data_1cjr_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 1cjr _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt . . . . . 0 N--CA 1.496 1.864 0 N-CA-C 110.073 -0.343 . . . . 74.4 110.073 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -122.1 155.9 34.74 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 125.457 1.503 . . . . 62.43 107.731 178.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.1 p -76.64 162.15 27.97 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.786 -0.766 . . . . 40.19 110.802 -179.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.4 -33.27 72.25 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 114.845 1.424 . . . . 36.31 114.845 -178.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.66 -29.77 59.2 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.318 -1.31 . . . . 30.3 108.735 179.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.51 -42.71 64.51 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-N 117.364 0.075 . . . . 23.93 111.095 -179.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . 0.466 ' CE ' ' H2 ' ' B' ' 212' ' ' HOH . 20.2 ttpp -64.43 -41.8 96.38 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 107.192 -1.41 . . . . 56.78 107.192 -178.829 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -58.77 -48.22 81.99 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-O 121.476 0.655 . . . . 28.05 109.333 179.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -61.19 -41.11 96.23 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.508 -0.769 . . . . 38.02 112.637 -178.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.0 ttp85 -69.38 -35.55 75.92 Favored 'General case' 0 C--O 1.212 -0.887 0 O-C-N 124.553 1.158 . . . . 50.76 109.06 -179.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -87.11 -35.56 18.6 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 116.211 1.93 . . . . 44.6 116.211 -178.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' HIS . . . . . 0.474 ' NE2' ' O4 ' ' A' ' 125' ' ' SO4 . 44.4 m-70 -110.13 -17.2 13.61 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 118.332 2.716 . . . . 24.99 118.332 -176.965 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 83.3 mmm -87.11 132.94 33.69 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 118.459 2.763 . . . . 32.89 118.459 -177.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -154.85 69.79 0.75 Allowed 'General case' 0 CA--C 1.482 -1.671 0 N-CA-C 106.411 -1.7 . . . . 43.63 106.411 178.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 112.957 -1.928 . . . . 64.2 108.16 178.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 . . . . . 0 N--CA 1.487 1.396 0 N-CA-C 114.429 1.27 . . . . 46.84 114.429 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -53.23 -40.09 64.29 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.728 0.775 . . . . 37.22 112.325 -179.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' CYS . . . . . 0.447 ' O ' ' CG ' ' B' ' 30' ' ' MET . 82.4 m -70.67 -33.81 71.35 Favored 'General case' 0 N--CA 1.423 -1.797 0 C-N-CA 116.71 -1.996 . . . . 28.82 112.752 -177.56 -70.77 -92.121 -63.91 102.637 2.046 103.252 -79.815 -53.207 2 2 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -69.53 -40.88 76.62 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 108.815 -0.809 . . . . 45.02 108.815 177.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -67.25 -50.63 59.81 Favored 'General case' 0 N--CA 1.419 -1.999 0 CA-C-N 113.427 -1.715 . . . . 51.54 112.613 179.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 11.5 mmt -65.72 -38.26 88.68 Favored 'General case' 0 CA--C 1.508 -0.636 0 O-C-N 121.23 -0.918 . . . . 37.14 112.356 178.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' MET . . . . . 0.447 ' CG ' ' O ' ' B' ' 26' ' ' CYS . 61.8 mmm -67.96 -34.59 76.85 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 108.524 -0.917 . . . . 34.64 108.524 -177.811 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -63.32 1.21 Allowed 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 106.195 -1.78 . . . . 80.67 106.195 179.097 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 40.4 m -42.23 -49.98 4.94 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 117.949 2.574 . . . . 43.05 117.949 -178.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 25.4 mmt85 -80.48 5.47 15.08 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 115.626 1.713 . . . . 32.26 115.626 179.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 70.86 32.39 2.42 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 121.652 0.739 . . . . 68.64 111.84 179.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 10.3 mt -96.86 -18.2 19.69 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.676 0.751 . . . . 42.68 112.395 -178.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 81.2 p -135.95 28.92 3.16 Favored 'General case' 0 C--O 1.207 -1.134 0 N-CA-C 114.255 1.206 . . . . 42.07 114.255 -179.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' LYS . . . . . 0.743 ' HZ2' ' H2 ' ' B' ' 207' ' ' HOH . 6.4 mtmt -84.92 -29.52 25.09 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 115.331 1.604 . . . . 59.89 115.331 178.38 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -126.98 7.22 6.62 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.791 1.034 . . . . 62.88 113.791 -178.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 3.9 ttp180 -177.86 151.15 0.68 Allowed 'General case' 0 C--O 1.242 0.66 0 O-C-N 124.6 1.187 . . . . 75.09 108.242 -177.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 72.0 m -96.64 111.93 23.88 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 106.346 -1.724 . . . . 39.49 106.346 177.598 -62.126 -53.158 -92.246 105.569 2.02 99.86 -59.317 -44.543 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -74.61 121.54 85.48 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 106.647 -1.612 . . . . 34.17 106.647 178.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -51.19 -57.74 2.05 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 120.959 1.106 . . . . 21.3 114.651 -178.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.57 147.41 30.96 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.234 0 N-CA-C 113.491 0.923 . . . . 22.27 113.491 -176.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -158.76 135.37 9.44 Favored 'General case' 0 C--O 1.207 -1.132 0 N-CA-C 114.074 1.139 . . . . 21.79 114.074 177.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 38.8 m -112.13 134.38 53.71 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 119.431 -0.908 . . . . 23.23 113.048 179.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -110.66 125.82 53.85 Favored 'General case' 0 C--O 1.243 0.741 0 N-CA-C 106.775 -1.565 . . . . 22.25 106.775 -179.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 3.2 t -94.49 124.34 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.382 0.673 . . . . 21.79 111.275 178.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -93.42 57.98 2.72 Favored 'General case' 0 CA--C 1.551 1.008 0 O-C-N 125.011 1.444 . . . . 30.71 110.667 -179.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -141.05 163.83 31.91 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 107.671 -1.233 . . . . 36.04 107.671 178.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' SER . . . . . 0.679 ' H ' ' H1 ' ' B' ' 214' ' ' HOH . 57.1 p -69.22 149.06 48.98 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 108.48 -0.934 . . . . 26.65 108.48 178.777 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 55.7 tp -59.4 -36.47 75.89 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 119.369 -0.932 . . . . 37.61 111.792 -179.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.34 -39.17 89.58 Favored 'General case' 0 CA--C 1.481 -1.701 0 CA-C-N 115.665 -0.698 . . . . 23.79 112.078 -178.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -74.52 -26.61 60.09 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 116.009 1.855 . . . . 52.87 116.009 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.6 t -84.23 -35.25 10.61 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 N-CA-C 107.045 -1.465 . . . . 21.59 107.045 178.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -64.47 -30.93 71.96 Favored 'General case' 0 C--O 1.202 -1.419 0 N-CA-C 107.96 -1.126 . . . . 36.87 107.96 177.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.96 -15.03 61.72 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.427 0.899 . . . . 18.86 113.427 179.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 19.2 t -69.46 -23.74 26.7 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.192 0 C-N-CA 119.694 -0.803 . . . . 19.38 112.321 -179.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 69.5 m -66.85 -9.58 39.04 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 115.742 1.756 . . . . 23.96 115.742 -179.048 -71.603 -73.801 -87.061 102.123 2.027 101.756 -115.119 -40.662 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 87.3 p -117.47 15.55 14.69 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 123.602 0.564 . . . . 25.61 109.61 178.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -97.38 -141.01 0.29 Allowed 'General case' 0 C--O 1.248 1.016 0 CA-C-O 121.614 0.721 . . . . 32.25 111.261 -179.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -61.4 109.01 1.04 Allowed 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 115.305 1.594 . . . . 75.12 115.305 179.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -81.64 130.11 34.94 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 119.918 -0.713 . . . . 32.59 111.597 -179.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 26.9 m -135.88 169.24 21.05 Favored 'Isoleucine or valine' 0 C--O 1.245 0.823 0 CA-C-N 114.857 -1.065 . . . . 35.75 109.469 -178.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.03 154.54 26.82 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 107.604 -1.258 . . . . 39.28 107.604 179.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' CYS . . . . . . . . . . . . . 85.7 m -94.88 159.62 14.96 Favored 'General case' 0 N--CA 1.419 -1.992 0 N-CA-C 104.52 -2.4 . . . . 41.98 104.52 179.92 -67.714 -52.45 115.47 103.594 2.023 102.439 83.267 -83.782 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -51.98 -28.98 18.68 Favored 'General case' 0 CA--C 1.57 1.729 0 O-C-N 123.781 0.675 . . . . 70.55 111.521 177.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -92.19 23.3 3.9 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.354 0.872 . . . . 74.03 113.354 -179.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.38 -44.93 3.39 Favored Glycine 0 C--O 1.213 -1.169 0 C-N-CA 118.613 -1.756 . . . . 65.09 114.53 -179.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -52.14 157.22 1.4 Allowed 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 118.404 1.102 . . . . 56.39 113.063 -179.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 2.6 p -120.91 33.38 5.59 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 117.253 2.316 . . . . 61.5 117.253 -178.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -99.29 33.53 2.41 Favored 'General case' 0 C--O 1.205 -1.267 0 N-CA-C 107.846 -1.168 . . . . 42.81 107.846 177.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' CYS . . . . . . . . . . . . . 9.6 m -109.27 143.73 38.34 Favored 'General case' 0 C--O 1.248 1.017 0 N-CA-C 104.639 -2.356 . . . . 28.05 104.639 178.947 -83.782 83.267 115.47 102.439 2.023 103.594 -52.45 -67.714 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -134.15 147.1 50.75 Favored 'General case' 0 CA--C 1.564 1.504 0 O-C-N 124.964 1.415 . . . . 42.3 111.867 178.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -114.64 131.46 56.71 Favored 'General case' 0 N--CA 1.434 -1.253 0 CA-C-N 115.329 -0.85 . . . . 44.16 109.306 -178.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 86.8 p -63.84 141.03 58.92 Favored 'General case' 0 C--O 1.253 1.251 0 CA-C-N 115.912 -0.585 . . . . 28.46 110.109 178.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -66.7 -36.46 82.55 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 124.337 1.023 . . . . 33.67 109.504 177.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 36.9 p -106.85 177.3 4.9 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 115.53 -0.759 . . . . 27.35 109.284 179.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 45.3 p -99.15 152.21 20.13 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 102.284 -3.228 . . . . 26.51 102.284 177.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 12.1 mtt -129.22 156.22 44.3 Favored 'General case' 0 N--CA 1.435 -1.208 0 N-CA-C 107.186 -1.412 . . . . 29.9 107.186 179.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 13.7 t -74.86 123.37 24.91 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 107.775 -1.194 . . . . 33.46 107.775 177.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 6.6 pt -138.2 156.59 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 N-CA-C 108.218 -1.03 . . . . 37.09 108.218 -177.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' THR . . . . . 0.616 ' OG1' ' NE2' ' B' ' 101' ' ' GLN . 86.6 m -127.32 118.86 25.01 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 106.126 -1.805 . . . . 27.07 106.126 177.513 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -94.74 135.83 35.76 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 105.659 -1.978 . . . . 24.43 105.659 178.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.0 m -122.08 106.28 11.04 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 106.513 -1.662 . . . . 25.6 106.513 -179.947 -53.207 -79.815 -63.91 103.252 2.046 102.637 -92.121 -70.77 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -103.28 133.65 48.0 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 108.117 -1.068 . . . . 18.3 108.117 -178.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -74.28 146.15 43.43 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 107.456 -1.313 . . . . 31.03 107.456 178.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 41.5 p -74.09 174.85 8.09 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.948 -0.47 . . . . 35.87 110.139 179.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -75.19 -27.74 63.46 Favored Glycine 0 N--CA 1.444 -0.791 0 CA-C-N 115.476 -0.784 . . . . 48.05 111.432 178.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.8 -32.45 23.34 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 119.198 3.036 . . . . 53.6 119.198 -177.511 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 2.2 t -53.98 131.88 41.22 Favored 'General case' 0 C--O 1.252 1.225 0 CA-C-N 114.105 -1.407 . . . . 49.57 111.337 178.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.49 140.07 25.94 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 113.358 -1.746 . . . . 85.6 106.645 177.538 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -60.92 144.74 89.99 Favored Pre-proline 0 CA--C 1.563 1.45 0 N-CA-C 108.103 -1.073 . . . . 37.71 108.103 176.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER -84.09 10.59 46.82 Favored 'Cis proline' 0 C--N 1.313 -1.32 0 N-CA-C 118.304 2.386 . . . . 44.15 118.304 -0.138 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -105.92 75.16 1.1 Allowed 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 118.588 -0.72 . . . . 80.35 111.953 -178.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' CYS . . . . . . . . . . . . . 9.1 m -69.16 148.56 49.74 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.785 0.834 . . . . 44.18 113.123 178.885 -44.543 -59.317 -92.246 99.86 2.02 105.569 -53.158 -62.126 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -140.92 134.28 29.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.199 -0.909 . . . . 41.34 111.286 177.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -121.61 145.26 48.16 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 114.167 1.173 . . . . 25.87 114.167 -176.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' LYS . . . . . 0.617 ' HZ1' ' H1 ' ' B' ' 205' ' ' HOH . 0.0 OUTLIER -100.55 128.21 46.68 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 101.722 -3.436 . . . . 57.88 101.722 176.704 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 27.5 m -96.65 115.47 27.48 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 114.359 1.244 . . . . 34.63 114.359 -178.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 4.3 m -119.12 111.02 17.74 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 122.164 0.983 . . . . 33.94 110.603 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' GLN . . . . . 0.616 ' NE2' ' OG1' ' B' ' 82' ' ' THR . 7.8 tp-100 -91.56 139.92 30.24 Favored 'General case' 0 C--N 1.314 -0.954 0 O-C-N 121.169 -0.957 . . . . 43.77 110.822 179.546 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -162.48 173.24 14.29 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 114.999 1.481 . . . . 38.07 114.999 -179.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -127.82 109.19 11.38 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 106.032 -1.84 . . . . 65.31 106.032 177.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' LYS . . . . . 0.63 ' HZ2' ' HG ' ' B' ' 123' ' ' SER . 12.3 mtpt -140.35 166.82 23.66 Favored 'General case' 0 CA--C 1.563 1.471 0 C-N-CA 120.38 -0.528 . . . . 71.09 111.381 -178.255 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -78.54 128.04 32.99 Favored 'General case' 0 C--O 1.208 -1.086 0 N-CA-C 103.39 -2.819 . . . . 37.67 103.39 178.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 22.5 pt -90.26 154.75 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 N-CA-C 105.691 -1.966 . . . . 22.9 105.691 -177.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' ILE . . . . . . . . . . . . . 3.1 mt -126.55 129.15 71.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 N-CA-C 101.654 -3.461 . . . . 24.72 101.654 175.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 34.8 m -134.09 164.59 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 125.556 1.785 . . . . 29.53 108.159 -178.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -114.69 139.58 49.55 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 102.147 -3.279 . . . . 27.53 102.147 179.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 4.2 m -121.89 150.53 41.84 Favored 'General case' 0 CA--C 1.559 1.302 0 N-CA-C 114.601 1.334 . . . . 29.77 114.601 -178.5 -40.662 -115.119 -87.061 101.756 2.027 102.123 -73.801 -71.603 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -159.88 160.79 34.06 Favored 'General case' 0 CA--C 1.484 -1.588 0 N-CA-C 106.574 -1.639 . . . . 79.15 106.574 -178.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 83.27 178.93 52.33 Favored Glycine 0 C--O 1.239 0.412 0 O-C-N 125.903 2.002 . . . . 42.62 115.678 177.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -134.74 113.23 11.76 Favored Pre-proline 0 C--O 1.239 0.531 0 N-CA-C 102.977 -2.971 . . . . 52.81 102.977 176.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.35 149.74 85.26 Favored 'Cis proline' 0 C--N 1.354 0.825 0 C-N-CA 123.666 -1.389 . . . . 36.78 111.055 1.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -70.19 111.63 5.96 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 106.365 -1.717 . . . . 35.39 106.365 179.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 23.8 m -137.17 161.02 63.56 Favored Pre-proline 0 N--CA 1.473 0.71 0 N-CA-C 107.254 -1.387 . . . . 32.64 107.254 -175.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -66.36 138.22 50.0 Favored 'Trans proline' 0 C--N 1.371 1.763 0 C-N-CA 124.458 3.438 . . . . 21.09 106.986 179.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 16.8 m -125.21 -23.68 2.03 Favored 'Isoleucine or valine' 0 C--O 1.248 1.014 0 C-N-CA 124.267 1.027 . . . . 26.5 109.485 177.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -142.42 143.03 32.46 Favored 'General case' 0 N--CA 1.501 2.107 0 CA-C-O 121.491 0.662 . . . . 51.7 110.889 -178.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -93.17 123.52 36.49 Favored 'General case' 0 CA--C 1.5 -0.976 0 N-CA-C 101.645 -3.465 . . . . 47.62 101.645 177.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -98.73 -25.26 14.73 Favored 'General case' 0 CA--C 1.503 -0.837 0 O-C-N 123.881 0.738 . . . . 61.0 112.36 -177.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . 168.68 -173.36 0.02 OUTLIER 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.86 0.725 . . . . 61.25 112.813 -179.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' SER . . . . . 0.63 ' HG ' ' HZ2' ' B' ' 104' ' ' LYS . 0.1 OUTLIER -144.84 98.48 3.19 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.744 1.218 . . . . 77.53 107.932 178.557 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 CA--C 1.582 2.183 0 CA-C-O 123.002 1.382 . . . . 66.77 113.213 -178.928 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' SO4 . . . . . 0.474 ' O4 ' ' NE2' ' A' ' 12' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . 0.617 ' H1 ' ' HZ1' ' B' ' 98' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . 0.743 ' H2 ' ' HZ2' ' B' ' 37' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . 0.466 ' H2 ' ' CE ' ' A' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' HOH . . . . . 0.679 ' H1 ' ' H ' ' B' ' 50' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 260' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' LYS . . . . . 0.416 ' HB3' ' H ' ' A' ' 2' ' ' GLU . 2.3 ttpt . . . . . 0 N--CA 1.496 1.864 0 N-CA-C 110.073 -0.343 . . . . 74.4 110.073 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . 0.416 ' H ' ' HB3' ' A' ' 1' ' ' LYS . 16.7 pt-20 -122.1 155.9 34.74 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 125.457 1.503 . . . . 62.43 107.731 178.207 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.1 p -76.64 162.15 27.97 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.786 -0.766 . . . . 40.19 110.802 -179.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.4 -33.27 72.25 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 114.845 1.424 . . . . 36.31 114.845 -178.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.66 -29.77 59.2 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.318 -1.31 . . . . 30.3 108.735 179.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.51 -42.71 64.51 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-N 117.364 0.075 . . . . 23.93 111.095 -179.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -64.43 -41.8 96.38 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 107.192 -1.41 . . . . 56.78 107.192 -178.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -58.77 -48.22 81.99 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-O 121.476 0.655 . . . . 28.05 109.333 179.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -61.19 -41.11 96.23 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.508 -0.769 . . . . 38.02 112.637 -178.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.0 ttp85 -69.38 -35.55 75.92 Favored 'General case' 0 C--O 1.212 -0.887 0 O-C-N 124.553 1.158 . . . . 50.76 109.06 -179.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLN . . . . . 0.664 ' HG2' HD21 ' B' ' 35' ' ' LEU . 91.3 mt-30 -87.11 -35.56 18.6 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 116.211 1.93 . . . . 44.6 116.211 -178.346 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -110.13 -17.2 13.61 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 118.332 2.716 . . . . 24.99 118.332 -176.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 83.3 mmm -87.11 132.94 33.69 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 118.459 2.763 . . . . 32.89 118.459 -177.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -154.85 69.79 0.75 Allowed 'General case' 0 CA--C 1.482 -1.671 0 N-CA-C 106.411 -1.7 . . . . 43.63 106.411 178.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 112.957 -1.928 . . . . 64.2 108.16 178.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 . . . . . 0 N--CA 1.487 1.396 0 N-CA-C 114.429 1.27 . . . . 46.84 114.429 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -53.23 -40.09 64.29 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.728 0.775 . . . . 37.22 112.325 -179.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' CYS . . . . . 0.658 ' O ' ' HG2' ' B' ' 30' ' ' MET . 82.4 m -70.67 -33.81 71.35 Favored 'General case' 0 N--CA 1.423 -1.797 0 C-N-CA 116.71 -1.996 . . . . 28.82 112.752 -177.56 -70.77 -92.121 -63.91 102.637 2.046 103.252 -79.815 -53.207 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -69.53 -40.88 76.62 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 108.815 -0.809 . . . . 45.02 108.815 177.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -67.25 -50.63 59.81 Favored 'General case' 0 N--CA 1.419 -1.999 0 CA-C-N 113.427 -1.715 . . . . 51.54 112.613 179.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 11.5 mmt -65.72 -38.26 88.68 Favored 'General case' 0 CA--C 1.508 -0.636 0 O-C-N 121.23 -0.918 . . . . 37.14 112.356 178.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' MET . . . . . 0.658 ' HG2' ' O ' ' B' ' 26' ' ' CYS . 61.8 mmm -67.96 -34.59 76.85 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 108.524 -0.917 . . . . 34.64 108.524 -177.811 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -63.32 1.21 Allowed 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 106.195 -1.78 . . . . 80.67 106.195 179.097 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 40.4 m -42.23 -49.98 4.94 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 117.949 2.574 . . . . 43.05 117.949 -178.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ARG . . . . . 0.528 ' O ' ' HB3' ' B' ' 34' ' ' ASN . 25.4 mmt85 -80.48 5.47 15.08 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 115.626 1.713 . . . . 32.26 115.626 179.912 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ASN . . . . . 0.528 ' HB3' ' O ' ' B' ' 33' ' ' ARG . 7.5 t-20 70.86 32.39 2.42 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 121.652 0.739 . . . . 68.64 111.84 179.437 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 35' ' ' LEU . . . . . 0.664 HD21 ' HG2' ' A' ' 11' ' ' GLN . 10.3 mt -96.86 -18.2 19.69 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.676 0.751 . . . . 42.68 112.395 -178.554 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 36' ' ' THR . . . . . 0.557 ' HA ' ' O ' ' B' ' 39' ' ' ARG . 81.2 p -135.95 28.92 3.16 Favored 'General case' 0 C--O 1.207 -1.134 0 N-CA-C 114.255 1.206 . . . . 42.07 114.255 -179.578 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 37' ' ' LYS . . . . . 0.416 ' HG3' ' HA ' ' B' ' 34' ' ' ASN . 6.4 mtmt -84.92 -29.52 25.09 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 115.331 1.604 . . . . 59.89 115.331 178.38 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -126.98 7.22 6.62 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.791 1.034 . . . . 62.88 113.791 -178.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ARG . . . . . 0.557 ' O ' ' HA ' ' B' ' 36' ' ' THR . 3.9 ttp180 -177.86 151.15 0.68 Allowed 'General case' 0 C--O 1.242 0.66 0 O-C-N 124.6 1.187 . . . . 75.09 108.242 -177.331 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 40' ' ' CYS . . . . . 0.553 ' N ' ' HG2' ' B' ' 39' ' ' ARG . 72.0 m -96.64 111.93 23.88 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 106.346 -1.724 . . . . 39.49 106.346 177.598 -62.126 -53.158 -92.246 105.569 2.02 99.86 -59.317 -44.543 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -74.61 121.54 85.48 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 106.647 -1.612 . . . . 34.17 106.647 178.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -51.19 -57.74 2.05 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 120.959 1.106 . . . . 21.3 114.651 -178.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.57 147.41 30.96 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.234 0 N-CA-C 113.491 0.923 . . . . 22.27 113.491 -176.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -158.76 135.37 9.44 Favored 'General case' 0 C--O 1.207 -1.132 0 N-CA-C 114.074 1.139 . . . . 21.79 114.074 177.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 38.8 m -112.13 134.38 53.71 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 119.431 -0.908 . . . . 23.23 113.048 179.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -110.66 125.82 53.85 Favored 'General case' 0 C--O 1.243 0.741 0 N-CA-C 106.775 -1.565 . . . . 22.25 106.775 -179.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 3.2 t -94.49 124.34 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.382 0.673 . . . . 21.79 111.275 178.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -93.42 57.98 2.72 Favored 'General case' 0 CA--C 1.551 1.008 0 O-C-N 125.011 1.444 . . . . 30.71 110.667 -179.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -141.05 163.83 31.91 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 107.671 -1.233 . . . . 36.04 107.671 178.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 57.1 p -69.22 149.06 48.98 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 108.48 -0.934 . . . . 26.65 108.48 178.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 55.7 tp -59.4 -36.47 75.89 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 119.369 -0.932 . . . . 37.61 111.792 -179.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.34 -39.17 89.58 Favored 'General case' 0 CA--C 1.481 -1.701 0 CA-C-N 115.665 -0.698 . . . . 23.79 112.078 -178.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -74.52 -26.61 60.09 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 116.009 1.855 . . . . 52.87 116.009 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.6 t -84.23 -35.25 10.61 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 N-CA-C 107.045 -1.465 . . . . 21.59 107.045 178.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -64.47 -30.93 71.96 Favored 'General case' 0 C--O 1.202 -1.419 0 N-CA-C 107.96 -1.126 . . . . 36.87 107.96 177.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.96 -15.03 61.72 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.427 0.899 . . . . 18.86 113.427 179.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' VAL . . . . . 0.431 ' O ' HG12 ' B' ' 57' ' ' VAL . 19.2 t -69.46 -23.74 26.7 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.192 0 C-N-CA 119.694 -0.803 . . . . 19.38 112.321 -179.023 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 69.5 m -66.85 -9.58 39.04 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 115.742 1.756 . . . . 23.96 115.742 -179.048 -71.603 -73.801 -87.061 102.123 2.027 101.756 -115.119 -40.662 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 87.3 p -117.47 15.55 14.69 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 123.602 0.564 . . . . 25.61 109.61 178.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -97.38 -141.01 0.29 Allowed 'General case' 0 C--O 1.248 1.016 0 CA-C-O 121.614 0.721 . . . . 32.25 111.261 -179.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -61.4 109.01 1.04 Allowed 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 115.305 1.594 . . . . 75.12 115.305 179.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -81.64 130.11 34.94 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 119.918 -0.713 . . . . 32.59 111.597 -179.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 26.9 m -135.88 169.24 21.05 Favored 'Isoleucine or valine' 0 C--O 1.245 0.823 0 CA-C-N 114.857 -1.065 . . . . 35.75 109.469 -178.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ALA . . . . . 0.529 ' HA ' HG22 ' B' ' 70' ' ' THR . . . -81.03 154.54 26.82 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 107.604 -1.258 . . . . 39.28 107.604 179.652 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 65' ' ' CYS . . . . . . . . . . . . . 85.7 m -94.88 159.62 14.96 Favored 'General case' 0 N--CA 1.419 -1.992 0 N-CA-C 104.52 -2.4 . . . . 41.98 104.52 179.92 -67.714 -52.45 115.47 103.594 2.023 102.439 83.267 -83.782 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -51.98 -28.98 18.68 Favored 'General case' 0 CA--C 1.57 1.729 0 O-C-N 123.781 0.675 . . . . 70.55 111.521 177.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -92.19 23.3 3.9 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.354 0.872 . . . . 74.03 113.354 -179.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.38 -44.93 3.39 Favored Glycine 0 C--O 1.213 -1.169 0 C-N-CA 118.613 -1.756 . . . . 65.09 114.53 -179.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -52.14 157.22 1.4 Allowed 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 118.404 1.102 . . . . 56.39 113.063 -179.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' THR . . . . . 0.529 HG22 ' HA ' ' B' ' 64' ' ' ALA . 2.6 p -120.91 33.38 5.59 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 117.253 2.316 . . . . 61.5 117.253 -178.786 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -99.29 33.53 2.41 Favored 'General case' 0 C--O 1.205 -1.267 0 N-CA-C 107.846 -1.168 . . . . 42.81 107.846 177.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' CYS . . . . . . . . . . . . . 9.6 m -109.27 143.73 38.34 Favored 'General case' 0 C--O 1.248 1.017 0 N-CA-C 104.639 -2.356 . . . . 28.05 104.639 178.947 -83.782 83.267 115.47 102.439 2.023 103.594 -52.45 -67.714 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -134.15 147.1 50.75 Favored 'General case' 0 CA--C 1.564 1.504 0 O-C-N 124.964 1.415 . . . . 42.3 111.867 178.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -114.64 131.46 56.71 Favored 'General case' 0 N--CA 1.434 -1.253 0 CA-C-N 115.329 -0.85 . . . . 44.16 109.306 -178.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 86.8 p -63.84 141.03 58.92 Favored 'General case' 0 C--O 1.253 1.251 0 CA-C-N 115.912 -0.585 . . . . 28.46 110.109 178.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -66.7 -36.46 82.55 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 124.337 1.023 . . . . 33.67 109.504 177.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 36.9 p -106.85 177.3 4.9 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 115.53 -0.759 . . . . 27.35 109.284 179.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' THR . . . . . 0.408 HG22 ' CD2' ' B' ' 105' ' ' HIS . 45.3 p -99.15 152.21 20.13 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 102.284 -3.228 . . . . 26.51 102.284 177.713 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 79' ' ' MET . . . . . 0.594 ' O ' ' HA ' ' B' ' 103' ' ' ASN . 12.1 mtt -129.22 156.22 44.3 Favored 'General case' 0 N--CA 1.435 -1.208 0 N-CA-C 107.186 -1.412 . . . . 29.9 107.186 179.369 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 13.7 t -74.86 123.37 24.91 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 107.775 -1.194 . . . . 33.46 107.775 177.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' ILE . . . . . 0.516 HD11 ' HD3' ' B' ' 104' ' ' LYS . 6.6 pt -138.2 156.59 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 N-CA-C 108.218 -1.03 . . . . 37.09 108.218 -177.993 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 86.6 m -127.32 118.86 25.01 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 106.126 -1.805 . . . . 27.07 106.126 177.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -94.74 135.83 35.76 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 105.659 -1.978 . . . . 24.43 105.659 178.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.0 m -122.08 106.28 11.04 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 106.513 -1.662 . . . . 25.6 106.513 -179.947 -53.207 -79.815 -63.91 103.252 2.046 102.637 -92.121 -70.77 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -103.28 133.65 48.0 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 108.117 -1.068 . . . . 18.3 108.117 -178.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' B' ' 96' ' ' ALA . 24.1 tt0 -74.28 146.15 43.43 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 107.456 -1.313 . . . . 31.03 107.456 178.797 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 41.5 p -74.09 174.85 8.09 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.948 -0.47 . . . . 35.87 110.139 179.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -75.19 -27.74 63.46 Favored Glycine 0 N--CA 1.444 -0.791 0 CA-C-N 115.476 -0.784 . . . . 48.05 111.432 178.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.8 -32.45 23.34 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 119.198 3.036 . . . . 53.6 119.198 -177.511 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 90' ' ' SER . . . . . 0.559 ' HB2' ' HB3' ' B' ' 96' ' ' ALA . 2.2 t -53.98 131.88 41.22 Favored 'General case' 0 C--O 1.252 1.225 0 CA-C-N 114.105 -1.407 . . . . 49.57 111.337 178.741 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 91' ' ' LYS . . . . . 0.471 ' HD2' ' O ' ' B' ' 92' ' ' TYR . 0.2 OUTLIER -146.49 140.07 25.94 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 113.358 -1.746 . . . . 85.6 106.645 177.538 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 92' ' ' TYR . . . . . 0.486 ' CG ' ' HA ' ' B' ' 93' ' ' PRO . 51.1 t80 -60.92 144.74 89.99 Favored Pre-proline 0 CA--C 1.563 1.45 0 N-CA-C 108.103 -1.073 . . . . 37.71 108.103 176.771 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 93' ' ' PRO . . . . . 0.486 ' HA ' ' CG ' ' B' ' 92' ' ' TYR . 0.5 OUTLIER -84.09 10.59 46.82 Favored 'Cis proline' 0 C--N 1.313 -1.32 0 N-CA-C 118.304 2.386 . . . . 44.15 118.304 -0.138 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 94' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -105.92 75.16 1.1 Allowed 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 118.588 -0.72 . . . . 80.35 111.953 -178.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' CYS . . . . . . . . . . . . . 9.1 m -69.16 148.56 49.74 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.785 0.834 . . . . 44.18 113.123 178.885 -44.543 -59.317 -92.246 99.86 2.02 105.569 -53.158 -62.126 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' ALA . . . . . 0.559 ' HB3' ' HB2' ' B' ' 90' ' ' SER . . . -140.92 134.28 29.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.199 -0.909 . . . . 41.34 111.286 177.505 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -121.61 145.26 48.16 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 114.167 1.173 . . . . 25.87 114.167 -176.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' LYS . . . . . 0.452 ' HB3' ' NZ ' ' B' ' 98' ' ' LYS . 0.0 OUTLIER -100.55 128.21 46.68 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 101.722 -3.436 . . . . 57.88 101.722 176.704 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 27.5 m -96.65 115.47 27.48 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 114.359 1.244 . . . . 34.63 114.359 -178.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 4.3 m -119.12 111.02 17.74 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 122.164 0.983 . . . . 33.94 110.603 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -91.56 139.92 30.24 Favored 'General case' 0 C--N 1.314 -0.954 0 O-C-N 121.169 -0.957 . . . . 43.77 110.822 179.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -162.48 173.24 14.29 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 114.999 1.481 . . . . 38.07 114.999 -179.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' ASN . . . . . 0.594 ' HA ' ' O ' ' B' ' 79' ' ' MET . 9.9 m120 -127.82 109.19 11.38 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 106.032 -1.84 . . . . 65.31 106.032 177.923 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 104' ' ' LYS . . . . . 0.516 ' HD3' HD11 ' B' ' 81' ' ' ILE . 12.3 mtpt -140.35 166.82 23.66 Favored 'General case' 0 CA--C 1.563 1.471 0 C-N-CA 120.38 -0.528 . . . . 71.09 111.381 -178.255 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HIS . . . . . 0.631 ' HB2' ' CG1' ' B' ' 124' ' ' VAL . 47.5 m-70 -78.54 128.04 32.99 Favored 'General case' 0 C--O 1.208 -1.086 0 N-CA-C 103.39 -2.819 . . . . 37.67 103.39 178.167 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 22.5 pt -90.26 154.75 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 N-CA-C 105.691 -1.966 . . . . 22.9 105.691 -177.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' ILE . . . . . 0.509 HG22 ' HB3' ' B' ' 121' ' ' ASP . 3.1 mt -126.55 129.15 71.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 N-CA-C 101.654 -3.461 . . . . 24.72 101.654 175.628 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 34.8 m -134.09 164.59 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 125.556 1.785 . . . . 29.53 108.159 -178.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -114.69 139.58 49.55 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 102.147 -3.279 . . . . 27.53 102.147 179.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 4.2 m -121.89 150.53 41.84 Favored 'General case' 0 CA--C 1.559 1.302 0 N-CA-C 114.601 1.334 . . . . 29.77 114.601 -178.5 -40.662 -115.119 -87.061 101.756 2.027 102.123 -73.801 -71.603 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -159.88 160.79 34.06 Favored 'General case' 0 CA--C 1.484 -1.588 0 N-CA-C 106.574 -1.639 . . . . 79.15 106.574 -178.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 83.27 178.93 52.33 Favored Glycine 0 C--O 1.239 0.412 0 O-C-N 125.903 2.002 . . . . 42.62 115.678 177.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -134.74 113.23 11.76 Favored Pre-proline 0 C--O 1.239 0.531 0 N-CA-C 102.977 -2.971 . . . . 52.81 102.977 176.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.35 149.74 85.26 Favored 'Cis proline' 0 C--N 1.354 0.825 0 C-N-CA 123.666 -1.389 . . . . 36.78 111.055 1.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -70.19 111.63 5.96 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 106.365 -1.717 . . . . 35.39 106.365 179.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 23.8 m -137.17 161.02 63.56 Favored Pre-proline 0 N--CA 1.473 0.71 0 N-CA-C 107.254 -1.387 . . . . 32.64 107.254 -175.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -66.36 138.22 50.0 Favored 'Trans proline' 0 C--N 1.371 1.763 0 C-N-CA 124.458 3.438 . . . . 21.09 106.986 179.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 16.8 m -125.21 -23.68 2.03 Favored 'Isoleucine or valine' 0 C--O 1.248 1.014 0 C-N-CA 124.267 1.027 . . . . 26.5 109.485 177.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -142.42 143.03 32.46 Favored 'General case' 0 N--CA 1.501 2.107 0 CA-C-O 121.491 0.662 . . . . 51.7 110.889 -178.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -93.17 123.52 36.49 Favored 'General case' 0 CA--C 1.5 -0.976 0 N-CA-C 101.645 -3.465 . . . . 47.62 101.645 177.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 121' ' ' ASP . . . . . 0.544 ' O ' ' HB2' ' B' ' 122' ' ' ALA . 1.2 t70 -98.73 -25.26 14.73 Favored 'General case' 0 CA--C 1.503 -0.837 0 O-C-N 123.881 0.738 . . . . 61.0 112.36 -177.686 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 122' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' B' ' 121' ' ' ASP . . . 168.68 -173.36 0.02 OUTLIER 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.86 0.725 . . . . 61.25 112.813 -179.991 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 123' ' ' SER . . . . . 0.426 ' CB ' ' HZ3' ' B' ' 104' ' ' LYS . 0.1 OUTLIER -144.84 98.48 3.19 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.744 1.218 . . . . 77.53 107.932 178.557 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 124' ' ' VAL . . . . . 0.631 ' CG1' ' HB2' ' B' ' 105' ' ' HIS . 6.1 p . . . . . 0 CA--C 1.582 2.183 0 CA-C-O 123.002 1.382 . . . . 66.77 113.213 -178.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 260' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.416 ' HB3' ' H ' ' A' ' 2' ' ' GLU . 2.3 ttpt . . . . . 0 N--CA 1.496 1.864 0 N-CA-C 110.073 -0.343 . . . . 74.4 110.073 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.416 ' H ' ' HB3' ' A' ' 1' ' ' LYS . 16.7 pt-20 -122.1 155.9 34.74 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 125.457 1.503 . . . . 62.43 107.731 178.207 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.1 p -76.64 162.15 27.97 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.786 -0.766 . . . . 40.19 110.802 -179.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.4 -33.27 72.25 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 114.845 1.424 . . . . 36.31 114.845 -178.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.66 -29.77 59.2 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.318 -1.31 . . . . 30.3 108.735 179.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.51 -42.71 64.51 Favored 'General case' 0 C--O 1.247 0.938 0 CA-C-N 117.364 0.075 . . . . 23.93 111.095 -179.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -64.43 -41.8 96.38 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 107.192 -1.41 . . . . 56.78 107.192 -178.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -58.77 -48.22 81.99 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-O 121.476 0.655 . . . . 28.05 109.333 179.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -61.19 -41.11 96.23 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.508 -0.769 . . . . 38.02 112.637 -178.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.0 ttp85 -69.38 -35.55 75.92 Favored 'General case' 0 C--O 1.212 -0.887 0 O-C-N 124.553 1.158 . . . . 50.76 109.06 -179.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.664 ' HG2' HD21 ' B' ' 35' ' ' LEU . 91.3 mt-30 -87.11 -35.56 18.6 Favored 'General case' 0 N--CA 1.434 -1.242 0 N-CA-C 116.211 1.93 . . . . 44.6 116.211 -178.346 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -110.13 -17.2 13.61 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 118.332 2.716 . . . . 24.99 118.332 -176.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 83.3 mmm -87.11 132.94 33.69 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 118.459 2.763 . . . . 32.89 118.459 -177.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -154.85 69.79 0.75 Allowed 'General case' 0 CA--C 1.482 -1.671 0 N-CA-C 106.411 -1.7 . . . . 43.63 106.411 178.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 112.957 -1.928 . . . . 64.2 108.16 178.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 . . . . . 0 N--CA 1.487 1.396 0 N-CA-C 114.429 1.27 . . . . 46.84 114.429 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -53.23 -40.09 64.29 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.728 0.775 . . . . 37.22 112.325 -179.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' CYS . . . . . 0.658 ' O ' ' HG2' ' B' ' 30' ' ' MET . 82.4 m -70.67 -33.81 71.35 Favored 'General case' 0 N--CA 1.423 -1.797 0 C-N-CA 116.71 -1.996 . . . . 28.82 112.752 -177.56 -70.77 -92.121 -63.91 102.637 2.046 103.252 -79.815 -53.207 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -69.53 -40.88 76.62 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 108.815 -0.809 . . . . 45.02 108.815 177.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -67.25 -50.63 59.81 Favored 'General case' 0 N--CA 1.419 -1.999 0 CA-C-N 113.427 -1.715 . . . . 51.54 112.613 179.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 11.5 mmt -65.72 -38.26 88.68 Favored 'General case' 0 CA--C 1.508 -0.636 0 O-C-N 121.23 -0.918 . . . . 37.14 112.356 178.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' MET . . . . . 0.658 ' HG2' ' O ' ' B' ' 26' ' ' CYS . 61.8 mmm -67.96 -34.59 76.85 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 108.524 -0.917 . . . . 34.64 108.524 -177.811 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -63.32 1.21 Allowed 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 106.195 -1.78 . . . . 80.67 106.195 179.097 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 40.4 m -42.23 -49.98 4.94 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 117.949 2.574 . . . . 43.05 117.949 -178.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.528 ' O ' ' HB3' ' B' ' 34' ' ' ASN . 25.4 mmt85 -80.48 5.47 15.08 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 115.626 1.713 . . . . 32.26 115.626 179.912 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ASN . . . . . 0.528 ' HB3' ' O ' ' B' ' 33' ' ' ARG . 7.5 t-20 70.86 32.39 2.42 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 121.652 0.739 . . . . 68.64 111.84 179.437 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.664 HD21 ' HG2' ' A' ' 11' ' ' GLN . 10.3 mt -96.86 -18.2 19.69 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.676 0.751 . . . . 42.68 112.395 -178.554 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' THR . . . . . 0.557 ' HA ' ' O ' ' B' ' 39' ' ' ARG . 81.2 p -135.95 28.92 3.16 Favored 'General case' 0 C--O 1.207 -1.134 0 N-CA-C 114.255 1.206 . . . . 42.07 114.255 -179.578 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.416 ' HG3' ' HA ' ' B' ' 34' ' ' ASN . 6.4 mtmt -84.92 -29.52 25.09 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 115.331 1.604 . . . . 59.89 115.331 178.38 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -126.98 7.22 6.62 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.791 1.034 . . . . 62.88 113.791 -178.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.557 ' O ' ' HA ' ' B' ' 36' ' ' THR . 3.9 ttp180 -177.86 151.15 0.68 Allowed 'General case' 0 C--O 1.242 0.66 0 O-C-N 124.6 1.187 . . . . 75.09 108.242 -177.331 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' CYS . . . . . 0.553 ' N ' ' HG2' ' B' ' 39' ' ' ARG . 72.0 m -96.64 111.93 23.88 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 106.346 -1.724 . . . . 39.49 106.346 177.598 -62.126 -53.158 -92.246 105.569 2.02 99.86 -59.317 -44.543 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -74.61 121.54 85.48 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 106.647 -1.612 . . . . 34.17 106.647 178.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -51.19 -57.74 2.05 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 120.959 1.106 . . . . 21.3 114.651 -178.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.57 147.41 30.96 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.234 0 N-CA-C 113.491 0.923 . . . . 22.27 113.491 -176.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -158.76 135.37 9.44 Favored 'General case' 0 C--O 1.207 -1.132 0 N-CA-C 114.074 1.139 . . . . 21.79 114.074 177.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 38.8 m -112.13 134.38 53.71 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 119.431 -0.908 . . . . 23.23 113.048 179.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -110.66 125.82 53.85 Favored 'General case' 0 C--O 1.243 0.741 0 N-CA-C 106.775 -1.565 . . . . 22.25 106.775 -179.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 3.2 t -94.49 124.34 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.382 0.673 . . . . 21.79 111.275 178.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -93.42 57.98 2.72 Favored 'General case' 0 CA--C 1.551 1.008 0 O-C-N 125.011 1.444 . . . . 30.71 110.667 -179.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -141.05 163.83 31.91 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 107.671 -1.233 . . . . 36.04 107.671 178.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 57.1 p -69.22 149.06 48.98 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 108.48 -0.934 . . . . 26.65 108.48 178.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 55.7 tp -59.4 -36.47 75.89 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 119.369 -0.932 . . . . 37.61 111.792 -179.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.34 -39.17 89.58 Favored 'General case' 0 CA--C 1.481 -1.701 0 CA-C-N 115.665 -0.698 . . . . 23.79 112.078 -178.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -74.52 -26.61 60.09 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 116.009 1.855 . . . . 52.87 116.009 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.6 t -84.23 -35.25 10.61 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 N-CA-C 107.045 -1.465 . . . . 21.59 107.045 178.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -64.47 -30.93 71.96 Favored 'General case' 0 C--O 1.202 -1.419 0 N-CA-C 107.96 -1.126 . . . . 36.87 107.96 177.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.96 -15.03 61.72 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.427 0.899 . . . . 18.86 113.427 179.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.431 ' O ' HG12 ' B' ' 57' ' ' VAL . 19.2 t -69.46 -23.74 26.7 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.192 0 C-N-CA 119.694 -0.803 . . . . 19.38 112.321 -179.023 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 69.5 m -66.85 -9.58 39.04 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 115.742 1.756 . . . . 23.96 115.742 -179.048 -71.603 -73.801 -87.061 102.123 2.027 101.756 -115.119 -40.662 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 87.3 p -117.47 15.55 14.69 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 123.602 0.564 . . . . 25.61 109.61 178.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -97.38 -141.01 0.29 Allowed 'General case' 0 C--O 1.248 1.016 0 CA-C-O 121.614 0.721 . . . . 32.25 111.261 -179.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -61.4 109.01 1.04 Allowed 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 115.305 1.594 . . . . 75.12 115.305 179.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -81.64 130.11 34.94 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 119.918 -0.713 . . . . 32.59 111.597 -179.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 26.9 m -135.88 169.24 21.05 Favored 'Isoleucine or valine' 0 C--O 1.245 0.823 0 CA-C-N 114.857 -1.065 . . . . 35.75 109.469 -178.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ALA . . . . . 0.529 ' HA ' HG22 ' B' ' 70' ' ' THR . . . -81.03 154.54 26.82 Favored 'General case' 0 CA--C 1.495 -1.143 0 N-CA-C 107.604 -1.258 . . . . 39.28 107.604 179.652 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' CYS . . . . . . . . . . . . . 85.7 m -94.88 159.62 14.96 Favored 'General case' 0 N--CA 1.419 -1.992 0 N-CA-C 104.52 -2.4 . . . . 41.98 104.52 179.92 -67.714 -52.45 115.47 103.594 2.023 102.439 83.267 -83.782 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 31.1 tttp -51.98 -28.98 18.68 Favored 'General case' 0 CA--C 1.57 1.729 0 O-C-N 123.781 0.675 . . . . 70.55 111.521 177.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -92.19 23.3 3.9 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.354 0.872 . . . . 74.03 113.354 -179.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.38 -44.93 3.39 Favored Glycine 0 C--O 1.213 -1.169 0 C-N-CA 118.613 -1.756 . . . . 65.09 114.53 -179.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -52.14 157.22 1.4 Allowed 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 118.404 1.102 . . . . 56.39 113.063 -179.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' THR . . . . . 0.529 HG22 ' HA ' ' B' ' 64' ' ' ALA . 2.6 p -120.91 33.38 5.59 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 117.253 2.316 . . . . 61.5 117.253 -178.786 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -99.29 33.53 2.41 Favored 'General case' 0 C--O 1.205 -1.267 0 N-CA-C 107.846 -1.168 . . . . 42.81 107.846 177.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' CYS . . . . . . . . . . . . . 9.6 m -109.27 143.73 38.34 Favored 'General case' 0 C--O 1.248 1.017 0 N-CA-C 104.639 -2.356 . . . . 28.05 104.639 178.947 -83.782 83.267 115.47 102.439 2.023 103.594 -52.45 -67.714 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -134.15 147.1 50.75 Favored 'General case' 0 CA--C 1.564 1.504 0 O-C-N 124.964 1.415 . . . . 42.3 111.867 178.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -114.64 131.46 56.71 Favored 'General case' 0 N--CA 1.434 -1.253 0 CA-C-N 115.329 -0.85 . . . . 44.16 109.306 -178.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 86.8 p -63.84 141.03 58.92 Favored 'General case' 0 C--O 1.253 1.251 0 CA-C-N 115.912 -0.585 . . . . 28.46 110.109 178.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -66.7 -36.46 82.55 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 124.337 1.023 . . . . 33.67 109.504 177.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 36.9 p -106.85 177.3 4.9 Favored 'General case' 0 CA--C 1.553 1.063 0 CA-C-N 115.53 -0.759 . . . . 27.35 109.284 179.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' THR . . . . . 0.408 HG22 ' CD2' ' B' ' 105' ' ' HIS . 45.3 p -99.15 152.21 20.13 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 102.284 -3.228 . . . . 26.51 102.284 177.713 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' MET . . . . . 0.594 ' O ' ' HA ' ' B' ' 103' ' ' ASN . 12.1 mtt -129.22 156.22 44.3 Favored 'General case' 0 N--CA 1.435 -1.208 0 N-CA-C 107.186 -1.412 . . . . 29.9 107.186 179.369 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 13.7 t -74.86 123.37 24.91 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 107.775 -1.194 . . . . 33.46 107.775 177.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.516 HD11 ' HD3' ' B' ' 104' ' ' LYS . 6.6 pt -138.2 156.59 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 N-CA-C 108.218 -1.03 . . . . 37.09 108.218 -177.993 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' THR . . . . . 0.616 ' OG1' ' NE2' ' B' ' 101' ' ' GLN . 86.6 m -127.32 118.86 25.01 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 106.126 -1.805 . . . . 27.07 106.126 177.513 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -94.74 135.83 35.76 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 105.659 -1.978 . . . . 24.43 105.659 178.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 51.0 m -122.08 106.28 11.04 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 106.513 -1.662 . . . . 25.6 106.513 -179.947 -53.207 -79.815 -63.91 103.252 2.046 102.637 -92.121 -70.77 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -103.28 133.65 48.0 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 108.117 -1.068 . . . . 18.3 108.117 -178.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' B' ' 96' ' ' ALA . 24.1 tt0 -74.28 146.15 43.43 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 107.456 -1.313 . . . . 31.03 107.456 178.797 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' THR . . . . . . . . . . . . . 41.5 p -74.09 174.85 8.09 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.948 -0.47 . . . . 35.87 110.139 179.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -75.19 -27.74 63.46 Favored Glycine 0 N--CA 1.444 -0.791 0 CA-C-N 115.476 -0.784 . . . . 48.05 111.432 178.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.8 -32.45 23.34 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 119.198 3.036 . . . . 53.6 119.198 -177.511 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' SER . . . . . 0.559 ' HB2' ' HB3' ' B' ' 96' ' ' ALA . 2.2 t -53.98 131.88 41.22 Favored 'General case' 0 C--O 1.252 1.225 0 CA-C-N 114.105 -1.407 . . . . 49.57 111.337 178.741 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' LYS . . . . . 0.471 ' HD2' ' O ' ' B' ' 92' ' ' TYR . 0.2 OUTLIER -146.49 140.07 25.94 Favored 'General case' 0 C--O 1.243 0.72 0 CA-C-N 113.358 -1.746 . . . . 85.6 106.645 177.538 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' TYR . . . . . 0.486 ' CG ' ' HA ' ' B' ' 93' ' ' PRO . 51.1 t80 -60.92 144.74 89.99 Favored Pre-proline 0 CA--C 1.563 1.45 0 N-CA-C 108.103 -1.073 . . . . 37.71 108.103 176.771 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' PRO . . . . . 0.486 ' HA ' ' CG ' ' B' ' 92' ' ' TYR . 0.5 OUTLIER -84.09 10.59 46.82 Favored 'Cis proline' 0 C--N 1.313 -1.32 0 N-CA-C 118.304 2.386 . . . . 44.15 118.304 -0.138 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -105.92 75.16 1.1 Allowed 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 118.588 -0.72 . . . . 80.35 111.953 -178.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' CYS . . . . . . . . . . . . . 9.1 m -69.16 148.56 49.74 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.785 0.834 . . . . 44.18 113.123 178.885 -44.543 -59.317 -92.246 99.86 2.02 105.569 -53.158 -62.126 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' ALA . . . . . 0.559 ' HB3' ' HB2' ' B' ' 90' ' ' SER . . . -140.92 134.28 29.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.199 -0.909 . . . . 41.34 111.286 177.505 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -121.61 145.26 48.16 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 114.167 1.173 . . . . 25.87 114.167 -176.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' LYS . . . . . 0.452 ' HB3' ' NZ ' ' B' ' 98' ' ' LYS . 0.0 OUTLIER -100.55 128.21 46.68 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 101.722 -3.436 . . . . 57.88 101.722 176.704 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 27.5 m -96.65 115.47 27.48 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 114.359 1.244 . . . . 34.63 114.359 -178.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 4.3 m -119.12 111.02 17.74 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 122.164 0.983 . . . . 33.94 110.603 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' GLN . . . . . 0.616 ' NE2' ' OG1' ' B' ' 82' ' ' THR . 7.8 tp-100 -91.56 139.92 30.24 Favored 'General case' 0 C--N 1.314 -0.954 0 O-C-N 121.169 -0.957 . . . . 43.77 110.822 179.546 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -162.48 173.24 14.29 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 114.999 1.481 . . . . 38.07 114.999 -179.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' ASN . . . . . 0.594 ' HA ' ' O ' ' B' ' 79' ' ' MET . 9.9 m120 -127.82 109.19 11.38 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 106.032 -1.84 . . . . 65.31 106.032 177.923 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' LYS . . . . . 0.516 ' HD3' HD11 ' B' ' 81' ' ' ILE . 12.3 mtpt -140.35 166.82 23.66 Favored 'General case' 0 CA--C 1.563 1.471 0 C-N-CA 120.38 -0.528 . . . . 71.09 111.381 -178.255 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HIS . . . . . 0.631 ' HB2' ' CG1' ' B' ' 124' ' ' VAL . 47.5 m-70 -78.54 128.04 32.99 Favored 'General case' 0 C--O 1.208 -1.086 0 N-CA-C 103.39 -2.819 . . . . 37.67 103.39 178.167 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 22.5 pt -90.26 154.75 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 N-CA-C 105.691 -1.966 . . . . 22.9 105.691 -177.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' ILE . . . . . 0.509 HG22 ' HB3' ' B' ' 121' ' ' ASP . 3.1 mt -126.55 129.15 71.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 N-CA-C 101.654 -3.461 . . . . 24.72 101.654 175.628 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' VAL . . . . . . . . . . . . . 34.8 m -134.09 164.59 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 125.556 1.785 . . . . 29.53 108.159 -178.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' ALA . . . . . . . . . . . . . . . -114.69 139.58 49.55 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 102.147 -3.279 . . . . 27.53 102.147 179.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 4.2 m -121.89 150.53 41.84 Favored 'General case' 0 CA--C 1.559 1.302 0 N-CA-C 114.601 1.334 . . . . 29.77 114.601 -178.5 -40.662 -115.119 -87.061 101.756 2.027 102.123 -73.801 -71.603 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -159.88 160.79 34.06 Favored 'General case' 0 CA--C 1.484 -1.588 0 N-CA-C 106.574 -1.639 . . . . 79.15 106.574 -178.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 83.27 178.93 52.33 Favored Glycine 0 C--O 1.239 0.412 0 O-C-N 125.903 2.002 . . . . 42.62 115.678 177.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -134.74 113.23 11.76 Favored Pre-proline 0 C--O 1.239 0.531 0 N-CA-C 102.977 -2.971 . . . . 52.81 102.977 176.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.35 149.74 85.26 Favored 'Cis proline' 0 C--N 1.354 0.825 0 C-N-CA 123.666 -1.389 . . . . 36.78 111.055 1.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -70.19 111.63 5.96 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 106.365 -1.717 . . . . 35.39 106.365 179.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' VAL . . . . . . . . . . . . . 23.8 m -137.17 161.02 63.56 Favored Pre-proline 0 N--CA 1.473 0.71 0 N-CA-C 107.254 -1.387 . . . . 32.64 107.254 -175.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -66.36 138.22 50.0 Favored 'Trans proline' 0 C--N 1.371 1.763 0 C-N-CA 124.458 3.438 . . . . 21.09 106.986 179.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 16.8 m -125.21 -23.68 2.03 Favored 'Isoleucine or valine' 0 C--O 1.248 1.014 0 C-N-CA 124.267 1.027 . . . . 26.5 109.485 177.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -142.42 143.03 32.46 Favored 'General case' 0 N--CA 1.501 2.107 0 CA-C-O 121.491 0.662 . . . . 51.7 110.889 -178.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -93.17 123.52 36.49 Favored 'General case' 0 CA--C 1.5 -0.976 0 N-CA-C 101.645 -3.465 . . . . 47.62 101.645 177.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' ASP . . . . . 0.544 ' O ' ' HB2' ' B' ' 122' ' ' ALA . 1.2 t70 -98.73 -25.26 14.73 Favored 'General case' 0 CA--C 1.503 -0.837 0 O-C-N 123.881 0.738 . . . . 61.0 112.36 -177.686 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' B' ' 121' ' ' ASP . . . 168.68 -173.36 0.02 OUTLIER 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.86 0.725 . . . . 61.25 112.813 -179.991 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' SER . . . . . 0.426 ' CB ' ' HZ3' ' B' ' 104' ' ' LYS . 0.1 OUTLIER -144.84 98.48 3.19 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.744 1.218 . . . . 77.53 107.932 178.557 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' VAL . . . . . 0.631 ' CG1' ' HB2' ' B' ' 105' ' ' HIS . 6.1 p . . . . . 0 CA--C 1.582 2.183 0 CA-C-O 123.002 1.382 . . . . 66.77 113.213 -178.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 260' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_