 147.58 51.8 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 126.78 2.032 . . . . 23.41 112.827 -178.99 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 229' ' ' THR . . . . . 0.592 ' O ' ' HA2' ' B' ' 211' ' ' GLY . 93.5 m -76.15 135.44 39.79 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 125.205 1.402 . . . . 23.98 107.44 -179.212 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 230' ' ' HIS . . . . . 0.641 ' HB3' ' HB2' ' B' ' 233' ' ' ARG . 21.6 t-80 -81.77 100.26 9.44 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-O 115.696 -2.097 . . . . 26.42 107.289 -177.283 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 231' ' ' VAL . . . . . . . . . . . . . 1.5 t -63.99 -42.48 95.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 1 O-C-N 131.005 5.191 . . . . 28.52 111.111 -174.258 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 232' ' ' PHE . . . . . 0.512 ' CZ ' ' HA ' ' B' ' 126' ' ' ARG . 7.5 t80 -55.99 -61.66 2.23 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 128.739 3.774 . . . . 31.02 108.965 -177.438 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 233' ' ' ARG . . . . . 0.715 ' NH1' ' HB3' ' B' ' 178' ' ' ASP . 0.9 OUTLIER -43.26 -44.92 5.6 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 111.07 -2.786 . . . . 44.8 111.232 -179.456 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 234' ' ' LEU . . . . . 0.467 HD21 ' HG2' ' B' ' 101' ' ' ARG . 1.7 mt -94.09 22.29 5.97 Favored 'General case' 0 C--O 1.264 1.84 0 C-N-CA 116.343 -2.143 . . . . 30.39 113.811 -179.14 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 235' ' ' LYS . . . . . 1.355 ' CE ' ' HA2' ' A' ' 1' F GLY . 78.0 tttt -66.83 -38.81 87.15 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 116.907 2.188 . . . . 31.19 116.907 -179.92 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 236' ' ' LYS . . . . . 0.428 ' HD2' ' HA ' ' B' ' 236' ' ' LYS . 0.0 OUTLIER -48.27 -47.55 36.15 Favored 'General case' 0 C--N 1.319 -0.718 0 O-C-N 119.918 -1.739 . . . . 50.0 108.438 178.918 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 237' ' ' TRP . . . . . 0.482 ' O ' ' C ' ' B' ' 238' ' ' ILE . 76.1 t90 -67.5 -53.08 31.75 Favored 'General case' 0 C--O 1.266 1.97 0 O-C-N 124.843 1.339 . . . . 29.75 109.636 178.734 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 238' ' ' ILE . . . . . 0.747 HG23 HD11 ' B' ' 105' ' ' LEU . 24.0 mt -45.52 -42.01 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 116.936 -1.905 . . . . 29.08 108.1 -178.941 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 239' ' ' GLN . . . . . 0.638 ' OE1' ' HE2' ' B' ' 235' ' ' LYS . 7.5 mt-30 -70.58 -37.77 73.97 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 113.193 -1.821 . . . . 41.34 111.157 -175.825 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 240' ' ' LYS . . . . . . . . . . . . . 18.1 tttm -60.62 -64.84 0.81 Allowed 'General case' 0 C--O 1.263 1.764 0 CA-C-O 117.021 -1.466 . . . . 41.81 107.635 -178.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 241' ' ' VAL . . . . . 0.402 ' HA ' HE21 ' B' ' 244' ' ' GLN . 0.2 OUTLIER -56.25 -34.09 39.01 Favored 'Isoleucine or valine' 0 C--O 1.265 1.911 0 O-C-N 126.947 2.654 . . . . 35.86 114.787 -178.642 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 242' ' ' ILE . . . . . 0.739 ' CD1' HG23 ' A' ' 1' H THR . 3.5 mt -64.71 -55.16 22.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 119.034 0.833 . . . . 39.9 112.336 -177.907 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 243' ' ' ASP . . . . . . . . . . . . . 19.8 p30 -89.24 36.44 0.83 Allowed 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 126.161 2.886 . . . . 45.12 109.129 -177.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 244' ' ' GLN . . . . . 0.437 ' NE2' ' CE1' ' B' ' 245' ' ' PHE . 9.4 tt0 -127.96 -50.22 1.34 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 111.716 -2.493 . . . . 50.0 104.867 -179.838 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 245' ' ' PHE . . . . . 0.437 ' CE1' ' NE2' ' B' ' 244' ' ' GLN . 35.3 m-85 -115.82 9.66 15.13 Favored 'General case' 0 C--O 1.286 3.018 0 O-C-N 127.396 2.935 . . . . 50.0 118.869 -174.361 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 246' ' ' GLY . . . . . 0.862 ' O ' ' HB3' ' B' ' 247' ' ' GLU . . . -179.18 -178.45 48.3 Favored Glycine 0 N--CA 1.468 0.774 0 CA-C-O 123.52 1.622 . . . . 50.0 116.388 177.082 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 247' ' ' GLU . . . . . 0.862 ' HB3' ' O ' ' B' ' 246' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--O 1.287 3.057 0 CA-C-O 114.239 -2.791 . . . . 50.0 111.862 177.303 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 308' ' ' ACE . . . . . 0.415 ' H2 ' ' O ' ' B' ' 616' ' ' HOH . . . . . . . . 0 C--O 1.237 0.442 . . . . . . . . 35.21 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 309' ' ' ASP . . . . . 0.936 ' HB3' ' HB3' ' C' ' 312' ' ' ALA 0.284 0.1 OUTLIER 134.98 97.48 0.0 OUTLIER 'General case' 0 N--CA 1.412 -2.335 1 O-C-N 113.143 -5.973 . . . . 33.62 119.98 . . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' C' C ' 310' ' ' PHE . . . . . 0.749 ' CD1' ' HA3' ' C' ' 315' ' ' GLY . 64.1 t80 -60.38 -57.55 12.3 Favored 'General case' 0 C--O 1.265 1.896 1 CA-C-N 106.52 -4.855 . . . . 35.16 104.611 176.471 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 311' ' ' LEU . . . . . 0.883 HD11 ' O ' ' B' ' 628' ' ' HOH . 35.1 mt -51.61 -60.21 3.41 Favored 'General case' 0 C--O 1.249 1.053 0 O-C-N 124.58 1.175 . . . . 29.42 113.015 176.169 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 312' ' ' ALA . . . . . 0.936 ' HB3' ' HB3' ' C' ' 309' ' ' ASP . . . -51.61 -38.98 57.06 Favored 'General case' 0 C--O 1.245 0.836 0 CA-C-O 117.023 -1.465 . . . . 29.26 113.584 -179.476 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 313' ' ' GLU . . . . . 1.031 ' OE2' ' HD3' ' B' ' 173' ' ' ARG . 33.1 mm-40 -89.14 6.32 40.55 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 127.743 3.64 . . . . 31.71 113.224 -178.434 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 314' ' ' GLY . . . . . . . . . . . . . . . 95.85 15.36 42.88 Favored Glycine 0 N--CA 1.422 -2.264 0 N-CA-C 120.969 3.148 . . . . 24.69 120.969 176.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 315' ' ' GLY . . . . . 0.749 ' HA3' ' CD1' ' C' ' 310' ' ' PHE . . . -46.13 122.36 6.05 Favored Glycine 0 C--N 1.304 -1.246 0 N-CA-C 119.292 2.477 . . . . 22.36 119.292 -177.606 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 316' ' ' GLY . . . . . 0.523 ' O ' ' C ' ' C' ' 317' ' ' VAL . . . -112.35 75.6 0.22 Allowed Glycine 0 C--O 1.259 1.668 0 O-C-N 119.799 -2.001 . . . . 20.94 114.794 -177.326 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 317' ' ' VAL . . . . . 0.523 ' C ' ' O ' ' C' ' 316' ' ' GLY . 1.1 t -45.08 149.22 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 C-N-CA 115.939 -2.304 . . . . 22.62 107.873 177.296 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 318' ' ' ARG . . . . . 0.964 ' OXT' ' NE2' ' B' ' 57' ' ' HIS . 50.1 mtt180 . . . . . 0 C--O 1.254 1.32 1 CA-C-O 111.589 -4.053 . . . . 22.73 109.755 177.208 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 446' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 450' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 458' ' ' HOH . . . . . 0.51 ' O ' ' HB2' ' A' ' 14' C GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 466' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 470' ' ' HOH . . . . . 0.708 ' O ' HG23 ' A' ' 14' K ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 475' ' ' HOH . . . . . 0.933 ' O ' ' HD2' ' A' ' 14' D ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 477' ' ' HOH . . . . . 0.607 ' O ' ' O ' ' A' ' 1' C GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 489' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 491' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 515' ' ' HOH . . . . . 0.797 ' O ' ' HD2' ' A' ' 9' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 400' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 403' ' ' HOH . . . . . 0.602 ' O ' ' HG3' ' B' ' 156' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 407' ' ' HOH . . . . . 0.554 ' O ' ' HA ' ' B' ' 172' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 409' ' ' HOH . . . . . 0.681 ' O ' ' O ' ' B' ' 115' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 412' ' ' HOH . . . . . 0.624 ' O ' ' HA ' ' A' ' 1' A ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 413' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 415' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 416' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 417' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 418' ' ' HOH . . . . . 0.573 ' O ' ' HG3' ' B' ' 126' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 419' ' ' HOH . . . . . 0.503 ' O ' ' C ' ' B' ' 60' G ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 420' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 421' ' ' HOH . . . . . 0.756 ' O ' ' HA3' ' A' ' 1' F GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 423' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 424' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 426' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 427' ' ' HOH . . . . . 0.679 ' O ' ' HA3' ' B' ' 197' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 429' ' ' HOH . . . . . 0.614 ' O ' ' HE2' ' B' ' 145' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 430' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 431' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 432' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 433' ' ' HOH . . . . . 1.158 ' O ' ' HE2' ' B' ' 89' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 434' ' ' HOH . . . . . 0.62 ' O ' ' CE1' ' B' ' 230' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 435' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 436' ' ' HOH . . . . . 0.912 ' O ' ' CD1' ' B' ' 41' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 437' ' ' HOH . . . . . 0.929 ' O ' HD12 ' B' ' 118' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 438' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 440' ' ' HOH . . . . . 0.72 ' O ' ' O ' ' B' ' 110' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 441' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 442' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 443' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 444' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 445' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 448' ' ' HOH . . . . . 0.697 ' O ' ' HG2' ' B' ' 180' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 451' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 452' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 453' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 454' ' ' HOH . . . . . 0.716 ' O ' ' HB ' ' B' ' 147' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 455' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 456' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 457' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 459' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 460' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 461' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 463' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 465' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 467' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 468' ' ' HOH . . . . . 0.543 ' O ' ' N ' ' B' ' 132' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 469' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 471' ' ' HOH . . . . . 0.554 ' O ' ' ND2' ' B' ' 60' G ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 473' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 474' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 476' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 478' ' ' HOH . . . . . 0.791 ' O ' HG13 ' B' ' 176' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 479' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 480' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 481' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 482' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 483' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 484' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 485' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 486' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 487' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 488' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 490' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 492' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 493' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 495' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 497' ' ' HOH . . . . . 0.46 ' O ' ' HB3' ' B' ' 131' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 498' ' ' HOH . . . . . 0.456 ' O ' ' NH1' ' B' ' 206' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 499' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 500' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 513' ' ' HOH . . . . . 0.94 ' O ' ' HB2' ' B' ' 97' A GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 600' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 601' ' ' HOH . . . . . 0.989 ' O ' ' HB2' ' B' ' 78' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 603' ' ' HOH . . . . . 0.797 ' O ' ' O ' ' B' ' 78' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 607' ' ' HOH . . . . . 0.967 ' O ' ' HD3' ' B' ' 50' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 614' ' ' HOH . . . . . 0.491 ' O ' ' HA ' ' B' ' 166' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 616' ' ' HOH . . . . . 0.415 ' O ' ' H2 ' ' C' ' 308' ' ' ACE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 620' ' ' HOH . . . . . 0.705 ' O ' ' OH ' ' B' ' 117' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 621' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 622' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 623' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 625' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 626' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 627' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 628' ' ' HOH . . . . . 0.883 ' O ' HD11 ' C' ' 311' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 629' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 630' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 631' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 632' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 633' ' ' HOH . . . . . 0.538 ' O ' ' HG3' ' B' ' 97' A GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 634' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 635' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 636' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 637' ' ' HOH . . . . . 0.905 ' O ' ' CD2' ' B' ' 40' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 402' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 414' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 422' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 447' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 462' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 494' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 496' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_