data_1a2u_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 1a2u _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 ' 7' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 245' ' ' HOH . 8.5 mt . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 106.392 -1.707 . . . . 55.97 106.392 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' HIS . . . . . 0.446 ' O ' ' O ' ' A' ' 203' ' ' HOH . 39.8 t-80 -133.41 134.42 43.61 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 106.869 -1.53 . . . . 89.0 106.869 -177.651 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -86.81 140.51 29.63 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.132 0.491 . . . . 49.22 110.316 178.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -129.05 142.46 45.26 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.143 -1.058 . . . . 50.55 108.143 179.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -67.5 148.68 79.31 Favored 'Trans proline' 0 CA--C 1.507 -0.827 0 C-N-CA 122.925 2.416 . . . . 38.5 110.947 -179.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.08 160.94 42.88 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 103.623 -2.732 . . . . 39.22 103.623 178.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.7 m -123.19 127.17 48.27 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.301 -1.37 . . . . 37.95 107.301 -179.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.29 131.9 52.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.863 0.363 . . . . 38.85 111.964 -179.428 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.1 mt -107.59 -53.46 6.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 N-CA-C 107.985 -1.117 . . . . 40.12 107.985 177.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -159.98 126.02 4.22 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.425 0.898 . . . . 80.42 113.425 -177.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.34 126.3 30.63 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 106.005 -1.85 . . . . 47.28 106.005 177.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.9 mt -98.46 -55.88 5.67 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.405 0 N-CA-C 112.216 0.45 . . . . 43.42 112.216 -178.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -151.38 -159.94 1.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.113 -1.069 . . . . 47.88 108.113 177.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.4 -41.43 99.53 Favored Glycine 0 C--O 1.221 -0.681 0 C-N-CA 120.032 -1.08 . . . . 29.2 115.299 -178.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.3 p30 -114.1 3.33 15.22 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 118.754 2.872 . . . . 32.9 118.754 -177.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.3 m -130.82 138.15 49.74 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 110.554 -0.165 . . . . 30.47 110.554 179.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' BUC . . . . . 0.59 ' C3 ' ' SG ' ' A' ' 23' ' ' BUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -111.85 130.83 55.69 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 106.996 -1.483 . . . . 70.6 106.996 -179.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.1 mt -132.82 156.08 47.79 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.343 0.592 . . . . 35.28 110.9 -179.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 52.9 tpp -94.35 116.16 28.49 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 100.93 -3.73 . . . . 45.17 100.93 176.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -128.23 127.23 42.47 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.336 -0.616 . . . . 41.4 109.336 -179.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 mptt 51.42 40.11 25.9 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.628 0.727 . . . . 64.34 112.352 -179.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.2 -19.96 39.81 Favored Glycine 0 N--CA 1.44 -1.045 0 C-N-CA 119.551 -1.309 . . . . 53.87 116.14 179.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -121.0 147.83 47.34 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 116.139 1.903 . . . . 89.3 116.139 -179.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -70.96 135.11 26.87 Favored 'Trans proline' 0 C--O 1.237 0.465 0 C-N-CA 123.5 2.8 . . . . 44.25 108.515 179.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.9 mtp -147.3 147.33 30.27 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.208 -1.034 . . . . 55.04 108.208 -178.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.03 134.98 38.41 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 105.92 -1.881 . . . . 42.73 105.92 175.51 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -112.45 146.0 39.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.643 -0.708 . . . . 34.5 111.359 -179.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.7 tpt85 -120.59 129.66 53.85 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 102.676 -3.083 . . . . 31.6 102.676 178.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.74 133.14 49.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.176 0.297 . . . . 35.29 111.602 -179.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.1 mt -70.49 152.27 44.19 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.232 0.827 . . . . 34.2 113.232 178.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 65.5 mt 53.55 14.51 0.6 Allowed 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 120.459 3.503 . . . . 35.44 120.459 176.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 m -140.69 167.26 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.422 0.63 . . . . 35.12 112.514 -179.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -149.45 112.32 4.84 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.235 -0.893 . . . . 39.83 112.11 177.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.4 p -90.24 152.39 45.77 Favored Pre-proline 0 C--O 1.245 0.817 0 N-CA-C 105.042 -2.207 . . . . 38.34 105.042 177.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -56.51 147.62 68.18 Favored 'Trans proline' 0 C--O 1.241 0.636 0 C-N-CA 122.129 1.886 . . . . 45.54 114.844 -179.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -70.93 142.76 51.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.359 -1.291 . . . . 55.44 112.375 -179.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 51.5 p -133.0 -4.44 3.13 Favored 'General case' 0 C--O 1.242 0.675 0 N-CA-C 108.948 -0.76 . . . . 59.38 108.948 177.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.58 -89.83 0.51 Allowed 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.121 -0.945 . . . . 84.37 112.964 -178.897 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HIS . . . . . 0.697 ' HD1' ' H ' ' A' ' 48' ' ' LYS . 24.5 t-80 -31.74 118.1 0.38 Allowed Pre-proline 0 C--N 1.329 -0.296 0 N-CA-C 118.045 2.609 . . . . 66.5 118.045 -177.434 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_exo -56.33 -29.16 75.6 Favored 'Trans proline' 0 C--N 1.344 0.341 1 C-N-CA 125.542 4.161 . . . . 63.85 114.521 -179.86 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . 0.697 ' H ' ' HD1' ' A' ' 46' ' ' HIS . 3.0 tmmt? -68.23 -14.33 62.91 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.872 0.693 . . . . 93.6 112.872 179.777 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -120.01 -31.64 4.4 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 109.517 -0.549 . . . . 77.08 109.517 178.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.84 -169.44 54.98 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 109.005 -1.638 . . . . 75.45 109.005 179.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 92.4 t -84.63 105.3 13.68 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 N-CA-C 104.941 -2.244 . . . . 66.43 104.941 178.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -82.98 156.34 23.49 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.659 -0.7 . . . . 74.34 110.188 -179.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' CE ' ' H ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -60.68 134.53 57.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.728 -0.669 . . . . 76.08 110.574 -179.741 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' TYR . . . . . 0.41 ' H ' ' CE ' ' A' ' 53' ' ' LYS . 69.4 m-85 79.22 -2.86 2.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.084 -0.962 . . . . 52.23 112.029 -179.403 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.12 -55.03 33.12 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 110.13 -1.188 . . . . 44.55 110.13 178.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -64.12 -31.72 64.64 Favored 'Trans proline' 0 CA--C 1.519 -0.259 0 C-N-CA 122.247 1.965 . . . . 36.04 112.265 179.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -67.08 -48.79 67.12 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 108.919 -0.771 . . . . 66.07 108.919 178.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.16 95.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.747 -0.66 . . . . 35.11 109.746 179.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.1 m -58.39 -44.38 88.94 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.09 -0.644 . . . . 44.85 111.113 179.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.12 -42.5 93.88 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 112.949 0.722 . . . . 45.1 112.949 -177.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -58.46 -51.09 71.32 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.374 -0.602 . . . . 41.49 109.374 179.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.8 m -60.54 -50.19 74.54 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.526 0.679 . . . . 34.92 112.397 179.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -54.04 -52.83 59.63 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.804 -0.635 . . . . 63.52 109.872 -179.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.63 -51.98 65.37 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.312 0.577 . . . . 72.77 110.291 -179.528 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.1 ttt -56.73 -44.48 81.71 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 115.015 1.487 . . . . 41.43 115.015 -178.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.3 m -82.63 -26.48 8.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 114.44 1.274 . . . . 36.52 114.44 -178.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -79.22 -26.18 42.58 Favored 'General case' 0 CA--C 1.505 -0.761 0 N-CA-C 112.96 0.726 . . . . 58.4 112.96 -179.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -94.72 4.88 53.3 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.219 0.822 . . . . 58.66 113.219 -179.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.73 147.67 28.31 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.165 0.507 . . . . 46.31 111.453 -179.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -88.19 -35.24 17.48 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 106.164 -1.791 . . . . 41.36 106.164 177.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -132.23 135.74 46.5 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 114.097 1.147 . . . . 36.41 114.097 -178.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 33.7 mt -121.72 141.45 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 N-CA-C 106.468 -1.679 . . . . 35.02 106.468 176.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -137.81 144.12 41.36 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.839 -0.619 . . . . 48.72 110.293 -179.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.3 m -112.58 143.22 22.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 N-CA-C 106.285 -1.746 . . . . 36.93 106.285 178.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -135.02 105.01 6.17 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.121 -1.066 . . . . 40.12 108.121 -178.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -74.84 156.97 35.89 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 107.179 -1.415 . . . . 34.63 107.179 -179.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -93.2 -164.07 1.13 Allowed 'General case' 0 C--O 1.24 0.566 0 N-CA-C 106.549 -1.649 . . . . 35.71 106.549 177.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LYS . . . . . 0.84 ' HZ3' ' HG1' ' A' ' 120' ' ' THR . 16.3 pttm -91.16 -1.6 57.7 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 118.801 2.889 . . . . 84.42 118.801 -177.262 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -105.93 -140.78 10.17 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.761 -0.936 . . . . 33.92 110.761 178.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.86 144.33 57.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.882 0.848 . . . . 48.69 112.642 179.47 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ARG . . . . . 0.473 ' CG ' HH11 ' A' ' 81' ' ' ARG . 19.2 mtt85 -98.12 -6.19 32.09 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 114.138 1.162 . . . . 78.5 114.138 -178.271 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 46.8 p -137.85 152.79 49.43 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.027 -0.731 . . . . 35.89 109.027 178.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -97.69 -179.35 4.42 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 107.497 -1.297 . . . . 35.79 107.497 176.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LYS . . . . . 0.572 ' HZ3' ' P1 ' ' A' ' 151' ' ' THP . 17.2 pttp -56.1 -23.44 34.14 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 117.616 2.451 . . . . 57.13 117.616 -179.389 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -92.12 7.88 40.41 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.902 0.334 . . . . 36.15 111.902 179.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.77 14.14 82.37 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.178 -1.01 . . . . 31.92 115.391 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -85.06 137.83 32.81 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 117.372 0.586 . . . . 32.79 111.191 179.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -70.53 134.73 24.55 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 109.073 -1.611 . . . . 30.78 109.073 178.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.0 mt -103.76 109.46 21.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.017 0.408 . . . . 30.55 110.247 -179.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -154.09 175.42 13.45 Favored 'General case' 0 C--O 1.248 0.981 0 N-CA-C 116.408 2.003 . . . . 34.82 116.408 -177.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -100.94 124.65 46.96 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 100.936 -3.728 . . . . 30.13 100.936 175.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 95.1 mt -110.86 132.16 60.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 C-N-CA 119.193 -1.003 . . . . 34.32 110.567 -178.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -110.99 133.29 53.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.114 -0.948 . . . . 32.44 112.565 -179.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -114.74 110.82 20.31 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 103.85 -2.648 . . . . 31.54 103.85 178.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 51.24 47.76 24.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 122.234 1.016 . . . . 44.72 110.564 -177.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.58 -1.38 61.84 Favored Glycine 0 N--CA 1.44 -1.036 0 CA-C-N 114.088 -1.415 . . . . 38.88 116.389 178.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -104.27 127.35 51.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 118.456 1.128 . . . . 68.54 110.559 179.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 21.4 ttm -72.26 114.66 10.61 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 113.54 0.941 . . . . 31.18 113.54 -178.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.8 t -58.04 -39.65 73.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 112.234 0.457 . . . . 32.06 112.234 179.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.73 -49.54 72.78 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.768 0.318 . . . . 29.26 110.6 -178.766 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.7 tm-20 -68.4 -44.56 74.79 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.935 -0.575 . . . . 48.79 111.213 -179.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.9 -50.48 34.87 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 122.664 0.386 . . . . 35.2 110.988 178.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 39.2 mt -62.11 -44.78 95.9 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.489 0.662 . . . . 35.05 112.37 -179.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.7 t -63.02 -43.39 99.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.137 -0.69 . . . . 34.84 109.137 -179.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ARG . . . . . 0.468 HH21 ' H2 ' ' A' ' 246' ' ' HOH . 38.1 tpt85 -58.28 -33.07 69.04 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 113.807 1.04 . . . . 40.73 113.807 -179.229 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -87.36 -1.86 58.22 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.309 0.855 . . . . 42.35 113.309 179.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 72.69 32.15 61.85 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 119.298 -1.429 . . . . 36.28 110.571 -178.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 74.1 mt -108.19 2.74 23.04 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.112 0.782 . . . . 38.24 113.112 178.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -158.15 155.76 29.68 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.772 -1.196 . . . . 37.04 107.772 179.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.02 151.36 30.74 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 105.672 -1.973 . . . . 67.45 105.672 178.646 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 45.2 t -74.56 120.45 23.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 N-CA-C 103.005 -2.961 . . . . 41.5 103.005 176.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -146.92 173.0 12.83 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 120.92 0.391 . . . . 39.96 110.949 -178.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 50.6 51.91 15.94 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 124.27 1.028 . . . . 36.61 113.253 178.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 41.7 t -84.23 91.21 2.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.756 -0.657 . . . . 44.24 110.281 -179.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -105.3 127.79 53.13 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 108.828 -0.805 . . . . 49.59 108.828 179.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -79.2 150.44 74.29 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 106.9 -1.519 . . . . 82.09 106.9 178.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -90.43 20.53 33.02 Favored 'Cis proline' 0 CA--C 1.54 0.803 0 O-C-N 121.818 0.378 . . . . 41.93 112.952 -0.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -86.26 62.63 7.54 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.854 -0.424 . . . . 36.18 109.854 179.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 41.4 p-10 -143.4 24.4 1.76 Allowed 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 115.968 1.84 . . . . 52.7 115.968 -178.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' THR . . . . . 0.84 ' HG1' ' HZ3' ' A' ' 78' ' ' LYS . 92.0 m -47.89 -41.33 24.17 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 115.687 1.736 . . . . 38.34 115.687 -179.533 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -99.32 16.65 22.31 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 115.69 1.737 . . . . 39.88 115.69 -178.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -54.63 -49.7 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 116.236 1.939 . . . . 50.97 116.236 -178.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -66.75 -34.42 77.81 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.607 0.595 . . . . 64.95 112.607 -178.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HIS . . . . . 0.557 ' CE1' ' HZ2' ' A' ' 127' ' ' LYS . 59.4 t60 -63.26 -51.04 67.79 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 108.857 -0.794 . . . . 44.77 108.857 178.214 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.7 -33.44 75.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.686 0.755 . . . . 35.29 110.695 179.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 67.4 mtt-85 -67.06 -43.95 81.39 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 118.84 -1.144 . . . . 56.73 111.285 179.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' LYS . . . . . 0.557 ' HZ2' ' CE1' ' A' ' 124' ' ' HIS . 3.5 pttp -61.83 -33.51 74.28 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 119.081 -1.048 . . . . 63.35 110.872 -179.979 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 73.6 m -72.27 -32.89 67.04 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 120.53 -0.468 . . . . 43.66 110.854 179.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -70.19 -36.92 74.97 Favored 'General case' 0 C--O 1.246 0.874 0 CA-C-O 120.52 0.2 . . . . 41.55 110.684 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.88 97.66 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 109.054 -0.721 . . . . 34.07 109.054 178.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -65.77 -43.02 90.07 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.841 -0.618 . . . . 46.81 111.552 179.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.44 -40.85 96.54 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 109.83 -0.434 . . . . 41.81 109.83 178.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -63.29 -49.66 73.16 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 108.613 -0.884 . . . . 65.34 108.613 178.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -51.68 -38.79 56.57 Favored 'General case' 0 C--O 1.226 -0.152 0 C-N-CA 125.571 1.548 . . . . 78.45 110.411 178.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -92.97 3.97 54.81 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.067 -0.515 . . . . 44.77 111.827 179.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm 52.9 43.58 31.42 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 123.658 0.783 . . . . 87.03 112.23 178.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 69.3 mt -78.88 135.75 37.1 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 114.64 1.348 . . . . 42.37 114.64 -179.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 36.82 -105.39 0.04 OUTLIER 'General case' 0 C--O 1.22 -0.487 0 N-CA-C 115.372 1.619 . . . . 51.53 115.372 176.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 13.4 mt -47.74 -27.74 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 122.371 0.268 . . . . 44.54 111.63 179.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -96.46 8.17 44.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 116.067 1.877 . . . . 56.88 116.067 -178.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 67.4 p . . . . . 0 C--O 1.251 1.17 0 CA-C-O 117.983 -1.008 . . . . 68.4 108.824 179.74 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' ' CA' . . . . . 0.838 'CA ' ' O ' ' A' ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' THP . . . . . 0.572 ' P1 ' ' HZ3' ' A' ' 84' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.446 ' O ' ' O ' ' A' ' 8' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 243' ' ' HOH . . . . . 0.838 ' O ' 'CA ' ' A' ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 245' ' ' HOH . . . . . 0.481 ' O ' ' N ' ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 246' ' ' HOH . . . . . 0.468 ' H2 ' HH21 ' A' ' 105' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 245' ' ' HOH . 8.5 mt . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 106.392 -1.707 . . . . 55.97 106.392 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -133.41 134.42 43.61 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 106.869 -1.53 . . . . 89.0 106.869 -177.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -86.81 140.51 29.63 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.132 0.491 . . . . 49.22 110.316 178.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -129.05 142.46 45.26 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.143 -1.058 . . . . 50.55 108.143 179.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -67.5 148.68 79.31 Favored 'Trans proline' 0 CA--C 1.507 -0.827 0 C-N-CA 122.925 2.416 . . . . 38.5 110.947 -179.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.08 160.94 42.88 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 103.623 -2.732 . . . . 39.22 103.623 178.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.7 m -123.19 127.17 48.27 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.301 -1.37 . . . . 37.95 107.301 -179.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . 0.432 ' HB2' HD12 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -60.29 131.9 52.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.863 0.363 . . . . 38.85 111.964 -179.428 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.1 mt -107.59 -53.46 6.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 N-CA-C 107.985 -1.117 . . . . 40.12 107.985 177.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -159.98 126.02 4.22 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.425 0.898 . . . . 80.42 113.425 -177.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.34 126.3 30.63 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 106.005 -1.85 . . . . 47.28 106.005 177.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.9 mt -98.46 -55.88 5.67 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.405 0 N-CA-C 112.216 0.45 . . . . 43.42 112.216 -178.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -151.38 -159.94 1.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.113 -1.069 . . . . 47.88 108.113 177.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.4 -41.43 99.53 Favored Glycine 0 C--O 1.221 -0.681 0 C-N-CA 120.032 -1.08 . . . . 29.2 115.299 -178.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.3 p30 -114.1 3.33 15.22 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 118.754 2.872 . . . . 32.9 118.754 -177.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.3 m -130.82 138.15 49.74 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 110.554 -0.165 . . . . 30.47 110.554 179.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' BUC . . . . . 0.943 ' H21' HG11 ' A' ' 66' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -111.85 130.83 55.69 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 106.996 -1.483 . . . . 70.6 106.996 -179.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . 0.465 HD21 ' C4 ' ' A' ' 23' ' ' BUC . 37.1 mt -132.82 156.08 47.79 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.343 0.592 . . . . 35.28 110.9 -179.223 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 52.9 tpp -94.35 116.16 28.49 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 100.93 -3.73 . . . . 45.17 100.93 176.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' TYR . . . . . 0.616 ' CE1' ' HD3' ' A' ' 28' ' ' LYS . 57.8 t80 -128.23 127.23 42.47 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.336 -0.616 . . . . 41.4 109.336 -179.415 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . 0.616 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 8.3 mptt 51.42 40.11 25.9 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.628 0.727 . . . . 64.34 112.352 -179.129 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.2 -19.96 39.81 Favored Glycine 0 N--CA 1.44 -1.045 0 C-N-CA 119.551 -1.309 . . . . 53.87 116.14 179.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -121.0 147.83 47.34 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 116.139 1.903 . . . . 89.3 116.139 -179.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -70.96 135.11 26.87 Favored 'Trans proline' 0 C--O 1.237 0.465 0 C-N-CA 123.5 2.8 . . . . 44.25 108.515 179.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.9 mtp -147.3 147.33 30.27 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.208 -1.034 . . . . 55.04 108.208 -178.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.03 134.98 38.41 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 105.92 -1.881 . . . . 42.73 105.92 175.51 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -112.45 146.0 39.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.643 -0.708 . . . . 34.5 111.359 -179.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.7 tpt85 -120.59 129.66 53.85 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 102.676 -3.083 . . . . 31.6 102.676 178.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.74 133.14 49.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.176 0.297 . . . . 35.29 111.602 -179.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.1 mt -70.49 152.27 44.19 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.232 0.827 . . . . 34.2 113.232 178.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 65.5 mt 53.55 14.51 0.6 Allowed 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 120.459 3.503 . . . . 35.44 120.459 176.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 m -140.69 167.26 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.422 0.63 . . . . 35.12 112.514 -179.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -149.45 112.32 4.84 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.235 -0.893 . . . . 39.83 112.11 177.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.4 p -90.24 152.39 45.77 Favored Pre-proline 0 C--O 1.245 0.817 0 N-CA-C 105.042 -2.207 . . . . 38.34 105.042 177.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PRO . . . . . 0.435 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . 78.8 Cg_exo -56.51 147.62 68.18 Favored 'Trans proline' 0 C--O 1.241 0.636 0 C-N-CA 122.129 1.886 . . . . 45.54 114.844 -179.757 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -70.93 142.76 51.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.359 -1.291 . . . . 55.44 112.375 -179.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 51.5 p -133.0 -4.44 3.13 Favored 'General case' 0 C--O 1.242 0.675 0 N-CA-C 108.948 -0.76 . . . . 59.38 108.948 177.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.58 -89.83 0.51 Allowed 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.121 -0.945 . . . . 84.37 112.964 -178.897 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -31.74 118.1 0.38 Allowed Pre-proline 0 C--N 1.329 -0.296 0 N-CA-C 118.045 2.609 . . . . 66.5 118.045 -177.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_exo -56.33 -29.16 75.6 Favored 'Trans proline' 0 C--N 1.344 0.341 1 C-N-CA 125.542 4.161 . . . . 63.85 114.521 -179.86 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 tmmt? -68.23 -14.33 62.91 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.872 0.693 . . . . 93.6 112.872 179.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -120.01 -31.64 4.4 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 109.517 -0.549 . . . . 77.08 109.517 178.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.84 -169.44 54.98 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 109.005 -1.638 . . . . 75.45 109.005 179.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 92.4 t -84.63 105.3 13.68 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 N-CA-C 104.941 -2.244 . . . . 66.43 104.941 178.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -82.98 156.34 23.49 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.659 -0.7 . . . . 74.34 110.188 -179.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LYS . . . . . 0.753 ' HE2' ' H ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -60.68 134.53 57.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.728 -0.669 . . . . 76.08 110.574 -179.741 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 54' ' ' TYR . . . . . 0.753 ' H ' ' HE2' ' A' ' 53' ' ' LYS . 69.4 m-85 79.22 -2.86 2.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.084 -0.962 . . . . 52.23 112.029 -179.403 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLY . . . . . 0.435 ' HA2' ' HB2' ' A' ' 42' ' ' PRO . . . -59.12 -55.03 33.12 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 110.13 -1.188 . . . . 44.55 110.13 178.453 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -64.12 -31.72 64.64 Favored 'Trans proline' 0 CA--C 1.519 -0.259 0 C-N-CA 122.247 1.965 . . . . 36.04 112.265 179.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -67.08 -48.79 67.12 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 108.919 -0.771 . . . . 66.07 108.919 178.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.16 95.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.747 -0.66 . . . . 35.11 109.746 179.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.1 m -58.39 -44.38 88.94 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.09 -0.644 . . . . 44.85 111.113 179.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ALA . . . . . 0.514 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -65.12 -42.5 93.88 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 112.949 0.722 . . . . 45.1 112.949 -177.87 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -58.46 -51.09 71.32 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.374 -0.602 . . . . 41.49 109.374 179.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.8 m -60.54 -50.19 74.54 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.526 0.679 . . . . 34.92 112.397 179.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -54.04 -52.83 59.63 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.804 -0.635 . . . . 63.52 109.872 -179.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 0.9 OUTLIER -55.63 -51.98 65.37 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.312 0.577 . . . . 72.77 110.291 -179.528 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.1 ttt -56.73 -44.48 81.71 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 115.015 1.487 . . . . 41.43 115.015 -178.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . 0.943 HG11 ' H21' ' A' ' 23' ' ' BUC . 9.3 m -82.63 -26.48 8.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 114.44 1.274 . . . . 36.52 114.44 -178.222 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -79.22 -26.18 42.58 Favored 'General case' 0 CA--C 1.505 -0.761 0 N-CA-C 112.96 0.726 . . . . 58.4 112.96 -179.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -94.72 4.88 53.3 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.219 0.822 . . . . 58.66 113.219 -179.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.73 147.67 28.31 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.165 0.507 . . . . 46.31 111.453 -179.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -88.19 -35.24 17.48 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 106.164 -1.791 . . . . 41.36 106.164 177.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -132.23 135.74 46.5 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 114.097 1.147 . . . . 36.41 114.097 -178.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ILE . . . . . 0.432 HD12 ' HB2' ' A' ' 14' ' ' LEU . 33.7 mt -121.72 141.45 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 N-CA-C 106.468 -1.679 . . . . 35.02 106.468 176.663 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -137.81 144.12 41.36 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.839 -0.619 . . . . 48.72 110.293 -179.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.3 m -112.58 143.22 22.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 N-CA-C 106.285 -1.746 . . . . 36.93 106.285 178.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -135.02 105.01 6.17 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.121 -1.066 . . . . 40.12 108.121 -178.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -74.84 156.97 35.89 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 107.179 -1.415 . . . . 34.63 107.179 -179.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -93.2 -164.07 1.13 Allowed 'General case' 0 C--O 1.24 0.566 0 N-CA-C 106.549 -1.649 . . . . 35.71 106.549 177.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.3 pttm -91.16 -1.6 57.7 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 118.801 2.889 . . . . 84.42 118.801 -177.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -105.93 -140.78 10.17 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.761 -0.936 . . . . 33.92 110.761 178.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLN . . . . . 0.732 ' HG3' ' O ' ' A' ' 236' ' ' HOH . 0.0 OUTLIER -64.86 144.33 57.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.882 0.848 . . . . 48.69 112.642 179.47 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ARG . . . . . 0.602 HH11 ' HG3' ' A' ' 81' ' ' ARG . 19.2 mtt85 -98.12 -6.19 32.09 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 114.138 1.162 . . . . 78.5 114.138 -178.271 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 46.8 p -137.85 152.79 49.43 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.027 -0.731 . . . . 35.89 109.027 178.186 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -97.69 -179.35 4.42 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 107.497 -1.297 . . . . 35.79 107.497 176.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -56.1 -23.44 34.14 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 117.616 2.451 . . . . 57.13 117.616 -179.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -92.12 7.88 40.41 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.902 0.334 . . . . 36.15 111.902 179.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.77 14.14 82.37 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.178 -1.01 . . . . 31.92 115.391 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ARG . . . . . 0.451 ' O ' ' HA ' ' A' ' 82' ' ' THR . 84.5 mtm180 -85.06 137.83 32.81 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 117.372 0.586 . . . . 32.79 111.191 179.567 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -70.53 134.73 24.55 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 109.073 -1.611 . . . . 30.78 109.073 178.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.0 mt -103.76 109.46 21.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.017 0.408 . . . . 30.55 110.247 -179.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -154.09 175.42 13.45 Favored 'General case' 0 C--O 1.248 0.981 0 N-CA-C 116.408 2.003 . . . . 34.82 116.408 -177.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -100.94 124.65 46.96 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 100.936 -3.728 . . . . 30.13 100.936 175.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ILE . . . . . 0.701 HG21 ' H32' ' A' ' 23' ' ' BUC . 95.1 mt -110.86 132.16 60.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 C-N-CA 119.193 -1.003 . . . . 34.32 110.567 -178.414 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -110.99 133.29 53.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.114 -0.948 . . . . 32.44 112.565 -179.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -114.74 110.82 20.31 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 103.85 -2.648 . . . . 31.54 103.85 178.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 51.24 47.76 24.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 122.234 1.016 . . . . 44.72 110.564 -177.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.58 -1.38 61.84 Favored Glycine 0 N--CA 1.44 -1.036 0 CA-C-N 114.088 -1.415 . . . . 38.88 116.389 178.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -104.27 127.35 51.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 118.456 1.128 . . . . 68.54 110.559 179.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 21.4 ttm -72.26 114.66 10.61 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 113.54 0.941 . . . . 31.18 113.54 -178.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.8 t -58.04 -39.65 73.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 112.234 0.457 . . . . 32.06 112.234 179.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.73 -49.54 72.78 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.768 0.318 . . . . 29.26 110.6 -178.766 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLU . . . . . 0.575 ' HG3' ' NE2' ' A' ' 124' ' ' HIS . 16.7 tm-20 -68.4 -44.56 74.79 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.935 -0.575 . . . . 48.79 111.213 -179.755 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.9 -50.48 34.87 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 122.664 0.386 . . . . 35.2 110.988 178.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 39.2 mt -62.11 -44.78 95.9 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.489 0.662 . . . . 35.05 112.37 -179.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.7 t -63.02 -43.39 99.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.137 -0.69 . . . . 34.84 109.137 -179.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 38.1 tpt85 -58.28 -33.07 69.04 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 113.807 1.04 . . . . 40.73 113.807 -179.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -87.36 -1.86 58.22 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.309 0.855 . . . . 42.35 113.309 179.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLY . . . . . 0.489 ' O ' ' HB2' ' A' ' 138' ' ' ASN . . . 72.69 32.15 61.85 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 119.298 -1.429 . . . . 36.28 110.571 -178.427 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 74.1 mt -108.19 2.74 23.04 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.112 0.782 . . . . 38.24 113.112 178.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -158.15 155.76 29.68 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.772 -1.196 . . . . 37.04 107.772 179.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.02 151.36 30.74 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 105.672 -1.973 . . . . 67.45 105.672 178.646 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 45.2 t -74.56 120.45 23.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 N-CA-C 103.005 -2.961 . . . . 41.5 103.005 176.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -146.92 173.0 12.83 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 120.92 0.391 . . . . 39.96 110.949 -178.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 50.6 51.91 15.94 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 124.27 1.028 . . . . 36.61 113.253 178.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 41.7 t -84.23 91.21 2.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.756 -0.657 . . . . 44.24 110.281 -179.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -105.3 127.79 53.13 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 108.828 -0.805 . . . . 49.59 108.828 179.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -79.2 150.44 74.29 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 106.9 -1.519 . . . . 82.09 106.9 178.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -90.43 20.53 33.02 Favored 'Cis proline' 0 CA--C 1.54 0.803 0 O-C-N 121.818 0.378 . . . . 41.93 112.952 -0.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -86.26 62.63 7.54 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.854 -0.424 . . . . 36.18 109.854 179.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 41.4 p-10 -143.4 24.4 1.76 Allowed 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 115.968 1.84 . . . . 52.7 115.968 -178.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 92.0 m -47.89 -41.33 24.17 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 115.687 1.736 . . . . 38.34 115.687 -179.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -99.32 16.65 22.31 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 115.69 1.737 . . . . 39.88 115.69 -178.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -54.63 -49.7 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 116.236 1.939 . . . . 50.97 116.236 -178.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -66.75 -34.42 77.81 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.607 0.595 . . . . 64.95 112.607 -178.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HIS . . . . . 0.575 ' NE2' ' HG3' ' A' ' 101' ' ' GLU . 59.4 t60 -63.26 -51.04 67.79 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 108.857 -0.794 . . . . 44.77 108.857 178.214 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.7 -33.44 75.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.686 0.755 . . . . 35.29 110.695 179.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 67.4 mtt-85 -67.06 -43.95 81.39 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 118.84 -1.144 . . . . 56.73 111.285 179.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.5 pttp -61.83 -33.51 74.28 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 119.081 -1.048 . . . . 63.35 110.872 -179.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 73.6 m -72.27 -32.89 67.04 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 120.53 -0.468 . . . . 43.66 110.854 179.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -70.19 -36.92 74.97 Favored 'General case' 0 C--O 1.246 0.874 0 CA-C-O 120.52 0.2 . . . . 41.55 110.684 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.88 97.66 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 109.054 -0.721 . . . . 34.07 109.054 178.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -65.77 -43.02 90.07 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.841 -0.618 . . . . 46.81 111.552 179.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.44 -40.85 96.54 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 109.83 -0.434 . . . . 41.81 109.83 178.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' LYS . . . . . 0.447 ' HG3' ' CD2' ' A' ' 140' ' ' TRP . 20.3 mtpt -63.29 -49.66 73.16 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 108.613 -0.884 . . . . 65.34 108.613 178.513 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -51.68 -38.79 56.57 Favored 'General case' 0 C--O 1.226 -0.152 0 C-N-CA 125.571 1.548 . . . . 78.45 110.411 178.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -92.97 3.97 54.81 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.067 -0.515 . . . . 44.77 111.827 179.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm 52.9 43.58 31.42 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 123.658 0.783 . . . . 87.03 112.23 178.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 69.3 mt -78.88 135.75 37.1 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 114.64 1.348 . . . . 42.37 114.64 -179.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' ASN . . . . . 0.489 ' HB2' ' O ' ' A' ' 107' ' ' GLY . 69.7 m-80 36.82 -105.39 0.04 OUTLIER 'General case' 0 C--O 1.22 -0.487 0 N-CA-C 115.372 1.619 . . . . 51.53 115.372 176.574 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 13.4 mt -47.74 -27.74 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 122.371 0.268 . . . . 44.54 111.63 179.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' TRP . . . . . 0.447 ' CD2' ' HG3' ' A' ' 133' ' ' LYS . 55.7 m95 -96.46 8.17 44.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 116.067 1.877 . . . . 56.88 116.067 -178.511 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 67.4 p . . . . . 0 C--O 1.251 1.17 0 CA-C-O 117.983 -1.008 . . . . 68.4 108.824 179.74 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' ' CA' . . . . . 0.838 'CA ' ' O ' ' A' ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 151' ' ' THP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . 0.732 ' O ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 243' ' ' HOH . . . . . 0.838 ' O ' 'CA ' ' A' ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 245' ' ' HOH . . . . . 0.481 ' O ' ' N ' ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 245' ' ' HOH . 8.5 mt . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 106.392 -1.707 . . . . 55.97 106.392 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -133.41 134.42 43.61 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 106.869 -1.53 . . . . 89.0 106.869 -177.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -86.81 140.51 29.63 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.132 0.491 . . . . 49.22 110.316 178.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -129.05 142.46 45.26 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.143 -1.058 . . . . 50.55 108.143 179.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -67.5 148.68 79.31 Favored 'Trans proline' 0 CA--C 1.507 -0.827 0 C-N-CA 122.925 2.416 . . . . 38.5 110.947 -179.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -149.08 160.94 42.88 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 103.623 -2.732 . . . . 39.22 103.623 178.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.7 m -123.19 127.17 48.27 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.301 -1.37 . . . . 37.95 107.301 -179.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.432 ' HB2' HD12 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -60.29 131.9 52.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.863 0.363 . . . . 38.85 111.964 -179.428 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.1 mt -107.59 -53.46 6.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 N-CA-C 107.985 -1.117 . . . . 40.12 107.985 177.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -159.98 126.02 4.22 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.425 0.898 . . . . 80.42 113.425 -177.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.34 126.3 30.63 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 106.005 -1.85 . . . . 47.28 106.005 177.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.9 mt -98.46 -55.88 5.67 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.405 0 N-CA-C 112.216 0.45 . . . . 43.42 112.216 -178.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -151.38 -159.94 1.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.113 -1.069 . . . . 47.88 108.113 177.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.4 -41.43 99.53 Favored Glycine 0 C--O 1.221 -0.681 0 C-N-CA 120.032 -1.08 . . . . 29.2 115.299 -178.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.3 p30 -114.1 3.33 15.22 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 118.754 2.872 . . . . 32.9 118.754 -177.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.3 m -130.82 138.15 49.74 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 110.554 -0.165 . . . . 30.47 110.554 179.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' BUC . . . . . 0.943 ' H21' HG11 ' A' ' 66' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -111.85 130.83 55.69 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 106.996 -1.483 . . . . 70.6 106.996 -179.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.465 HD21 ' C4 ' ' A' ' 23' ' ' BUC . 37.1 mt -132.82 156.08 47.79 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.343 0.592 . . . . 35.28 110.9 -179.223 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 52.9 tpp -94.35 116.16 28.49 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 100.93 -3.73 . . . . 45.17 100.93 176.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.616 ' CE1' ' HD3' ' A' ' 28' ' ' LYS . 57.8 t80 -128.23 127.23 42.47 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.336 -0.616 . . . . 41.4 109.336 -179.415 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.616 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 8.3 mptt 51.42 40.11 25.9 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.628 0.727 . . . . 64.34 112.352 -179.129 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.2 -19.96 39.81 Favored Glycine 0 N--CA 1.44 -1.045 0 C-N-CA 119.551 -1.309 . . . . 53.87 116.14 179.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -121.0 147.83 47.34 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 116.139 1.903 . . . . 89.3 116.139 -179.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -70.96 135.11 26.87 Favored 'Trans proline' 0 C--O 1.237 0.465 0 C-N-CA 123.5 2.8 . . . . 44.25 108.515 179.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.9 mtp -147.3 147.33 30.27 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.208 -1.034 . . . . 55.04 108.208 -178.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.03 134.98 38.41 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 105.92 -1.881 . . . . 42.73 105.92 175.51 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -112.45 146.0 39.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.643 -0.708 . . . . 34.5 111.359 -179.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.7 tpt85 -120.59 129.66 53.85 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 102.676 -3.083 . . . . 31.6 102.676 178.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.74 133.14 49.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.176 0.297 . . . . 35.29 111.602 -179.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.1 mt -70.49 152.27 44.19 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.232 0.827 . . . . 34.2 113.232 178.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 65.5 mt 53.55 14.51 0.6 Allowed 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 120.459 3.503 . . . . 35.44 120.459 176.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 m -140.69 167.26 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.422 0.63 . . . . 35.12 112.514 -179.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -149.45 112.32 4.84 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.235 -0.893 . . . . 39.83 112.11 177.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.4 p -90.24 152.39 45.77 Favored Pre-proline 0 C--O 1.245 0.817 0 N-CA-C 105.042 -2.207 . . . . 38.34 105.042 177.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.435 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . 78.8 Cg_exo -56.51 147.62 68.18 Favored 'Trans proline' 0 C--O 1.241 0.636 0 C-N-CA 122.129 1.886 . . . . 45.54 114.844 -179.757 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -70.93 142.76 51.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.359 -1.291 . . . . 55.44 112.375 -179.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 51.5 p -133.0 -4.44 3.13 Favored 'General case' 0 C--O 1.242 0.675 0 N-CA-C 108.948 -0.76 . . . . 59.38 108.948 177.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.58 -89.83 0.51 Allowed 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.121 -0.945 . . . . 84.37 112.964 -178.897 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -31.74 118.1 0.38 Allowed Pre-proline 0 C--N 1.329 -0.296 0 N-CA-C 118.045 2.609 . . . . 66.5 118.045 -177.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_exo -56.33 -29.16 75.6 Favored 'Trans proline' 0 C--N 1.344 0.341 1 C-N-CA 125.542 4.161 . . . . 63.85 114.521 -179.86 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 tmmt? -68.23 -14.33 62.91 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.872 0.693 . . . . 93.6 112.872 179.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -120.01 -31.64 4.4 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 109.517 -0.549 . . . . 77.08 109.517 178.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.84 -169.44 54.98 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 109.005 -1.638 . . . . 75.45 109.005 179.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 92.4 t -84.63 105.3 13.68 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 N-CA-C 104.941 -2.244 . . . . 66.43 104.941 178.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -82.98 156.34 23.49 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 115.659 -0.7 . . . . 74.34 110.188 -179.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.753 ' HE2' ' H ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -60.68 134.53 57.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.728 -0.669 . . . . 76.08 110.574 -179.741 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.753 ' H ' ' HE2' ' A' ' 53' ' ' LYS . 69.4 m-85 79.22 -2.86 2.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.084 -0.962 . . . . 52.23 112.029 -179.403 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.435 ' HA2' ' HB2' ' A' ' 42' ' ' PRO . . . -59.12 -55.03 33.12 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 110.13 -1.188 . . . . 44.55 110.13 178.453 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -64.12 -31.72 64.64 Favored 'Trans proline' 0 CA--C 1.519 -0.259 0 C-N-CA 122.247 1.965 . . . . 36.04 112.265 179.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -67.08 -48.79 67.12 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 108.919 -0.771 . . . . 66.07 108.919 178.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.16 95.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.747 -0.66 . . . . 35.11 109.746 179.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.1 m -58.39 -44.38 88.94 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.09 -0.644 . . . . 44.85 111.113 179.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.514 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -65.12 -42.5 93.88 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 112.949 0.722 . . . . 45.1 112.949 -177.87 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -58.46 -51.09 71.32 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.374 -0.602 . . . . 41.49 109.374 179.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.8 m -60.54 -50.19 74.54 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.526 0.679 . . . . 34.92 112.397 179.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -54.04 -52.83 59.63 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.804 -0.635 . . . . 63.52 109.872 -179.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 0.9 OUTLIER -55.63 -51.98 65.37 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.312 0.577 . . . . 72.77 110.291 -179.528 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.1 ttt -56.73 -44.48 81.71 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 115.015 1.487 . . . . 41.43 115.015 -178.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.943 HG11 ' H21' ' A' ' 23' ' ' BUC . 9.3 m -82.63 -26.48 8.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 114.44 1.274 . . . . 36.52 114.44 -178.222 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -79.22 -26.18 42.58 Favored 'General case' 0 CA--C 1.505 -0.761 0 N-CA-C 112.96 0.726 . . . . 58.4 112.96 -179.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -94.72 4.88 53.3 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.219 0.822 . . . . 58.66 113.219 -179.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.73 147.67 28.31 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.165 0.507 . . . . 46.31 111.453 -179.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -88.19 -35.24 17.48 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 106.164 -1.791 . . . . 41.36 106.164 177.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -132.23 135.74 46.5 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 114.097 1.147 . . . . 36.41 114.097 -178.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.432 HD12 ' HB2' ' A' ' 14' ' ' LEU . 33.7 mt -121.72 141.45 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 N-CA-C 106.468 -1.679 . . . . 35.02 106.468 176.663 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -137.81 144.12 41.36 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.839 -0.619 . . . . 48.72 110.293 -179.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.3 m -112.58 143.22 22.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 N-CA-C 106.285 -1.746 . . . . 36.93 106.285 178.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -135.02 105.01 6.17 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.121 -1.066 . . . . 40.12 108.121 -178.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -74.84 156.97 35.89 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 107.179 -1.415 . . . . 34.63 107.179 -179.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -93.2 -164.07 1.13 Allowed 'General case' 0 C--O 1.24 0.566 0 N-CA-C 106.549 -1.649 . . . . 35.71 106.549 177.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.3 pttm -91.16 -1.6 57.7 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 118.801 2.889 . . . . 84.42 118.801 -177.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -105.93 -140.78 10.17 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.761 -0.936 . . . . 33.92 110.761 178.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.732 ' HG3' ' O ' ' A' ' 236' ' ' HOH . 0.0 OUTLIER -64.86 144.33 57.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.882 0.848 . . . . 48.69 112.642 179.47 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.602 HH11 ' HG3' ' A' ' 81' ' ' ARG . 19.2 mtt85 -98.12 -6.19 32.09 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 114.138 1.162 . . . . 78.5 114.138 -178.271 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' A' ' 87' ' ' ARG . 46.8 p -137.85 152.79 49.43 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.027 -0.731 . . . . 35.89 109.027 178.186 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -97.69 -179.35 4.42 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 107.497 -1.297 . . . . 35.79 107.497 176.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -56.1 -23.44 34.14 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 117.616 2.451 . . . . 57.13 117.616 -179.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -92.12 7.88 40.41 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.902 0.334 . . . . 36.15 111.902 179.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.77 14.14 82.37 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.178 -1.01 . . . . 31.92 115.391 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.451 ' O ' ' HA ' ' A' ' 82' ' ' THR . 84.5 mtm180 -85.06 137.83 32.81 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 117.372 0.586 . . . . 32.79 111.191 179.567 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -70.53 134.73 24.55 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 109.073 -1.611 . . . . 30.78 109.073 178.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.0 mt -103.76 109.46 21.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 117.017 0.408 . . . . 30.55 110.247 -179.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -154.09 175.42 13.45 Favored 'General case' 0 C--O 1.248 0.981 0 N-CA-C 116.408 2.003 . . . . 34.82 116.408 -177.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -100.94 124.65 46.96 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 100.936 -3.728 . . . . 30.13 100.936 175.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.701 HG21 ' H32' ' A' ' 23' ' ' BUC . 95.1 mt -110.86 132.16 60.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 C-N-CA 119.193 -1.003 . . . . 34.32 110.567 -178.414 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -110.99 133.29 53.5 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.114 -0.948 . . . . 32.44 112.565 -179.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -114.74 110.82 20.31 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 103.85 -2.648 . . . . 31.54 103.85 178.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 51.24 47.76 24.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 122.234 1.016 . . . . 44.72 110.564 -177.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.58 -1.38 61.84 Favored Glycine 0 N--CA 1.44 -1.036 0 CA-C-N 114.088 -1.415 . . . . 38.88 116.389 178.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -104.27 127.35 51.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 118.456 1.128 . . . . 68.54 110.559 179.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 21.4 ttm -72.26 114.66 10.61 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 113.54 0.941 . . . . 31.18 113.54 -178.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.8 t -58.04 -39.65 73.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 112.234 0.457 . . . . 32.06 112.234 179.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.73 -49.54 72.78 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.768 0.318 . . . . 29.26 110.6 -178.766 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.575 ' HG3' ' NE2' ' A' ' 124' ' ' HIS . 16.7 tm-20 -68.4 -44.56 74.79 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.935 -0.575 . . . . 48.79 111.213 -179.755 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.9 -50.48 34.87 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 122.664 0.386 . . . . 35.2 110.988 178.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 39.2 mt -62.11 -44.78 95.9 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.489 0.662 . . . . 35.05 112.37 -179.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 91.7 t -63.02 -43.39 99.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.137 -0.69 . . . . 34.84 109.137 -179.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 38.1 tpt85 -58.28 -33.07 69.04 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 113.807 1.04 . . . . 40.73 113.807 -179.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -87.36 -1.86 58.22 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.309 0.855 . . . . 42.35 113.309 179.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.489 ' O ' ' HB2' ' A' ' 138' ' ' ASN . . . 72.69 32.15 61.85 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 119.298 -1.429 . . . . 36.28 110.571 -178.427 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 74.1 mt -108.19 2.74 23.04 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.112 0.782 . . . . 38.24 113.112 178.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -158.15 155.76 29.68 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.772 -1.196 . . . . 37.04 107.772 179.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.02 151.36 30.74 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 105.672 -1.973 . . . . 67.45 105.672 178.646 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 45.2 t -74.56 120.45 23.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.561 0 N-CA-C 103.005 -2.961 . . . . 41.5 103.005 176.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -146.92 173.0 12.83 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 120.92 0.391 . . . . 39.96 110.949 -178.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 50.6 51.91 15.94 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 124.27 1.028 . . . . 36.61 113.253 178.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 41.7 t -84.23 91.21 2.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.756 -0.657 . . . . 44.24 110.281 -179.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -105.3 127.79 53.13 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 108.828 -0.805 . . . . 49.59 108.828 179.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -79.2 150.44 74.29 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 106.9 -1.519 . . . . 82.09 106.9 178.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -90.43 20.53 33.02 Favored 'Cis proline' 0 CA--C 1.54 0.803 0 O-C-N 121.818 0.378 . . . . 41.93 112.952 -0.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -86.26 62.63 7.54 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.854 -0.424 . . . . 36.18 109.854 179.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 41.4 p-10 -143.4 24.4 1.76 Allowed 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 115.968 1.84 . . . . 52.7 115.968 -178.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 92.0 m -47.89 -41.33 24.17 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 115.687 1.736 . . . . 38.34 115.687 -179.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -99.32 16.65 22.31 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 115.69 1.737 . . . . 39.88 115.69 -178.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -54.63 -49.7 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 116.236 1.939 . . . . 50.97 116.236 -178.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -66.75 -34.42 77.81 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.607 0.595 . . . . 64.95 112.607 -178.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.575 ' NE2' ' HG3' ' A' ' 101' ' ' GLU . 59.4 t60 -63.26 -51.04 67.79 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 108.857 -0.794 . . . . 44.77 108.857 178.214 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.7 -33.44 75.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.686 0.755 . . . . 35.29 110.695 179.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 67.4 mtt-85 -67.06 -43.95 81.39 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 118.84 -1.144 . . . . 56.73 111.285 179.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.5 pttp -61.83 -33.51 74.28 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 119.081 -1.048 . . . . 63.35 110.872 -179.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 73.6 m -72.27 -32.89 67.04 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 120.53 -0.468 . . . . 43.66 110.854 179.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -70.19 -36.92 74.97 Favored 'General case' 0 C--O 1.246 0.874 0 CA-C-O 120.52 0.2 . . . . 41.55 110.684 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.88 97.66 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 109.054 -0.721 . . . . 34.07 109.054 178.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -65.77 -43.02 90.07 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.841 -0.618 . . . . 46.81 111.552 179.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -64.44 -40.85 96.54 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 109.83 -0.434 . . . . 41.81 109.83 178.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.447 ' HG3' ' CD2' ' A' ' 140' ' ' TRP . 20.3 mtpt -63.29 -49.66 73.16 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 108.613 -0.884 . . . . 65.34 108.613 178.513 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 23.1 ttmt -51.68 -38.79 56.57 Favored 'General case' 0 C--O 1.226 -0.152 0 C-N-CA 125.571 1.548 . . . . 78.45 110.411 178.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -92.97 3.97 54.81 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.067 -0.515 . . . . 44.77 111.827 179.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm 52.9 43.58 31.42 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 123.658 0.783 . . . . 87.03 112.23 178.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 69.3 mt -78.88 135.75 37.1 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 114.64 1.348 . . . . 42.37 114.64 -179.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.489 ' HB2' ' O ' ' A' ' 107' ' ' GLY . 69.7 m-80 36.82 -105.39 0.04 OUTLIER 'General case' 0 C--O 1.22 -0.487 0 N-CA-C 115.372 1.619 . . . . 51.53 115.372 176.574 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 13.4 mt -47.74 -27.74 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 122.371 0.268 . . . . 44.54 111.63 179.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.447 ' CD2' ' HG3' ' A' ' 133' ' ' LYS . 55.7 m95 -96.46 8.17 44.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 116.067 1.877 . . . . 56.88 116.067 -178.511 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 67.4 p . . . . . 0 C--O 1.251 1.17 0 CA-C-O 117.983 -1.008 . . . . 68.4 108.824 179.74 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' ' CA' . . . . . 0.838 'CA ' ' O ' ' A' ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' THP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . 0.732 ' O ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 243' ' ' HOH . . . . . 0.838 ' O ' 'CA ' ' A' ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 245' ' ' HOH . . . . . 0.481 ' O ' ' N ' ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_