data_5ejw_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 5ejw _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 ' -11' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.512 2.645 0 N-CA-C 113.717 1.006 . . . . 32.73 113.717 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -101.58 154.18 19.08 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 106.19 -1.781 . . . . 26.61 106.19 173.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 47.7 t -76.19 153.59 36.01 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 115.305 1.594 . . . . 24.54 115.305 -177.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 25.6 t -57.75 143.8 40.59 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 107.524 -1.288 . . . . 19.13 107.524 158.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . -90.13 -1.78 75.31 Favored Glycine 0 C--O 1.188 -2.769 0 N-CA-C 111.264 -0.734 . . . . 19.95 111.264 171.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -6' ' ' LEU . . . . . . . . . . . . . 85.9 mt -82.37 116.88 22.05 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 114.169 1.174 . . . . 23.22 114.169 172.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -5' ' ' VAL . . . . . . . . . . . . . 93.4 t -57.06 126.55 73.67 Favored Pre-proline 0 N--CA 1.437 -1.121 0 N-CA-C 109.515 -0.55 . . . . 20.33 109.515 172.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -55.54 128.67 31.38 Favored 'Trans proline' 0 CA--C 1.556 1.609 0 C-N-CA 120.963 1.109 . . . . 28.16 113.307 176.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -3' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -73.05 -30.03 63.41 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.237 0.541 . . . . 29.42 111.508 -172.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -82.95 4.58 79.72 Favored Glycine 0 C--O 1.204 -1.73 0 N-CA-C 115.768 1.067 . . . . 35.69 115.768 173.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 19.4 p -75.21 130.32 38.96 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 119.665 1.732 . . . . 49.86 109.931 176.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -91.24 132.91 35.82 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 106.674 -1.602 . . . . 50.47 106.674 175.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.3 ttm -142.59 126.25 16.94 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 106.648 -1.612 . . . . 50.98 106.648 170.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.07 134.07 56.7 Favored 'General case' 0 C--O 1.208 -1.079 0 CA-C-N 115.059 -0.973 . . . . 46.39 109.881 -171.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.7 mt 46.27 49.91 12.5 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 114.342 1.238 . . . . 18.2 114.342 178.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.1 m -143.63 150.87 39.39 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 122.048 0.928 . . . . 13.26 112.88 -172.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.67 155.24 44.89 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-O 123.28 1.514 . . . . 11.07 111.214 168.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 81.7 mt -68.25 132.17 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.33 0 CA-C-N 113.375 -1.738 . . . . 12.19 108.362 171.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.21 157.84 16.91 Favored Glycine 0 N--CA 1.476 1.326 0 N-CA-C 110.95 -0.86 . . . . 10.8 110.95 166.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -96.1 142.03 28.78 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.662 0.268 . . . . 15.38 111.676 171.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -145.7 139.64 26.68 Favored 'General case' 0 C--O 1.252 1.198 0 N-CA-C 106.563 -1.643 . . . . 12.25 106.563 177.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.1 t -82.18 134.3 27.32 Favored 'Isoleucine or valine' 0 C--O 1.275 2.402 0 O-C-N 124.664 1.227 . . . . 13.32 108.462 177.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -131.35 149.34 52.59 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 125.164 1.54 . . . . 11.96 111.256 -177.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.07 139.06 37.07 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 118.656 -1.218 . . . . 12.13 109.271 -176.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.5 t -116.73 142.77 29.0 Favored 'Isoleucine or valine' 0 C--O 1.253 1.261 0 CA-C-N 113.331 -1.759 . . . . 15.04 109.254 -176.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -98.43 -46.67 5.68 Favored 'General case' 0 N--CA 1.415 -2.193 0 CA-C-N 113.203 -1.817 . . . . 37.25 107.161 -179.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.8 p -166.54 169.1 14.07 Favored 'General case' 0 N--CA 1.428 -1.536 0 C-N-CA 118.957 -1.097 . . . . 15.15 110.442 -177.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.0 mt -114.74 131.94 65.42 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.127 0 N-CA-C 105.962 -1.866 . . . . 16.18 105.962 173.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -107.51 -30.03 8.87 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 112.787 0.662 . . . . 39.29 112.787 -165.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -156.52 170.08 23.16 Favored 'General case' 0 N--CA 1.426 -1.628 0 CA-C-O 121.699 0.761 . . . . 32.62 110.283 -175.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -137.23 150.79 48.1 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-N 113.524 -1.671 . . . . 30.9 112.299 -179.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -150.64 164.2 36.67 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 112.628 0.603 . . . . 21.51 112.628 171.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.7 t -110.31 125.67 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 C-N-CA 119.504 -0.879 . . . . 35.54 108.857 163.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.6 ttp85 -122.94 122.35 38.36 Favored 'General case' 0 C--O 1.254 1.312 0 N-CA-C 106.839 -1.541 . . . . 53.52 106.839 174.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 82.0 mttt 51.76 -138.33 1.09 Allowed 'General case' 0 C--O 1.236 0.347 0 N-CA-C 107.488 -1.301 . . . . 75.93 107.488 -177.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.54 -35.18 10.57 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 119.145 -1.502 . . . . 55.26 114.489 178.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -121.29 149.26 43.16 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 118.82 2.896 . . . . 74.52 118.82 -143.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.8 t -80.56 134.7 26.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 114.226 -1.352 . . . . 32.61 110.413 174.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -133.09 145.37 50.68 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 125.309 1.631 . . . . 21.46 109.785 179.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' TYR . . . . . 0.54 ' OH ' ' OE2' ' A' ' 58' ' ' GLU . 63.0 m-85 -122.13 146.42 47.24 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 114.263 -1.335 . . . . 17.31 108.943 -179.26 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.1 tp -96.49 110.58 22.93 Favored 'General case' 0 N--CA 1.424 -1.738 0 N-CA-C 104.036 -2.579 . . . . 14.5 104.036 -173.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 65.6 t -97.58 121.87 48.56 Favored 'Isoleucine or valine' 0 C--O 1.259 1.568 0 CA-C-O 123.418 1.58 . . . . 11.65 110.523 -170.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -94.24 107.57 19.51 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 112.893 -1.958 . . . . 15.2 106.449 174.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -72.53 134.28 45.18 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 114.044 -1.435 . . . . 13.87 110.069 -176.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.6 ttpp -53.84 131.22 39.4 Favored 'General case' 0 C--O 1.266 1.943 0 CA-C-O 121.188 0.518 . . . . 52.12 111.448 169.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.11 0.99 78.71 Favored Glycine 0 C--O 1.204 -1.72 0 N-CA-C 116.462 1.345 . . . . 23.92 116.462 178.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' TRP . . . . . 0.443 ' CZ3' 'CL1 ' ' A' ' 101' ' ' 5PZ . 34.8 m95 -119.17 133.63 23.72 Favored Pre-proline 0 N--CA 1.446 -0.644 0 CA-C-N 118.703 1.251 . . . . 33.84 108.388 -177.741 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -48.57 145.11 12.83 Favored 'Trans proline' 0 CA--C 1.546 1.115 0 C-N-CA 120.798 0.998 . . . . 27.92 112.371 174.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -53.52 -34.94 74.67 Favored 'Trans proline' 0 CA--C 1.497 -1.363 1 C-N-CA 126.005 4.47 . . . . 18.63 113.793 -178.555 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -53.03 -31.03 39.02 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.706 -0.85 . . . . 24.62 108.706 177.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -93.42 18.53 9.62 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 115.117 1.525 . . . . 21.38 115.117 -178.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.0 m -65.92 144.39 56.82 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.442 1.097 . . . . 20.71 110.808 171.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.5 p -127.77 149.59 50.18 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 112.631 0.604 . . . . 16.41 112.631 -177.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -82.23 116.87 21.96 Favored 'General case' 0 CA--C 1.494 -1.198 0 C-N-CA 120.732 -0.387 . . . . 20.43 109.992 176.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -114.25 144.23 31.29 Favored Pre-proline 0 C--O 1.239 0.503 0 O-C-N 123.874 0.734 . . . . 14.98 111.088 -178.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.74 144.91 51.98 Favored 'Trans proline' 0 C--N 1.367 1.509 0 C-N-CA 121.434 1.423 . . . . 13.86 110.667 168.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -51.11 -32.46 22.73 Favored 'General case' 0 CA--C 1.511 -0.548 0 O-C-N 125.637 1.836 . . . . 23.05 112.868 174.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -78.0 -9.72 59.25 Favored 'General case' 0 C--O 1.186 -2.263 0 C-N-CA 120.127 -0.629 . . . . 37.45 110.91 -173.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -79.47 -23.42 43.06 Favored 'General case' 0 C--O 1.188 -2.162 0 N-CA-C 111.781 0.289 . . . . 17.06 111.781 178.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.6 mm -79.43 116.69 23.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 106.572 -1.64 . . . . 16.42 106.572 -171.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.5 mt -96.28 9.71 40.25 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 115.772 1.767 . . . . 27.62 115.772 -176.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -138.71 103.93 7.62 Favored Pre-proline 0 CA--C 1.489 -1.403 0 N-CA-C 103.368 -2.827 . . . . 19.1 103.368 -177.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -58.54 -29.16 88.07 Favored 'Trans proline' 0 C--O 1.208 -0.986 0 O-C-N 123.618 1.325 . . . . 16.8 111.145 -175.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 -54.61 -28.71 48.52 Favored 'General case' 0 CA--C 1.496 -1.097 0 C-N-CA 119.09 -1.044 . . . . 24.39 112.805 179.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.88 -40.92 97.67 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 117.913 0.324 . . . . 14.79 111.35 -177.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.0 t -81.39 -42.89 20.0 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.223 0 O-C-N 124.64 1.212 . . . . 15.91 109.16 -177.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 52.8 mtt -50.32 -48.83 55.1 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 124.271 0.982 . . . . 26.59 110.098 176.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.08 -45.99 79.17 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.742 0.645 . . . . 19.81 112.742 177.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -66.19 -49.54 66.98 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 119.058 -1.057 . . . . 21.74 109.928 178.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLU . . . . . 0.54 ' OE2' ' OH ' ' A' ' 28' ' ' TYR . 53.3 mm-40 -64.24 -32.3 73.84 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 121.645 0.736 . . . . 18.63 112.035 -171.679 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -62.04 -52.05 65.51 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 114.631 1.345 . . . . 36.43 114.631 175.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -54.73 -43.32 72.54 Favored 'General case' 0 CA--C 1.558 1.274 0 CA-C-O 121.268 0.556 . . . . 45.29 111.903 174.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -67.24 -38.73 85.68 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 113.976 1.102 . . . . 35.17 113.976 -176.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -62.59 -46.16 89.58 Favored 'General case' 0 C--O 1.246 0.895 0 N-CA-C 112.498 0.555 . . . . 18.97 112.498 169.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -44.97 -53.7 7.39 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 120.112 -0.635 . . . . 40.34 111.432 167.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -62.86 -51.18 67.98 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.914 0.759 . . . . 33.39 109.164 -175.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.4 ttp85 -53.7 -47.06 70.86 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 115.013 -0.994 . . . . 25.26 110.192 -177.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.67 -15.15 60.81 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 113.023 0.749 . . . . 22.94 113.023 -171.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 63.9 p -92.47 -23.96 18.96 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 118.202 -0.904 . . . . 32.38 112.645 175.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.624 0 C-N-CA 125.252 1.406 . . . . 44.81 115.518 175.806 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' 5PZ . . . . . 0.443 'CL1 ' ' CZ3' ' A' ' 35' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.512 2.645 0 N-CA-C 113.717 1.006 . . . . 32.729999999999997 113.717 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -101.58 154.18 19.08 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 106.19 -1.781 . . . . 26.609999999999999 106.19 173.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 47.7 t -76.19 153.59 36.01 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 115.305 1.594 . . . . 24.539999999999999 115.305 -177.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 25.6 t -57.75 143.8 40.59 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 107.524 -1.288 . . . . 19.129999999999999 107.524 158.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . -90.13 -1.78 75.31 Favored Glycine 0 C--O 1.188 -2.769 0 N-CA-C 111.264 -0.734 . . . . 19.949999999999999 111.264 171.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -6' ' ' LEU . . . . . . . . . . . . . 85.9 mt -82.37 116.88 22.05 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 114.169 1.174 . . . . 23.219999999999999 114.169 172.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -5' ' ' VAL . . . . . . . . . . . . . 93.4 t -57.06 126.55 73.67 Favored Pre-proline 0 N--CA 1.437 -1.121 0 N-CA-C 109.515 -0.55 . . . . 20.329999999999998 109.515 172.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -55.54 128.67 31.38 Favored 'Trans proline' 0 CA--C 1.556 1.609 0 C-N-CA 120.963 1.109 . . . . 28.16 113.307 176.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -3' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -73.05 -30.03 63.41 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.237 0.541 . . . . 29.420000000000002 111.508 -172.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -82.95 4.58 79.72 Favored Glycine 0 C--O 1.204 -1.73 0 N-CA-C 115.768 1.067 . . . . 35.689999999999998 115.768 173.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 19.4 p -75.21 130.32 38.96 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 119.665 1.732 . . . . 49.859999999999999 109.931 176.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -91.24 132.91 35.82 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 106.674 -1.602 . . . . 50.469999999999999 106.674 175.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.3 ttm -142.59 126.25 16.94 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 106.648 -1.612 . . . . 50.979999999999997 106.648 170.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.07 134.07 56.7 Favored 'General case' 0 C--O 1.208 -1.079 0 CA-C-N 115.059 -0.973 . . . . 46.390000000000001 109.881 -171.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.7 mt 46.27 49.91 12.5 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 114.342 1.238 . . . . 18.199999999999999 114.342 178.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.1 m -143.63 150.87 39.39 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 122.048 0.928 . . . . 13.26 112.88 -172.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.67 155.24 44.89 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-O 123.28 1.514 . . . . 11.07 111.214 168.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 81.7 mt -68.25 132.17 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.33 0 CA-C-N 113.375 -1.738 . . . . 12.19 108.362 171.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.21 157.84 16.91 Favored Glycine 0 N--CA 1.476 1.326 0 N-CA-C 110.95 -0.86 . . . . 10.800000000000001 110.95 166.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -96.1 142.03 28.78 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.662 0.268 . . . . 15.380000000000001 111.676 171.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -145.7 139.64 26.68 Favored 'General case' 0 C--O 1.252 1.198 0 N-CA-C 106.563 -1.643 . . . . 12.25 106.563 177.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.1 t -82.18 134.3 27.32 Favored 'Isoleucine or valine' 0 C--O 1.275 2.402 0 O-C-N 124.664 1.227 . . . . 13.32 108.462 177.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -131.35 149.34 52.59 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 125.164 1.54 . . . . 11.960000000000001 111.256 -177.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.07 139.06 37.07 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 118.656 -1.218 . . . . 12.130000000000001 109.271 -176.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.5 t -116.73 142.77 29.0 Favored 'Isoleucine or valine' 0 C--O 1.253 1.261 0 CA-C-N 113.331 -1.759 . . . . 15.039999999999999 109.254 -176.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -98.43 -46.67 5.68 Favored 'General case' 0 N--CA 1.415 -2.193 0 CA-C-N 113.203 -1.817 . . . . 37.25 107.161 -179.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.8 p -166.54 169.1 14.07 Favored 'General case' 0 N--CA 1.428 -1.536 0 C-N-CA 118.957 -1.097 . . . . 15.15 110.442 -177.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.0 mt -114.74 131.94 65.42 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.127 0 N-CA-C 105.962 -1.866 . . . . 16.18 105.962 173.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -107.51 -30.03 8.87 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 112.787 0.662 . . . . 39.289999999999999 112.787 -165.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -156.52 170.08 23.16 Favored 'General case' 0 N--CA 1.426 -1.628 0 CA-C-O 121.699 0.761 . . . . 32.619999999999997 110.283 -175.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -137.23 150.79 48.1 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-N 113.524 -1.671 . . . . 30.899999999999999 112.299 -179.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -150.64 164.2 36.67 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 112.628 0.603 . . . . 21.510000000000002 112.628 171.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.7 t -110.31 125.67 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 C-N-CA 119.504 -0.879 . . . . 35.539999999999999 108.857 163.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.6 ttp85 -122.94 122.35 38.36 Favored 'General case' 0 C--O 1.254 1.312 0 N-CA-C 106.839 -1.541 . . . . 53.520000000000003 106.839 174.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 82.0 mttt 51.76 -138.33 1.09 Allowed 'General case' 0 C--O 1.236 0.347 0 N-CA-C 107.488 -1.301 . . . . 75.930000000000007 107.488 -177.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.54 -35.18 10.57 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 119.145 -1.502 . . . . 55.259999999999998 114.489 178.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -121.29 149.26 43.16 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 118.82 2.896 . . . . 74.519999999999996 118.82 -143.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.8 t -80.56 134.7 26.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 114.226 -1.352 . . . . 32.609999999999999 110.413 174.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -133.09 145.37 50.68 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 125.309 1.631 . . . . 21.460000000000001 109.785 179.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -122.13 146.42 47.24 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 114.263 -1.335 . . . . 17.309999999999999 108.943 -179.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.1 tp -96.49 110.58 22.93 Favored 'General case' 0 N--CA 1.424 -1.738 0 N-CA-C 104.036 -2.579 . . . . 14.5 104.036 -173.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 65.6 t -97.58 121.87 48.56 Favored 'Isoleucine or valine' 0 C--O 1.259 1.568 0 CA-C-O 123.418 1.58 . . . . 11.65 110.523 -170.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -94.24 107.57 19.51 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 112.893 -1.958 . . . . 15.199999999999999 106.449 174.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -72.53 134.28 45.18 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 114.044 -1.435 . . . . 13.869999999999999 110.069 -176.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.6 ttpp -53.84 131.22 39.4 Favored 'General case' 0 C--O 1.266 1.943 0 CA-C-O 121.188 0.518 . . . . 52.119999999999997 111.448 169.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.11 0.99 78.71 Favored Glycine 0 C--O 1.204 -1.72 0 N-CA-C 116.462 1.345 . . . . 23.920000000000002 116.462 178.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' TRP . . . . . 0.443 ' CZ3' 'CL1 ' ' A' ' 101' ' ' 5PZ . 34.8 m95 -119.17 133.63 23.72 Favored Pre-proline 0 N--CA 1.446 -0.644 0 CA-C-N 118.703 1.251 . . . . 33.840000000000003 108.388 -177.741 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 79.0 Cg_exo -48.57 145.11 12.83 Favored 'Trans proline' 0 CA--C 1.546 1.115 0 C-N-CA 120.798 0.998 . . . . 27.920000000000002 112.371 174.223 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 36' ' ' PRO . 74.0 Cg_exo -53.52 -34.94 74.67 Favored 'Trans proline' 0 CA--C 1.497 -1.363 1 C-N-CA 126.005 4.47 . . . . 18.629999999999999 113.793 -178.555 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -53.03 -31.03 39.02 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.706 -0.85 . . . . 24.620000000000001 108.706 177.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -93.42 18.53 9.62 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 115.117 1.525 . . . . 21.379999999999999 115.117 -178.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.0 m -65.92 144.39 56.82 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.442 1.097 . . . . 20.710000000000001 110.808 171.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.5 p -127.77 149.59 50.18 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 112.631 0.604 . . . . 16.41 112.631 -177.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -82.23 116.87 21.96 Favored 'General case' 0 CA--C 1.494 -1.198 0 C-N-CA 120.732 -0.387 . . . . 20.43 109.992 176.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -114.25 144.23 31.29 Favored Pre-proline 0 C--O 1.239 0.503 0 O-C-N 123.874 0.734 . . . . 14.98 111.088 -178.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.74 144.91 51.98 Favored 'Trans proline' 0 C--N 1.367 1.509 0 C-N-CA 121.434 1.423 . . . . 13.859999999999999 110.667 168.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -51.11 -32.46 22.73 Favored 'General case' 0 CA--C 1.511 -0.548 0 O-C-N 125.637 1.836 . . . . 23.050000000000001 112.868 174.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -78.0 -9.72 59.25 Favored 'General case' 0 C--O 1.186 -2.263 0 C-N-CA 120.127 -0.629 . . . . 37.450000000000003 110.91 -173.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -79.47 -23.42 43.06 Favored 'General case' 0 C--O 1.188 -2.162 0 N-CA-C 111.781 0.289 . . . . 17.059999999999999 111.781 178.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.6 mm -79.43 116.69 23.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 106.572 -1.64 . . . . 16.420000000000002 106.572 -171.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.5 mt -96.28 9.71 40.25 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 115.772 1.767 . . . . 27.620000000000001 115.772 -176.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -138.71 103.93 7.62 Favored Pre-proline 0 CA--C 1.489 -1.403 0 N-CA-C 103.368 -2.827 . . . . 19.100000000000001 103.368 -177.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -58.54 -29.16 88.07 Favored 'Trans proline' 0 C--O 1.208 -0.986 0 O-C-N 123.618 1.325 . . . . 16.800000000000001 111.145 -175.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 -54.61 -28.71 48.52 Favored 'General case' 0 CA--C 1.496 -1.097 0 C-N-CA 119.09 -1.044 . . . . 24.390000000000001 112.805 179.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.88 -40.92 97.67 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 117.913 0.324 . . . . 14.789999999999999 111.35 -177.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.0 t -81.39 -42.89 20.0 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.223 0 O-C-N 124.64 1.212 . . . . 15.91 109.16 -177.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 52.8 mtt -50.32 -48.83 55.1 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 124.271 0.982 . . . . 26.59 110.098 176.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.08 -45.99 79.17 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.742 0.645 . . . . 19.809999999999999 112.742 177.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' TYR . . . . . 0.403 ' CZ ' ' HG3' ' A' ' 61' ' ' GLU . 59.9 t80 -66.19 -49.54 66.98 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 119.058 -1.057 . . . . 21.739999999999998 109.928 178.596 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -64.24 -32.3 73.84 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 121.645 0.736 . . . . 18.629999999999999 112.035 -171.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -62.04 -52.05 65.51 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 114.631 1.345 . . . . 36.43 114.631 175.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -54.73 -43.32 72.54 Favored 'General case' 0 CA--C 1.558 1.274 0 CA-C-O 121.268 0.556 . . . . 45.289999999999999 111.903 174.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . 0.403 ' HG3' ' CZ ' ' A' ' 57' ' ' TYR . 75.2 mm-40 -67.24 -38.73 85.68 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 113.976 1.102 . . . . 35.170000000000002 113.976 -176.908 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -62.59 -46.16 89.58 Favored 'General case' 0 C--O 1.246 0.895 0 N-CA-C 112.498 0.555 . . . . 18.969999999999999 112.498 169.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -44.97 -53.7 7.39 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 120.112 -0.635 . . . . 40.340000000000003 111.432 167.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -62.86 -51.18 67.98 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.914 0.759 . . . . 33.390000000000001 109.164 -175.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.4 ttp85 -53.7 -47.06 70.86 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 115.013 -0.994 . . . . 25.260000000000002 110.192 -177.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.67 -15.15 60.81 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 113.023 0.749 . . . . 22.940000000000001 113.023 -171.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 63.9 p -92.47 -23.96 18.96 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 118.202 -0.904 . . . . 32.380000000000003 112.645 175.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.624 0 C-N-CA 125.252 1.406 . . . . 44.810000000000002 115.518 175.806 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' 5PZ . . . . . 0.443 'CL1 ' ' CZ3' ' A' ' 35' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.512 2.645 0 N-CA-C 113.717 1.006 . . . . 32.729999999999997 113.717 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -101.58 154.18 19.08 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 106.19 -1.781 . . . . 26.609999999999999 106.19 173.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -9' ' ' SER . . . . . . . . . . . . . 47.7 t -76.19 153.59 36.01 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 115.305 1.594 . . . . 24.539999999999999 115.305 -177.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -8' ' ' SER . . . . . . . . . . . . . 25.6 t -57.75 143.8 40.59 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 107.524 -1.288 . . . . 19.129999999999999 107.524 158.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . -90.13 -1.78 75.31 Favored Glycine 0 C--O 1.188 -2.769 0 N-CA-C 111.264 -0.734 . . . . 19.949999999999999 111.264 171.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -6' ' ' LEU . . . . . . . . . . . . . 85.9 mt -82.37 116.88 22.05 Favored 'General case' 0 C--O 1.24 0.565 0 N-CA-C 114.169 1.174 . . . . 23.219999999999999 114.169 172.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -5' ' ' VAL . . . . . . . . . . . . . 93.4 t -57.06 126.55 73.67 Favored Pre-proline 0 N--CA 1.437 -1.121 0 N-CA-C 109.515 -0.55 . . . . 20.329999999999998 109.515 172.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -55.54 128.67 31.38 Favored 'Trans proline' 0 CA--C 1.556 1.609 0 C-N-CA 120.963 1.109 . . . . 28.16 113.307 176.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -3' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -73.05 -30.03 63.41 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.237 0.541 . . . . 29.420000000000002 111.508 -172.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -82.95 4.58 79.72 Favored Glycine 0 C--O 1.204 -1.73 0 N-CA-C 115.768 1.067 . . . . 35.689999999999998 115.768 173.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 19.4 p -75.21 130.32 38.96 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 119.665 1.732 . . . . 49.859999999999999 109.931 176.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -91.24 132.91 35.82 Favored 'General case' 0 CA--C 1.509 -0.612 0 N-CA-C 106.674 -1.602 . . . . 50.469999999999999 106.674 175.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.3 ttm -142.59 126.25 16.94 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 106.648 -1.612 . . . . 50.979999999999997 106.648 170.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.07 134.07 56.7 Favored 'General case' 0 C--O 1.208 -1.079 0 CA-C-N 115.059 -0.973 . . . . 46.390000000000001 109.881 -171.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 80.7 mt 46.27 49.91 12.5 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 114.342 1.238 . . . . 18.199999999999999 114.342 178.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.1 m -143.63 150.87 39.39 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 122.048 0.928 . . . . 13.26 112.88 -172.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.67 155.24 44.89 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-O 123.28 1.514 . . . . 11.07 111.214 168.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 81.7 mt -68.25 132.17 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.33 0 CA-C-N 113.375 -1.738 . . . . 12.19 108.362 171.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.21 157.84 16.91 Favored Glycine 0 N--CA 1.476 1.326 0 N-CA-C 110.95 -0.86 . . . . 10.800000000000001 110.95 166.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -96.1 142.03 28.78 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.662 0.268 . . . . 15.380000000000001 111.676 171.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -145.7 139.64 26.68 Favored 'General case' 0 C--O 1.252 1.198 0 N-CA-C 106.563 -1.643 . . . . 12.25 106.563 177.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.1 t -82.18 134.3 27.32 Favored 'Isoleucine or valine' 0 C--O 1.275 2.402 0 O-C-N 124.664 1.227 . . . . 13.32 108.462 177.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -131.35 149.34 52.59 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 125.164 1.54 . . . . 11.960000000000001 111.256 -177.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.07 139.06 37.07 Favored 'General case' 0 C--O 1.248 1.01 0 C-N-CA 118.656 -1.218 . . . . 12.130000000000001 109.271 -176.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.5 t -116.73 142.77 29.0 Favored 'Isoleucine or valine' 0 C--O 1.253 1.261 0 CA-C-N 113.331 -1.759 . . . . 15.039999999999999 109.254 -176.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -98.43 -46.67 5.68 Favored 'General case' 0 N--CA 1.415 -2.193 0 CA-C-N 113.203 -1.817 . . . . 37.25 107.161 -179.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.8 p -166.54 169.1 14.07 Favored 'General case' 0 N--CA 1.428 -1.536 0 C-N-CA 118.957 -1.097 . . . . 15.15 110.442 -177.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.0 mt -114.74 131.94 65.42 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.127 0 N-CA-C 105.962 -1.866 . . . . 16.18 105.962 173.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -107.51 -30.03 8.87 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 112.787 0.662 . . . . 39.289999999999999 112.787 -165.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -156.52 170.08 23.16 Favored 'General case' 0 N--CA 1.426 -1.628 0 CA-C-O 121.699 0.761 . . . . 32.619999999999997 110.283 -175.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -137.23 150.79 48.1 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-N 113.524 -1.671 . . . . 30.899999999999999 112.299 -179.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -150.64 164.2 36.67 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 112.628 0.603 . . . . 21.510000000000002 112.628 171.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.7 t -110.31 125.67 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 C-N-CA 119.504 -0.879 . . . . 35.539999999999999 108.857 163.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.6 ttp85 -122.94 122.35 38.36 Favored 'General case' 0 C--O 1.254 1.312 0 N-CA-C 106.839 -1.541 . . . . 53.520000000000003 106.839 174.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 82.0 mttt 51.76 -138.33 1.09 Allowed 'General case' 0 C--O 1.236 0.347 0 N-CA-C 107.488 -1.301 . . . . 75.930000000000007 107.488 -177.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.54 -35.18 10.57 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 119.145 -1.502 . . . . 55.259999999999998 114.489 178.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -121.29 149.26 43.16 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 118.82 2.896 . . . . 74.519999999999996 118.82 -143.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.8 t -80.56 134.7 26.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 114.226 -1.352 . . . . 32.609999999999999 110.413 174.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -133.09 145.37 50.68 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 125.309 1.631 . . . . 21.460000000000001 109.785 179.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -122.13 146.42 47.24 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 114.263 -1.335 . . . . 17.309999999999999 108.943 -179.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.1 tp -96.49 110.58 22.93 Favored 'General case' 0 N--CA 1.424 -1.738 0 N-CA-C 104.036 -2.579 . . . . 14.5 104.036 -173.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 65.6 t -97.58 121.87 48.56 Favored 'Isoleucine or valine' 0 C--O 1.259 1.568 0 CA-C-O 123.418 1.58 . . . . 11.65 110.523 -170.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -94.24 107.57 19.51 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 112.893 -1.958 . . . . 15.199999999999999 106.449 174.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -72.53 134.28 45.18 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 114.044 -1.435 . . . . 13.869999999999999 110.069 -176.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.6 ttpp -53.84 131.22 39.4 Favored 'General case' 0 C--O 1.266 1.943 0 CA-C-O 121.188 0.518 . . . . 52.119999999999997 111.448 169.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.11 0.99 78.71 Favored Glycine 0 C--O 1.204 -1.72 0 N-CA-C 116.462 1.345 . . . . 23.920000000000002 116.462 178.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.443 ' CZ3' 'CL1 ' ' A' ' 101' ' ' 5PZ . 34.8 m95 -119.17 133.63 23.72 Favored Pre-proline 0 N--CA 1.446 -0.644 0 CA-C-N 118.703 1.251 . . . . 33.840000000000003 108.388 -177.741 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 79.0 Cg_exo -48.57 145.11 12.83 Favored 'Trans proline' 0 CA--C 1.546 1.115 0 C-N-CA 120.798 0.998 . . . . 27.920000000000002 112.371 174.223 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 36' ' ' PRO . 74.0 Cg_exo -53.52 -34.94 74.67 Favored 'Trans proline' 0 CA--C 1.497 -1.363 1 C-N-CA 126.005 4.47 . . . . 18.629999999999999 113.793 -178.555 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -53.03 -31.03 39.02 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.706 -0.85 . . . . 24.620000000000001 108.706 177.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -93.42 18.53 9.62 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 115.117 1.525 . . . . 21.379999999999999 115.117 -178.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.0 m -65.92 144.39 56.82 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.442 1.097 . . . . 20.710000000000001 110.808 171.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.5 p -127.77 149.59 50.18 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 112.631 0.604 . . . . 16.41 112.631 -177.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -82.23 116.87 21.96 Favored 'General case' 0 CA--C 1.494 -1.198 0 C-N-CA 120.732 -0.387 . . . . 20.43 109.992 176.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -114.25 144.23 31.29 Favored Pre-proline 0 C--O 1.239 0.503 0 O-C-N 123.874 0.734 . . . . 14.98 111.088 -178.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.74 144.91 51.98 Favored 'Trans proline' 0 C--N 1.367 1.509 0 C-N-CA 121.434 1.423 . . . . 13.859999999999999 110.667 168.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -51.11 -32.46 22.73 Favored 'General case' 0 CA--C 1.511 -0.548 0 O-C-N 125.637 1.836 . . . . 23.050000000000001 112.868 174.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -78.0 -9.72 59.25 Favored 'General case' 0 C--O 1.186 -2.263 0 C-N-CA 120.127 -0.629 . . . . 37.450000000000003 110.91 -173.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -79.47 -23.42 43.06 Favored 'General case' 0 C--O 1.188 -2.162 0 N-CA-C 111.781 0.289 . . . . 17.059999999999999 111.781 178.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.6 mm -79.43 116.69 23.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 106.572 -1.64 . . . . 16.420000000000002 106.572 -171.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.5 mt -96.28 9.71 40.25 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 115.772 1.767 . . . . 27.620000000000001 115.772 -176.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -138.71 103.93 7.62 Favored Pre-proline 0 CA--C 1.489 -1.403 0 N-CA-C 103.368 -2.827 . . . . 19.100000000000001 103.368 -177.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -58.54 -29.16 88.07 Favored 'Trans proline' 0 C--O 1.208 -0.986 0 O-C-N 123.618 1.325 . . . . 16.800000000000001 111.145 -175.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.8 mtt85 -54.61 -28.71 48.52 Favored 'General case' 0 CA--C 1.496 -1.097 0 C-N-CA 119.09 -1.044 . . . . 24.390000000000001 112.805 179.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.88 -40.92 97.67 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 117.913 0.324 . . . . 14.789999999999999 111.35 -177.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.0 t -81.39 -42.89 20.0 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.223 0 O-C-N 124.64 1.212 . . . . 15.91 109.16 -177.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 52.8 mtt -50.32 -48.83 55.1 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 124.271 0.982 . . . . 26.59 110.098 176.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.08 -45.99 79.17 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.742 0.645 . . . . 19.809999999999999 112.742 177.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.403 ' CZ ' ' HG3' ' A' ' 61' ' ' GLU . 59.9 t80 -66.19 -49.54 66.98 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 119.058 -1.057 . . . . 21.739999999999998 109.928 178.596 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -64.24 -32.3 73.84 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 121.645 0.736 . . . . 18.629999999999999 112.035 -171.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -62.04 -52.05 65.51 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 114.631 1.345 . . . . 36.43 114.631 175.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -54.73 -43.32 72.54 Favored 'General case' 0 CA--C 1.558 1.274 0 CA-C-O 121.268 0.556 . . . . 45.289999999999999 111.903 174.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.403 ' HG3' ' CZ ' ' A' ' 57' ' ' TYR . 75.2 mm-40 -67.24 -38.73 85.68 Favored 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 113.976 1.102 . . . . 35.170000000000002 113.976 -176.908 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -62.59 -46.16 89.58 Favored 'General case' 0 C--O 1.246 0.895 0 N-CA-C 112.498 0.555 . . . . 18.969999999999999 112.498 169.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -44.97 -53.7 7.39 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 120.112 -0.635 . . . . 40.340000000000003 111.432 167.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -62.86 -51.18 67.98 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.914 0.759 . . . . 33.390000000000001 109.164 -175.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.4 ttp85 -53.7 -47.06 70.86 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-N 115.013 -0.994 . . . . 25.260000000000002 110.192 -177.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.67 -15.15 60.81 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 113.023 0.749 . . . . 22.940000000000001 113.023 -171.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 63.9 p -92.47 -23.96 18.96 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 118.202 -0.904 . . . . 32.380000000000003 112.645 175.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.624 0 C-N-CA 125.252 1.406 . . . . 44.810000000000002 115.518 175.806 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' 5PZ . . . . . 0.443 'CL1 ' ' CZ3' ' A' ' 35' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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. 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_