data_2hh7_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 2hh7 _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 ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.559 1.326 0 N-CA-C 113.875 1.065 . . . . 142.71 113.875 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tp -98.26 123.6 42.43 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 118.987 2.958 . . . . 93.51 118.987 -156.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' THR . . . . . 0.41 ' CG2' ' N ' ' A' ' 7' ' ' ALA . 16.5 m -58.71 150.39 23.62 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 118.598 2.814 . . . . 97.64 118.598 -179.146 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . 0.41 ' N ' ' CG2' ' A' ' 6' ' ' THR . . . -19.17 -80.33 0.01 OUTLIER 'General case' 0 C--O 1.255 1.356 0 CA-C-N 114.398 -1.273 . . . . 106.75 112.678 152.212 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -61.19 -46.73 89.28 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 112.612 -2.086 . . . . 89.79 113.811 -177.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -62.71 -31.51 72.44 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 114.536 1.31 . . . . 83.6 114.536 179.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -60.57 -50.3 74.1 Favored 'General case' 0 C--O 1.251 1.172 0 CA-C-O 122.341 1.067 . . . . 134.09 111.79 170.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.1 -45.25 70.71 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-N 114.525 -1.216 . . . . 81.02 111.188 -171.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -49.26 -45.72 45.19 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 124.59 1.181 . . . . 65.54 111.69 168.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.2 tp -62.13 -48.56 79.58 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 124.224 1.01 . . . . 72.68 111.344 176.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -67.69 -43.12 80.89 Favored 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 118.012 -1.475 . . . . 97.34 109.242 -179.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -51.76 47.13 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 123.61 0.569 . . . . 112.07 110.95 174.656 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.3 mp -55.59 -38.56 69.57 Favored 'General case' 0 C--O 1.243 0.716 0 N-CA-C 114.235 1.198 . . . . 70.47 114.235 175.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -66.41 -51.28 58.63 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 109.438 -0.579 . . . . 96.56 109.438 -179.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.3 m -45.96 -38.41 7.6 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.421 1.267 . . . . 82.18 114.421 168.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.2 t -77.69 -30.47 16.75 Favored 'Isoleucine or valine' 0 C--O 1.249 1.044 0 CA-C-O 121.512 0.672 . . . . 78.97 110.886 -175.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -66.59 -29.31 69.34 Favored 'General case' 0 C--O 1.211 -0.933 0 C-N-CA 119.215 -0.994 . . . . 104.8 111.273 178.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.47 -44.46 16.55 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 109.001 -1.64 . . . . 82.53 109.001 178.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -50.14 -46.02 53.57 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 124.373 0.69 . . . . 105.12 110.518 172.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.54 -38.81 78.56 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.44 1.644 . . . . 72.85 115.44 175.757 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.01 -44.44 91.69 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.063 -0.971 . . . . 111.47 112.233 177.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.07 -42.42 98.44 Favored Glycine 0 CA--C 1.502 -0.777 0 CA-C-N 113.378 -1.737 . . . . 70.87 110.421 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.7 mt -70.59 -45.71 73.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 109.276 -0.639 . . . . 66.53 109.276 -177.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.4 t -53.56 -42.51 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 CA-C-O 121.727 0.775 . . . . 78.76 109.988 176.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -62.91 -55.23 27.84 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-O 122.651 1.215 . . . . 98.67 113.196 179.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.2 ptm -62.46 -34.63 77.2 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 118.566 -1.254 . . . . 81.12 113.192 179.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tp -65.47 -38.2 89.09 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.778 -1.193 . . . . 85.12 107.778 179.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -32.63 72.82 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 112.689 0.626 . . . . 140.26 112.689 177.983 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 m -87.77 19.95 3.25 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 124.019 0.927 . . . . 78.55 113.133 176.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.6 t70 47.65 46.1 17.96 Favored 'General case' 0 C--O 1.245 0.847 0 C-N-CA 124.941 1.296 . . . . 108.76 113.406 -175.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.06 153.27 6.71 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 116.658 2.095 . . . . 72.49 116.658 176.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -52.09 119.61 4.53 Favored 'General case' 0 C--O 1.258 1.528 0 N-CA-C 114.888 1.44 . . . . 88.61 114.888 173.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.9 m -42.77 -48.79 5.71 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 113.765 -1.562 . . . . 68.14 112.631 -175.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.5 t -69.2 -42.19 81.53 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 C-N-CA 118.8 -1.16 . . . . 74.22 110.171 -169.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -54.94 -52.35 63.26 Favored 'General case' 0 C--O 1.257 1.482 0 N-CA-C 114.941 1.46 . . . . 81.54 114.941 177.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.9 t -50.19 -51.46 17.55 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.118 0 C-N-CA 126.075 1.75 . . . . 78.14 112.62 167.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.4 mtp -53.76 -44.74 70.24 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 112.235 0.457 . . . . 86.91 112.235 175.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -70.35 -26.18 63.62 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.173 1.175 . . . . 100.02 114.173 177.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -71.45 -40.19 70.51 Favored 'General case' 0 CA--C 1.508 -0.643 0 N-CA-C 107.641 -1.244 . . . . 84.87 107.641 176.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.1 mt -63.89 -41.83 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.165 0 CA-C-N 114.054 -1.43 . . . . 65.98 109.439 -173.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.9 m -63.81 -39.31 93.92 Favored 'General case' 0 N--CA 1.426 -1.658 0 N-CA-C 114.661 1.356 . . . . 71.89 114.661 171.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.24 -46.08 86.57 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 120.095 -0.642 . . . . 67.92 110.199 173.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.8 t -58.43 -49.16 83.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 O-C-N 122.012 -0.43 . . . . 69.46 111.37 179.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -57.41 -38.48 74.38 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 112.894 0.701 . . . . 94.83 112.894 179.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.7 p -65.12 -40.47 94.52 Favored 'General case' 0 C--O 1.258 1.539 0 C-N-CA 118.894 -1.122 . . . . 81.59 112.692 179.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 t -64.51 -39.2 93.34 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-O 121.588 0.709 . . . . 99.93 110.396 176.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.6 mt -58.03 -40.04 79.9 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.895 -0.593 . . . . 73.84 111.55 172.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . 0.528 ' CA ' ' OE1' ' A' ' 51' ' ' GLU . 2.0 tp10 -66.78 -40.28 88.11 Favored 'General case' 0 C--O 1.216 -0.706 0 C-N-CA 119.923 -0.711 . . . . 118.02 110.032 -178.09 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -44.66 87.32 Favored 'General case' 0 C--O 1.243 0.727 0 O-C-N 123.876 0.735 . . . . 129.11 111.552 -179.866 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.36 89.12 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 115.633 -0.712 . . . . 72.9 110.888 178.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -69.1 -23.71 64.04 Favored 'General case' 0 CA--C 1.504 -0.805 0 C-N-CA 119.199 -1.0 . . . . 79.97 110.745 -176.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.13 -31.65 16.14 Favored 'General case' 0 N--CA 1.434 -1.262 0 C-N-CA 118.167 -1.413 . . . . 138.15 109.803 -171.11 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.1 t -56.45 -43.56 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-N 115.63 -0.714 . . . . 70.84 110.772 163.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.6 mmm -52.61 -65.92 0.47 Allowed 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 120.994 0.426 . . . . 70.21 111.425 174.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -38.93 -48.42 1.57 Allowed 'General case' 0 C--O 1.265 1.894 0 C-N-CA 124.169 0.987 . . . . 78.74 111.817 171.46 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -66.27 -53.96 30.52 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 114.444 -1.253 . . . . 86.25 110.306 -174.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -43.55 -59.6 2.1 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 115.261 1.578 . . . . 74.01 115.261 165.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -46.47 -51.8 14.5 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 114.41 1.263 . . . . 84.41 114.41 175.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 39.1 mt -54.98 -53.03 60.93 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.866 1.432 . . . . 80.14 114.866 -179.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -19.67 64.34 Favored 'General case' 0 C--O 1.244 0.786 0 N-CA-C 113.749 1.018 . . . . 98.09 113.749 178.665 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' THR . . . . . 0.694 ' CG2' ' N ' ' A' ' 65' ' ' CYS . 1.0 OUTLIER -99.12 -112.66 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.367 -1.346 . . . . 75.84 107.367 -168.614 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' CYS . . . . . 0.694 ' N ' ' CG2' ' A' ' 64' ' ' THR . 60.9 m -57.24 -32.92 67.04 Favored 'General case' 0 C--O 1.252 1.208 0 N-CA-C 112.925 0.713 . . . . 99.78 112.925 -173.434 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -67.34 -52.21 42.97 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 124.702 1.251 . . . . 85.56 110.506 -172.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.44 -64.67 0.81 Allowed 'General case' 0 C--O 1.244 0.764 0 O-C-N 124.757 1.285 . . . . 93.68 110.318 -177.955 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.61 14.37 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.328 0 N-CA-C 114.796 1.406 . . . . 111.17 114.796 175.718 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ALA . . . . . 0.579 ' CB ' ' CB ' ' A' ' 74' ' ' HIS . . . -93.82 55.48 2.15 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 102.146 -3.279 . . . . 99.78 102.146 148.316 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' VAL . . . . . 0.746 ' O ' ' CE1' ' A' ' 74' ' ' HIS . 1.3 t -88.83 -62.93 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 128.434 2.693 . . . . 117.49 105.252 166.403 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LEU . . . . . 0.46 ' N ' ' CG1' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -71.61 147.96 47.06 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.632 -1.167 . . . . 134.23 108.217 -179.508 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASP . . . . . 0.683 ' O ' ' CE1' ' A' ' 74' ' ' HIS 0.318 0.5 OUTLIER 70.02 -146.5 0.09 Allowed 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 120.157 3.392 . . . . 161.06 120.157 168.226 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.79 -13.14 68.65 Favored Glycine 0 C--N 1.338 0.644 0 N-CA-C 115.796 1.079 . . . . 157.06 115.796 -174.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' HIS . . . . . 0.746 ' CE1' ' O ' ' A' ' 70' ' ' VAL . 17.4 p-80 -9.74 -110.11 0.0 OUTLIER 'General case' 0 C--O 1.243 0.722 0 N-CA-C 115.596 1.702 . . . . 154.21 115.596 171.949 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLY . . . . . 0.724 ' N ' ' CD2' ' A' ' 74' ' ' HIS . . . 19.5 -111.29 0.01 OUTLIER Glycine 0 C--N 1.336 0.578 0 O-C-N 124.596 1.185 . . . . 124.27 114.585 172.268 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -53.25 -42.92 66.93 Favored 'General case' 0 C--O 1.244 0.798 0 N-CA-C 114.161 1.171 . . . . 131.14 114.161 -166.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.9 -45.92 80.2 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.519 0.933 . . . . 108.14 113.519 -177.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.23 -46.94 86.63 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.51 0.671 . . . . 88.86 111.089 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.1 mt -59.0 -54.64 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-N 114.261 -1.336 . . . . 93.41 110.101 173.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.93 -38.21 75.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.96 0.41 . . . . 140.17 110.673 -168.802 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.66 -26.71 22.88 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.613 0.72 . . . . 107.89 112.347 -177.595 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.81 -35.12 68.38 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 107.969 -1.122 . . . . 98.04 107.969 168.44 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ILE . . . . . 0.428 ' O ' ' CG1' ' A' ' 86' ' ' VAL . 7.6 mm -66.71 -33.98 67.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 N-CA-C 113.793 1.034 . . . . 107.89 113.793 -174.027 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -30.56 70.78 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.836 0.68 . . . . 143.78 112.836 176.54 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -81.02 -0.35 39.27 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 112.62 0.6 . . . . 116.09 112.62 -176.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' VAL . . . . . 0.428 ' CG1' ' O ' ' A' ' 83' ' ' ILE . 13.9 p -91.97 -45.05 14.37 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 N-CA-C 107.742 -1.207 . . . . 145.95 107.742 173.83 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.2 mmmp? -157.73 117.01 3.26 Favored 'General case' 0 C--O 1.242 0.702 0 O-C-N 123.854 0.721 . . . . 142.64 111.692 162.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' PHE . . . . . 0.686 ' CD2' ' C ' ' A' ' 88' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.794 0 C-N-CA 124.527 1.131 . . . . 157.98 110.851 166.742 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . 0.642 ' HA ' ' OE1' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.559 1.326 0 N-CA-C 113.875 1.065 . . . . 142.71000000000001 113.875 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . 0.705 HD23 ' HD2' ' A' ' 10' ' ' ARG . 2.6 tp -98.26 123.6 42.43 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 118.987 2.958 . . . . 93.510000000000005 118.987 -156.854 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' THR . . . . . 0.66 HG22 ' N ' ' A' ' 8' ' ' LYS . 16.5 m -58.71 150.39 23.62 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 118.598 2.814 . . . . 97.640000000000001 118.598 -179.146 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . 0.41 ' N ' ' CG2' ' A' ' 6' ' ' THR . . . -19.17 -80.33 0.01 OUTLIER 'General case' 0 C--O 1.255 1.356 0 CA-C-N 114.398 -1.273 . . . . 106.75 112.678 152.212 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . 0.66 ' N ' HG22 ' A' ' 6' ' ' THR . 44.0 mttm -61.19 -46.73 89.28 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 112.612 -2.086 . . . . 89.790000000000006 113.811 -177.031 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -62.71 -31.51 72.44 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 114.536 1.31 . . . . 83.599999999999994 114.536 179.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ARG . . . . . 0.711 ' NH1' HD23 ' A' ' 13' ' ' LEU . 8.5 mmm180 -60.57 -50.3 74.1 Favored 'General case' 0 C--O 1.251 1.172 0 CA-C-O 122.341 1.067 . . . . 134.09 111.79 170.756 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.1 -45.25 70.71 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-N 114.525 -1.216 . . . . 81.019999999999996 111.188 -171.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . 0.419 ' O ' HD13 ' A' ' 16' ' ' LEU . . . -49.26 -45.72 45.19 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 124.59 1.181 . . . . 65.540000000000006 111.69 168.951 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . 0.711 HD23 ' NH1' ' A' ' 10' ' ' ARG . 34.2 tp -62.13 -48.56 79.58 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 124.224 1.01 . . . . 72.680000000000007 111.344 176.558 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -67.69 -43.12 80.89 Favored 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 118.012 -1.475 . . . . 97.340000000000003 109.242 -179.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -51.76 47.13 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 123.61 0.569 . . . . 112.06999999999999 110.95 174.656 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 12' ' ' ALA . 6.3 mp -55.59 -38.56 69.57 Favored 'General case' 0 C--O 1.243 0.716 0 N-CA-C 114.235 1.198 . . . . 70.469999999999999 114.235 175.64 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -66.41 -51.28 58.63 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 109.438 -0.579 . . . . 96.560000000000002 109.438 -179.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.3 m -45.96 -38.41 7.6 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.421 1.267 . . . . 82.180000000000007 114.421 168.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' VAL . . . . . 0.638 HG11 HD21 ' A' ' 50' ' ' LEU . 41.2 t -77.69 -30.47 16.75 Favored 'Isoleucine or valine' 0 C--O 1.249 1.044 0 CA-C-O 121.512 0.672 . . . . 78.969999999999999 110.886 -175.897 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -66.59 -29.31 69.34 Favored 'General case' 0 C--O 1.211 -0.933 0 C-N-CA 119.215 -0.994 . . . . 104.8 111.273 178.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.47 -44.46 16.55 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 109.001 -1.64 . . . . 82.530000000000001 109.001 178.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -50.14 -46.02 53.57 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 124.373 0.69 . . . . 105.12 110.518 172.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . 0.439 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -58.54 -38.81 78.56 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.44 1.644 . . . . 72.849999999999994 115.44 175.757 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.01 -44.44 91.69 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.063 -0.971 . . . . 111.47 112.233 177.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.07 -42.42 98.44 Favored Glycine 0 CA--C 1.502 -0.777 0 CA-C-N 113.378 -1.737 . . . . 70.870000000000005 110.421 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.7 mt -70.59 -45.71 73.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 109.276 -0.639 . . . . 66.530000000000001 109.276 -177.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.4 t -53.56 -42.51 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 CA-C-O 121.727 0.775 . . . . 78.760000000000005 109.988 176.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -62.91 -55.23 27.84 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-O 122.651 1.215 . . . . 98.670000000000002 113.196 179.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.2 ptm -62.46 -34.63 77.2 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 118.566 -1.254 . . . . 81.120000000000005 113.192 179.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . 0.44 HD13 HG11 ' A' ' 39' ' ' VAL . 2.8 tp -65.47 -38.2 89.09 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.778 -1.193 . . . . 85.120000000000005 107.778 179.147 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -32.63 72.82 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 112.689 0.626 . . . . 140.25999999999999 112.689 177.983 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 m -87.77 19.95 3.25 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 124.019 0.927 . . . . 78.549999999999997 113.133 176.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.6 t70 47.65 46.1 17.96 Favored 'General case' 0 C--O 1.245 0.847 0 C-N-CA 124.941 1.296 . . . . 108.76000000000001 113.406 -175.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.06 153.27 6.71 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 116.658 2.095 . . . . 72.489999999999995 116.658 176.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' TYR . . . . . 0.451 ' HB3' ' OD2' ' A' ' 38' ' ' ASP . 14.0 t80 -52.09 119.61 4.53 Favored 'General case' 0 C--O 1.258 1.528 0 N-CA-C 114.888 1.44 . . . . 88.609999999999999 114.888 173.569 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.9 m -42.77 -48.79 5.71 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 113.765 -1.562 . . . . 68.140000000000001 112.631 -175.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' VAL . . . . . 0.802 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 25.5 t -69.2 -42.19 81.53 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 C-N-CA 118.8 -1.16 . . . . 74.219999999999999 110.171 -169.308 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASP . . . . . 0.451 ' OD2' ' HB3' ' A' ' 35' ' ' TYR . 62.6 m-20 -54.94 -52.35 63.26 Favored 'General case' 0 C--O 1.257 1.482 0 N-CA-C 114.941 1.46 . . . . 81.540000000000006 114.941 177.728 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' VAL . . . . . 0.44 HG11 HD13 ' A' ' 30' ' ' LEU . 85.9 t -50.19 -51.46 17.55 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.118 0 C-N-CA 126.075 1.75 . . . . 78.140000000000001 112.62 167.715 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.4 mtp -53.76 -44.74 70.24 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 112.235 0.457 . . . . 86.909999999999997 112.235 175.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LYS . . . . . 0.802 ' HG3' ' O ' ' A' ' 37' ' ' VAL . 11.8 mtpt -70.35 -26.18 63.62 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.173 1.175 . . . . 100.02 114.173 177.919 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -71.45 -40.19 70.51 Favored 'General case' 0 CA--C 1.508 -0.643 0 N-CA-C 107.641 -1.244 . . . . 84.870000000000005 107.641 176.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ILE . . . . . 0.663 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 25.1 mt -63.89 -41.83 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.165 0 CA-C-N 114.054 -1.43 . . . . 65.980000000000004 109.439 -173.664 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.9 m -63.81 -39.31 93.92 Favored 'General case' 0 N--CA 1.426 -1.658 0 N-CA-C 114.661 1.356 . . . . 71.890000000000001 114.661 171.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.24 -46.08 86.57 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 120.095 -0.642 . . . . 67.920000000000002 110.199 173.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' VAL . . . . . 0.432 HG21 ' CD2' ' A' ' 23' ' ' LEU . 2.8 t -58.43 -49.16 83.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 O-C-N 122.012 -0.43 . . . . 69.459999999999994 111.37 179.288 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLN . . . . . 0.663 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 11.9 mt-30 -57.41 -38.48 74.38 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 112.894 0.701 . . . . 94.829999999999998 112.894 179.159 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.7 p -65.12 -40.47 94.52 Favored 'General case' 0 C--O 1.258 1.539 0 C-N-CA 118.894 -1.122 . . . . 81.590000000000003 112.692 179.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 t -64.51 -39.2 93.34 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-O 121.588 0.709 . . . . 99.930000000000007 110.396 176.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LEU . . . . . 0.638 HD21 HG11 ' A' ' 19' ' ' VAL . 6.6 mt -58.03 -40.04 79.9 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.895 -0.593 . . . . 73.840000000000003 111.55 172.946 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . 0.854 ' OE1' ' HA ' ' A' ' 51' ' ' GLU . 2.0 tp10 -66.78 -40.28 88.11 Favored 'General case' 0 C--O 1.216 -0.706 0 C-N-CA 119.923 -0.711 . . . . 118.02 110.032 -178.09 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -44.66 87.32 Favored 'General case' 0 C--O 1.243 0.727 0 O-C-N 123.876 0.735 . . . . 129.11000000000001 111.552 -179.866 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.36 89.12 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 115.633 -0.712 . . . . 72.900000000000006 110.888 178.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -69.1 -23.71 64.04 Favored 'General case' 0 CA--C 1.504 -0.805 0 C-N-CA 119.199 -1.0 . . . . 79.969999999999999 110.745 -176.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.13 -31.65 16.14 Favored 'General case' 0 N--CA 1.434 -1.262 0 C-N-CA 118.167 -1.413 . . . . 138.15000000000001 109.803 -171.11 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' VAL . . . . . 0.506 HG12 ' HB3' ' A' ' 8' ' ' LYS . 86.1 t -56.45 -43.56 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-N 115.63 -0.714 . . . . 70.840000000000003 110.772 163.388 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.6 mmm -52.61 -65.92 0.47 Allowed 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 120.994 0.426 . . . . 70.209999999999994 111.425 174.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -38.93 -48.42 1.57 Allowed 'General case' 0 C--O 1.265 1.894 0 C-N-CA 124.169 0.987 . . . . 78.739999999999995 111.817 171.46 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' HIS . . . . . 0.539 ' HD2' ' O ' ' A' ' 121' ' ' HOH . 0.5 OUTLIER -66.27 -53.96 30.52 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 114.444 -1.253 . . . . 86.25 110.306 -174.458 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASN . . . . . 0.708 ' O ' ' HB ' ' A' ' 64' ' ' THR . 34.1 t30 -43.55 -59.6 2.1 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 115.261 1.578 . . . . 74.010000000000005 115.261 165.776 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' HIS . . . . . 0.408 ' CD2' HD22 ' A' ' 82' ' ' LEU . 80.3 t60 -46.47 -51.8 14.5 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 114.41 1.263 . . . . 84.409999999999997 114.41 175.362 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LEU . . . . . 0.624 ' HA ' ' HB3' ' A' ' 66' ' ' PHE . 39.1 mt -54.98 -53.03 60.93 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.866 1.432 . . . . 80.140000000000001 114.866 -179.298 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLU . . . . . 0.433 ' H ' ' HG3' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -68.75 -19.67 64.34 Favored 'General case' 0 C--O 1.244 0.786 0 N-CA-C 113.749 1.018 . . . . 98.090000000000003 113.749 178.665 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 64' ' ' THR . . . . . 1.087 HG22 ' H ' ' A' ' 65' ' ' CYS . 1.0 OUTLIER -99.12 -112.66 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.367 -1.346 . . . . 75.840000000000003 107.367 -168.614 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 65' ' ' CYS . . . . . 1.087 ' H ' HG22 ' A' ' 64' ' ' THR . 60.9 m -57.24 -32.92 67.04 Favored 'General case' 0 C--O 1.252 1.208 0 N-CA-C 112.925 0.713 . . . . 99.780000000000001 112.925 -173.434 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' PHE . . . . . 0.624 ' HB3' ' HA ' ' A' ' 62' ' ' LEU . 64.1 t80 -67.34 -52.21 42.97 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 124.702 1.251 . . . . 85.560000000000002 110.506 -172.727 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.44 -64.67 0.81 Allowed 'General case' 0 C--O 1.244 0.764 0 O-C-N 124.757 1.285 . . . . 93.680000000000007 110.318 -177.955 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' THR . . . . . 0.499 HG21 ' O ' ' A' ' 131' ' ' HOH . 0.0 OUTLIER -59.61 14.37 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.328 0 N-CA-C 114.796 1.406 . . . . 111.17 114.796 175.718 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ALA . . . . . 0.88 ' HB1' ' CB ' ' A' ' 74' ' ' HIS . . . -93.82 55.48 2.15 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 102.146 -3.279 . . . . 99.780000000000001 102.146 148.316 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' VAL . . . . . 0.746 ' O ' ' CE1' ' A' ' 74' ' ' HIS . 1.3 t -88.83 -62.93 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 128.434 2.693 . . . . 117.48999999999999 105.252 166.403 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LEU . . . . . 0.681 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -71.61 147.96 47.06 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.632 -1.167 . . . . 134.22999999999999 108.217 -179.508 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASP . . . . . 0.683 ' O ' ' CE1' ' A' ' 74' ' ' HIS 0.318 0.5 OUTLIER 70.02 -146.5 0.09 Allowed 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 120.157 3.392 . . . . 161.06 120.157 168.226 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.79 -13.14 68.65 Favored Glycine 0 C--N 1.338 0.644 0 N-CA-C 115.796 1.079 . . . . 157.06 115.796 -174.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' HIS . . . . . 0.899 ' CD2' ' H ' ' A' ' 75' ' ' GLY . 17.4 p-80 -9.74 -110.11 0.0 OUTLIER 'General case' 0 C--O 1.243 0.722 0 N-CA-C 115.596 1.702 . . . . 154.21000000000001 115.596 171.949 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLY . . . . . 0.899 ' H ' ' CD2' ' A' ' 74' ' ' HIS . . . 19.5 -111.29 0.01 OUTLIER Glycine 0 C--N 1.336 0.578 0 O-C-N 124.596 1.185 . . . . 124.27 114.585 172.268 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLN . . . . . 0.532 ' O ' ' HB2' ' A' ' 80' ' ' GLU . 5.3 tp60 -53.25 -42.92 66.93 Favored 'General case' 0 C--O 1.244 0.798 0 N-CA-C 114.161 1.171 . . . . 131.13999999999999 114.161 -166.855 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ALA . . . . . 0.461 ' O ' ' HG2' ' A' ' 81' ' ' GLU . . . -65.9 -45.92 80.2 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.519 0.933 . . . . 108.14 113.519 -177.784 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.23 -46.94 86.63 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.51 0.671 . . . . 88.859999999999999 111.089 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.1 mt -59.0 -54.64 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-N 114.261 -1.336 . . . . 93.409999999999997 110.101 173.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLU . . . . . 0.532 ' HB2' ' O ' ' A' ' 76' ' ' GLN . 0.7 OUTLIER -57.93 -38.21 75.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.96 0.41 . . . . 140.16999999999999 110.673 -168.802 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -87.66 -26.71 22.88 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.613 0.72 . . . . 107.89 112.347 -177.595 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 82' ' ' LEU . . . . . 0.568 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -56.81 -35.12 68.38 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 107.969 -1.122 . . . . 98.040000000000006 107.969 168.44 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ILE . . . . . 0.856 ' O ' HG12 ' A' ' 86' ' ' VAL . 7.6 mm -66.71 -33.98 67.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 N-CA-C 113.793 1.034 . . . . 107.89 113.793 -174.027 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ASP . . . . . 0.68 ' HB3' ' HD1' ' A' ' 88' ' ' PHE . 0.8 OUTLIER -66.82 -30.56 70.78 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.836 0.68 . . . . 143.78 112.836 176.54 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -81.02 -0.35 39.27 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 112.62 0.6 . . . . 116.09 112.62 -176.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' VAL . . . . . 0.856 HG12 ' O ' ' A' ' 83' ' ' ILE . 13.9 p -91.97 -45.05 14.37 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 N-CA-C 107.742 -1.207 . . . . 145.94999999999999 107.742 173.83 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 86' ' ' VAL . 4.2 mmmp? -157.73 117.01 3.26 Favored 'General case' 0 C--O 1.242 0.702 0 O-C-N 123.854 0.721 . . . . 142.63999999999999 111.692 162.115 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' PHE . . . . . 0.686 ' C ' ' CD2' ' A' ' 88' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.794 0 C-N-CA 124.527 1.131 . . . . 157.97999999999999 110.851 166.742 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 120' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . 0.539 ' O ' ' HD2' ' A' ' 59' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . 0.407 ' O ' ' HB3' ' A' ' 87' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . 0.499 ' O ' HG21 ' A' ' 68' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . 0.563 ' O ' ' HD3' ' A' ' 10' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.642 ' HA ' ' OE1' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.559 1.326 0 N-CA-C 113.875 1.065 . . . . 142.71000000000001 113.875 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.705 HD23 ' HD2' ' A' ' 10' ' ' ARG . 2.6 tp -98.26 123.6 42.43 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 118.987 2.958 . . . . 93.510000000000005 118.987 -156.854 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' THR . . . . . 0.66 HG22 ' N ' ' A' ' 8' ' ' LYS . 16.5 m -58.71 150.39 23.62 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 118.598 2.814 . . . . 97.640000000000001 118.598 -179.146 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.41 ' N ' ' CG2' ' A' ' 6' ' ' THR . . . -19.17 -80.33 0.01 OUTLIER 'General case' 0 C--O 1.255 1.356 0 CA-C-N 114.398 -1.273 . . . . 106.75 112.678 152.212 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.66 ' N ' HG22 ' A' ' 6' ' ' THR . 44.0 mttm -61.19 -46.73 89.28 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 112.612 -2.086 . . . . 89.790000000000006 113.811 -177.031 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -62.71 -31.51 72.44 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 114.536 1.31 . . . . 83.599999999999994 114.536 179.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.711 ' NH1' HD23 ' A' ' 13' ' ' LEU . 8.5 mmm180 -60.57 -50.3 74.1 Favored 'General case' 0 C--O 1.251 1.172 0 CA-C-O 122.341 1.067 . . . . 134.09 111.79 170.756 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.1 -45.25 70.71 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-N 114.525 -1.216 . . . . 81.019999999999996 111.188 -171.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.419 ' O ' HD13 ' A' ' 16' ' ' LEU . . . -49.26 -45.72 45.19 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 124.59 1.181 . . . . 65.540000000000006 111.69 168.951 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.711 HD23 ' NH1' ' A' ' 10' ' ' ARG . 34.2 tp -62.13 -48.56 79.58 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 124.224 1.01 . . . . 72.680000000000007 111.344 176.558 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -67.69 -43.12 80.89 Favored 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 118.012 -1.475 . . . . 97.340000000000003 109.242 -179.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -51.76 47.13 Favored 'General case' 0 N--CA 1.45 -0.46 0 O-C-N 123.61 0.569 . . . . 112.06999999999999 110.95 174.656 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 12' ' ' ALA . 6.3 mp -55.59 -38.56 69.57 Favored 'General case' 0 C--O 1.243 0.716 0 N-CA-C 114.235 1.198 . . . . 70.469999999999999 114.235 175.64 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -66.41 -51.28 58.63 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 109.438 -0.579 . . . . 96.560000000000002 109.438 -179.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.3 m -45.96 -38.41 7.6 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.421 1.267 . . . . 82.180000000000007 114.421 168.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.638 HG11 HD21 ' A' ' 50' ' ' LEU . 41.2 t -77.69 -30.47 16.75 Favored 'Isoleucine or valine' 0 C--O 1.249 1.044 0 CA-C-O 121.512 0.672 . . . . 78.969999999999999 110.886 -175.897 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 -66.59 -29.31 69.34 Favored 'General case' 0 C--O 1.211 -0.933 0 C-N-CA 119.215 -0.994 . . . . 104.8 111.273 178.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.47 -44.46 16.55 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 109.001 -1.64 . . . . 82.530000000000001 109.001 178.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -50.14 -46.02 53.57 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 124.373 0.69 . . . . 105.12 110.518 172.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.439 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -58.54 -38.81 78.56 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.44 1.644 . . . . 72.849999999999994 115.44 175.757 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.01 -44.44 91.69 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.063 -0.971 . . . . 111.47 112.233 177.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.07 -42.42 98.44 Favored Glycine 0 CA--C 1.502 -0.777 0 CA-C-N 113.378 -1.737 . . . . 70.870000000000005 110.421 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.7 mt -70.59 -45.71 73.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 N-CA-C 109.276 -0.639 . . . . 66.530000000000001 109.276 -177.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.4 t -53.56 -42.51 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 CA-C-O 121.727 0.775 . . . . 78.760000000000005 109.988 176.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -62.91 -55.23 27.84 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-O 122.651 1.215 . . . . 98.670000000000002 113.196 179.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.2 ptm -62.46 -34.63 77.2 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 118.566 -1.254 . . . . 81.120000000000005 113.192 179.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.44 HD13 HG11 ' A' ' 39' ' ' VAL . 2.8 tp -65.47 -38.2 89.09 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.778 -1.193 . . . . 85.120000000000005 107.778 179.147 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -32.63 72.82 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 112.689 0.626 . . . . 140.25999999999999 112.689 177.983 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 m -87.77 19.95 3.25 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 124.019 0.927 . . . . 78.549999999999997 113.133 176.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.6 t70 47.65 46.1 17.96 Favored 'General case' 0 C--O 1.245 0.847 0 C-N-CA 124.941 1.296 . . . . 108.76000000000001 113.406 -175.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.06 153.27 6.71 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 116.658 2.095 . . . . 72.489999999999995 116.658 176.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.451 ' HB3' ' OD2' ' A' ' 38' ' ' ASP . 14.0 t80 -52.09 119.61 4.53 Favored 'General case' 0 C--O 1.258 1.528 0 N-CA-C 114.888 1.44 . . . . 88.609999999999999 114.888 173.569 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.9 m -42.77 -48.79 5.71 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 113.765 -1.562 . . . . 68.140000000000001 112.631 -175.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.802 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 25.5 t -69.2 -42.19 81.53 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 C-N-CA 118.8 -1.16 . . . . 74.219999999999999 110.171 -169.308 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.451 ' OD2' ' HB3' ' A' ' 35' ' ' TYR . 62.6 m-20 -54.94 -52.35 63.26 Favored 'General case' 0 C--O 1.257 1.482 0 N-CA-C 114.941 1.46 . . . . 81.540000000000006 114.941 177.728 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.44 HG11 HD13 ' A' ' 30' ' ' LEU . 85.9 t -50.19 -51.46 17.55 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.118 0 C-N-CA 126.075 1.75 . . . . 78.140000000000001 112.62 167.715 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.4 mtp -53.76 -44.74 70.24 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 112.235 0.457 . . . . 86.909999999999997 112.235 175.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.802 ' HG3' ' O ' ' A' ' 37' ' ' VAL . 11.8 mtpt -70.35 -26.18 63.62 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.173 1.175 . . . . 100.02 114.173 177.919 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.515 ' HA ' ' NE2' ' A' ' 42' ' ' GLN . 8.5 mm100 -71.45 -40.19 70.51 Favored 'General case' 0 CA--C 1.508 -0.643 0 N-CA-C 107.641 -1.244 . . . . 84.870000000000005 107.641 176.578 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.663 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 25.1 mt -63.89 -41.83 93.8 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.165 0 CA-C-N 114.054 -1.43 . . . . 65.980000000000004 109.439 -173.664 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.9 m -63.81 -39.31 93.92 Favored 'General case' 0 N--CA 1.426 -1.658 0 N-CA-C 114.661 1.356 . . . . 71.890000000000001 114.661 171.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.24 -46.08 86.57 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 120.095 -0.642 . . . . 67.920000000000002 110.199 173.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.432 HG21 ' CD2' ' A' ' 23' ' ' LEU . 2.8 t -58.43 -49.16 83.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 O-C-N 122.012 -0.43 . . . . 69.459999999999994 111.37 179.288 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.663 ' HG3' ' O ' ' A' ' 43' ' ' ILE . 11.9 mt-30 -57.41 -38.48 74.38 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 112.894 0.701 . . . . 94.829999999999998 112.894 179.159 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.7 p -65.12 -40.47 94.52 Favored 'General case' 0 C--O 1.258 1.539 0 C-N-CA 118.894 -1.122 . . . . 81.590000000000003 112.692 179.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 t -64.51 -39.2 93.34 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-O 121.588 0.709 . . . . 99.930000000000007 110.396 176.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.638 HD21 HG11 ' A' ' 19' ' ' VAL . 6.6 mt -58.03 -40.04 79.9 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.895 -0.593 . . . . 73.840000000000003 111.55 172.946 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.854 ' OE1' ' HA ' ' A' ' 51' ' ' GLU . 2.0 tp10 -66.78 -40.28 88.11 Favored 'General case' 0 C--O 1.216 -0.706 0 C-N-CA 119.923 -0.711 . . . . 118.02 110.032 -178.09 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -44.66 87.32 Favored 'General case' 0 C--O 1.243 0.727 0 O-C-N 123.876 0.735 . . . . 129.11000000000001 111.552 -179.866 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.31 -38.36 89.12 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-N 115.633 -0.712 . . . . 72.900000000000006 110.888 178.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -69.1 -23.71 64.04 Favored 'General case' 0 CA--C 1.504 -0.805 0 C-N-CA 119.199 -1.0 . . . . 79.969999999999999 110.745 -176.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.13 -31.65 16.14 Favored 'General case' 0 N--CA 1.434 -1.262 0 C-N-CA 118.167 -1.413 . . . . 138.15000000000001 109.803 -171.11 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.506 HG12 ' HB3' ' A' ' 8' ' ' LYS . 86.1 t -56.45 -43.56 78.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-N 115.63 -0.714 . . . . 70.840000000000003 110.772 163.388 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 20.6 mmm -52.61 -65.92 0.47 Allowed 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 120.994 0.426 . . . . 70.209999999999994 111.425 174.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -38.93 -48.42 1.57 Allowed 'General case' 0 C--O 1.265 1.894 0 C-N-CA 124.169 0.987 . . . . 78.739999999999995 111.817 171.46 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.504 ' CD2' ' HE3' ' A' ' 8' ' ' LYS . 16.6 t-160 -66.27 -53.96 30.52 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 114.444 -1.253 . . . . 86.25 110.306 -174.458 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.708 ' O ' ' HB ' ' A' ' 64' ' ' THR . 34.1 t30 -43.55 -59.6 2.1 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 115.261 1.578 . . . . 74.010000000000005 115.261 165.776 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.408 ' CD2' HD22 ' A' ' 82' ' ' LEU . 80.3 t60 -46.47 -51.8 14.5 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 114.41 1.263 . . . . 84.409999999999997 114.41 175.362 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.624 ' HA ' ' HB3' ' A' ' 66' ' ' PHE . 39.1 mt -54.98 -53.03 60.93 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.866 1.432 . . . . 80.140000000000001 114.866 -179.298 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.433 ' H ' ' HG3' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -68.75 -19.67 64.34 Favored 'General case' 0 C--O 1.244 0.786 0 N-CA-C 113.749 1.018 . . . . 98.090000000000003 113.749 178.665 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' THR . . . . . 1.087 HG22 ' H ' ' A' ' 65' ' ' CYS . 1.0 OUTLIER -99.12 -112.66 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.367 -1.346 . . . . 75.840000000000003 107.367 -168.614 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.087 ' H ' HG22 ' A' ' 64' ' ' THR . 60.9 m -57.24 -32.92 67.04 Favored 'General case' 0 C--O 1.252 1.208 0 N-CA-C 112.925 0.713 . . . . 99.780000000000001 112.925 -173.434 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.624 ' HB3' ' HA ' ' A' ' 62' ' ' LEU . 64.1 t80 -67.34 -52.21 42.97 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 124.702 1.251 . . . . 85.560000000000002 110.506 -172.727 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.44 -64.67 0.81 Allowed 'General case' 0 C--O 1.244 0.764 0 O-C-N 124.757 1.285 . . . . 93.680000000000007 110.318 -177.955 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' THR . . . . . 0.499 HG21 ' O ' ' A' ' 131' ' ' HOH . 0.0 OUTLIER -59.61 14.37 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.328 0 N-CA-C 114.796 1.406 . . . . 111.17 114.796 175.718 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.88 ' HB1' ' CB ' ' A' ' 74' ' ' HIS . . . -93.82 55.48 2.15 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 102.146 -3.279 . . . . 99.780000000000001 102.146 148.316 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.746 ' O ' ' CE1' ' A' ' 74' ' ' HIS . 1.3 t -88.83 -62.93 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 128.434 2.693 . . . . 117.48999999999999 105.252 166.403 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.681 ' N ' HG12 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -71.61 147.96 47.06 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.632 -1.167 . . . . 134.22999999999999 108.217 -179.508 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.683 ' O ' ' CE1' ' A' ' 74' ' ' HIS 0.318 0.5 OUTLIER 70.02 -146.5 0.09 Allowed 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 120.157 3.392 . . . . 161.06 120.157 168.226 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.79 -13.14 68.65 Favored Glycine 0 C--N 1.338 0.644 0 N-CA-C 115.796 1.079 . . . . 157.06 115.796 -174.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.899 ' CD2' ' H ' ' A' ' 75' ' ' GLY . 17.4 p-80 -9.74 -110.11 0.0 OUTLIER 'General case' 0 C--O 1.243 0.722 0 N-CA-C 115.596 1.702 . . . . 154.21000000000001 115.596 171.949 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.899 ' H ' ' CD2' ' A' ' 74' ' ' HIS . . . 19.5 -111.29 0.01 OUTLIER Glycine 0 C--N 1.336 0.578 0 O-C-N 124.596 1.185 . . . . 124.27 114.585 172.268 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.532 ' O ' ' HB2' ' A' ' 80' ' ' GLU . 5.3 tp60 -53.25 -42.92 66.93 Favored 'General case' 0 C--O 1.244 0.798 0 N-CA-C 114.161 1.171 . . . . 131.13999999999999 114.161 -166.855 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.461 ' O ' ' HG2' ' A' ' 81' ' ' GLU . . . -65.9 -45.92 80.2 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.519 0.933 . . . . 108.14 113.519 -177.784 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.23 -46.94 86.63 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.51 0.671 . . . . 88.859999999999999 111.089 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.1 mt -59.0 -54.64 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 CA-C-N 114.261 -1.336 . . . . 93.409999999999997 110.101 173.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.532 ' HB2' ' O ' ' A' ' 76' ' ' GLN . 0.7 OUTLIER -57.93 -38.21 75.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.96 0.41 . . . . 140.16999999999999 110.673 -168.802 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 0.5 OUTLIER -87.66 -26.71 22.88 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.613 0.72 . . . . 107.89 112.347 -177.595 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.568 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -56.81 -35.12 68.38 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 107.969 -1.122 . . . . 98.040000000000006 107.969 168.44 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.856 ' O ' HG12 ' A' ' 86' ' ' VAL . 7.6 mm -66.71 -33.98 67.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 N-CA-C 113.793 1.034 . . . . 107.89 113.793 -174.027 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.68 ' HB3' ' HD1' ' A' ' 88' ' ' PHE . 0.8 OUTLIER -66.82 -30.56 70.78 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.836 0.68 . . . . 143.78 112.836 176.54 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -81.02 -0.35 39.27 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 112.62 0.6 . . . . 116.09 112.62 -176.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.856 HG12 ' O ' ' A' ' 83' ' ' ILE . 13.9 p -91.97 -45.05 14.37 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 N-CA-C 107.742 -1.207 . . . . 145.94999999999999 107.742 173.83 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 86' ' ' VAL . 4.2 mmmp? -157.73 117.01 3.26 Favored 'General case' 0 C--O 1.242 0.702 0 O-C-N 123.854 0.721 . . . . 142.63999999999999 111.692 162.115 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.686 ' C ' ' CD2' ' A' ' 88' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.794 0 C-N-CA 124.527 1.131 . . . . 157.97999999999999 110.851 166.742 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . 0.407 ' O ' ' HB3' ' A' ' 87' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . 0.499 ' O ' HG21 ' A' ' 68' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . 0.563 ' O ' ' HD3' ' A' ' 10' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_